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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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/SNord17-2-932ba946/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNord17-2-932ba946/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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1142.234938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.234938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.234938 (E_RNA)
where:
Base-Base interactions energy: -476.948
where: short stacking energy: -466.834
Base-Backbone interact. energy: -0.667
local terms energy: -664.620406
where:
bonds (distance) C4'-P energy: -147.518
bonds (distance) P-C4' energy: -151.546
flat angles C4'-P-C4' energy: -143.385
flat angles P-C4'-P energy: -101.373
tors. eta vs tors. theta energy: -120.798
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1050.418242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.418242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.418242 (E_RNA)
where:
Base-Base interactions energy: -440.794
where: short stacking energy: -432.284
Base-Backbone interact. energy: -0.716
local terms energy: -608.908346
where:
bonds (distance) C4'-P energy: -136.198
bonds (distance) P-C4' energy: -152.648
flat angles C4'-P-C4' energy: -136.593
flat angles P-C4'-P energy: -88.222
tors. eta vs tors. theta energy: -95.248
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: 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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1229.818651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.818651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.818651 (E_RNA)
where:
Base-Base interactions energy: -529.888
where: short stacking energy: -522.113
Base-Backbone interact. energy: -0.467
local terms energy: -699.464237
where:
bonds (distance) C4'-P energy: -159.029
bonds (distance) P-C4' energy: -148.647
flat angles C4'-P-C4' energy: -162.465
flat angles P-C4'-P energy: -92.115
tors. eta vs tors. theta energy: -137.208
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: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1148.203368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.203368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.203368 (E_RNA)
where:
Base-Base interactions energy: -498.247
where: short stacking energy: -465.122
Base-Backbone interact. energy: -0.255
local terms energy: -649.701310
where:
bonds (distance) C4'-P energy: -146.611
bonds (distance) P-C4' energy: -143.639
flat angles C4'-P-C4' energy: -150.106
flat angles P-C4'-P energy: -90.446
tors. eta vs tors. theta energy: -118.899
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: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1104.401534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.401534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.401534 (E_RNA)
where:
Base-Base interactions energy: -477.325
where: short stacking energy: -448.326
Base-Backbone interact. energy: -0.872
local terms energy: -626.203972
where:
bonds (distance) C4'-P energy: -142.955
bonds (distance) P-C4' energy: -149.433
flat angles C4'-P-C4' energy: -141.024
flat angles P-C4'-P energy: -92.515
tors. eta vs tors. theta energy: -100.277
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: 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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1261.870757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.870757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.870757 (E_RNA)
where:
Base-Base interactions energy: -563.525
where: short stacking energy: -551.766
Base-Backbone interact. energy: -0.296
local terms energy: -698.049187
where:
bonds (distance) C4'-P energy: -138.691
bonds (distance) P-C4' energy: -150.801
flat angles C4'-P-C4' energy: -165.989
flat angles P-C4'-P energy: -98.056
tors. eta vs tors. theta energy: -144.513
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: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1188.009419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.009419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.009419 (E_RNA)
where:
Base-Base interactions energy: -550.854
where: short stacking energy: -450.533
Base-Backbone interact. energy: -3.357
local terms energy: -633.798404
where:
bonds (distance) C4'-P energy: -153.356
bonds (distance) P-C4' energy: -152.147
flat angles C4'-P-C4' energy: -147.330
flat angles P-C4'-P energy: -83.561
tors. eta vs tors. theta energy: -97.406
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: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1094.697788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.697788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.697788 (E_RNA)
where:
Base-Base interactions energy: -496.508
where: short stacking energy: -419.773
Base-Backbone interact. energy: -0.689
local terms energy: -597.500425
where:
bonds (distance) C4'-P energy: -134.811
bonds (distance) P-C4' energy: -152.971
flat angles C4'-P-C4' energy: -152.267
flat angles P-C4'-P energy: -62.842
tors. eta vs tors. theta energy: -94.610
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: 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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1264.236844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.236844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.236844 (E_RNA)
where:
Base-Base interactions energy: -609.431
where: short stacking energy: -541.943
Base-Backbone interact. energy: 1.197
local terms energy: -656.003204
where:
bonds (distance) C4'-P energy: -141.078
bonds (distance) P-C4' energy: -146.930
flat angles C4'-P-C4' energy: -134.735
flat angles P-C4'-P energy: -105.691
tors. eta vs tors. theta energy: -127.569
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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1293.463908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.463908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.463908 (E_RNA)
where:
Base-Base interactions energy: -638.496
where: short stacking energy: -521.558
Base-Backbone interact. energy: -1.236
local terms energy: -653.732230
where:
bonds (distance) C4'-P energy: -133.672
bonds (distance) P-C4' energy: -158.002
flat angles C4'-P-C4' energy: -153.978
flat angles P-C4'-P energy: -84.916
tors. eta vs tors. theta energy: -123.164
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: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1190.789417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.789417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.789417 (E_RNA)
where:
Base-Base interactions energy: -573.958
where: short stacking energy: -421.070
Base-Backbone interact. energy: -0.189
local terms energy: -616.641581
where:
bonds (distance) C4'-P energy: -147.997
bonds (distance) P-C4' energy: -140.698
flat angles C4'-P-C4' energy: -132.907
flat angles P-C4'-P energy: -108.455
tors. eta vs tors. theta energy: -86.584
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: 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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1397.173404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.173404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.173404 (E_RNA)
where:
Base-Base interactions energy: -692.597
where: short stacking energy: -574.955
Base-Backbone interact. energy: 0.004
local terms energy: -704.580407
where:
bonds (distance) C4'-P energy: -143.746
bonds (distance) P-C4' energy: -144.066
flat angles C4'-P-C4' energy: -158.375
flat angles P-C4'-P energy: -102.696
tors. eta vs tors. theta energy: -155.698
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: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1330.205354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.205354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.205354 (E_RNA)
where:
Base-Base interactions energy: -646.544
where: short stacking energy: -461.025
Base-Backbone interact. energy: 0.199
local terms energy: -683.860169
where:
bonds (distance) C4'-P energy: -158.729
bonds (distance) P-C4' energy: -159.202
flat angles C4'-P-C4' energy: -147.928
flat angles P-C4'-P energy: -104.718
tors. eta vs tors. theta energy: -113.283
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: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1222.223783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.223783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.223783 (E_RNA)
where:
Base-Base interactions energy: -606.888
where: short stacking energy: -437.085
Base-Backbone interact. energy: -0.635
local terms energy: -614.700671
where:
bonds (distance) C4'-P energy: -137.950
bonds (distance) P-C4' energy: -138.316
flat angles C4'-P-C4' energy: -140.750
flat angles P-C4'-P energy: -95.506
tors. eta vs tors. theta energy: -102.179
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: 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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1383.993141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.993141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.993141 (E_RNA)
where:
Base-Base interactions energy: -699.513
where: short stacking energy: -580.879
Base-Backbone interact. energy: -0.922
local terms energy: -683.558677
where:
bonds (distance) C4'-P energy: -135.583
bonds (distance) P-C4' energy: -148.221
flat angles C4'-P-C4' energy: -150.977
flat angles P-C4'-P energy: -99.642
tors. eta vs tors. theta energy: -149.135
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: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1338.966756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.966756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.966756 (E_RNA)
where:
Base-Base interactions energy: -699.620
where: short stacking energy: -511.379
Base-Backbone interact. energy: 1.313
local terms energy: -640.659846
where:
bonds (distance) C4'-P energy: -133.734
bonds (distance) P-C4' energy: -150.875
flat angles C4'-P-C4' energy: -136.361
flat angles P-C4'-P energy: -93.868
tors. eta vs tors. theta energy: -125.822
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: 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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1270.441411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.441411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.441411 (E_RNA)
where:
Base-Base interactions energy: -673.178
where: short stacking energy: -420.988
Base-Backbone interact. energy: -4.294
local terms energy: -592.969022
where:
bonds (distance) C4'-P energy: -139.195
bonds (distance) P-C4' energy: -134.088
flat angles C4'-P-C4' energy: -122.795
flat angles P-C4'-P energy: -107.079
tors. eta vs tors. theta energy: -89.813
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: 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: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1480.427363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.427363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.427363 (E_RNA)
where:
Base-Base interactions energy: -782.461
where: short stacking energy: -554.957
Base-Backbone interact. energy: -1.337
local terms energy: -696.629169
where:
bonds (distance) C4'-P energy: -144.911
bonds (distance) P-C4' energy: -145.233
flat angles C4'-P-C4' energy: -164.545
flat angles P-C4'-P energy: -100.409
tors. eta vs tors. theta energy: -141.531
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: 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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1180.183065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.183065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.183065 (E_RNA)
where:
Base-Base interactions energy: -585.805
where: short stacking energy: -406.873
Base-Backbone interact. energy: -0.773
local terms energy: -593.605470
where:
bonds (distance) C4'-P energy: -140.438
bonds (distance) P-C4' energy: -144.148
flat angles C4'-P-C4' energy: -140.069
flat angles P-C4'-P energy: -86.865
tors. eta vs tors. theta energy: -82.085
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: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1328.893564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.893564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.893564 (E_RNA)
where:
Base-Base interactions energy: -718.009
where: short stacking energy: -437.045
Base-Backbone interact. energy: -1.468
local terms energy: -609.416798
where:
bonds (distance) C4'-P energy: -150.205
bonds (distance) P-C4' energy: -133.302
flat angles C4'-P-C4' energy: -139.936
flat angles P-C4'-P energy: -83.216
tors. eta vs tors. theta energy: -102.757
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: 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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1515.657104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.657104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.657104 (E_RNA)
where:
Base-Base interactions energy: -841.249
where: short stacking energy: -525.452
Base-Backbone interact. energy: -2.037
local terms energy: -672.370863
where:
bonds (distance) C4'-P energy: -150.939
bonds (distance) P-C4' energy: -159.398
flat angles C4'-P-C4' energy: -146.466
flat angles P-C4'-P energy: -90.008
tors. eta vs tors. theta energy: -125.560
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: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1393.711214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.711214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.711214 (E_RNA)
where:
Base-Base interactions energy: -745.019
where: short stacking energy: -474.917
Base-Backbone interact. energy: 0.398
local terms energy: -649.090842
where:
bonds (distance) C4'-P energy: -158.876
bonds (distance) P-C4' energy: -151.179
flat angles C4'-P-C4' energy: -151.822
flat angles P-C4'-P energy: -71.206
tors. eta vs tors. theta energy: -116.008
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: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1133.769630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.769630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.769630 (E_RNA)
where:
Base-Base interactions energy: -542.693
where: short stacking energy: -382.019
Base-Backbone interact. energy: -1.234
local terms energy: -589.842830
where:
bonds (distance) C4'-P energy: -131.182
bonds (distance) P-C4' energy: -138.225
flat angles C4'-P-C4' energy: -152.062
flat angles P-C4'-P energy: -99.972
tors. eta vs tors. theta energy: -68.402
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: 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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1513.104199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.104199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.104199 (E_RNA)
where:
Base-Base interactions energy: -831.697
where: short stacking energy: -543.958
Base-Backbone interact. energy: -3.180
local terms energy: -678.227845
where:
bonds (distance) C4'-P energy: -152.615
bonds (distance) P-C4' energy: -149.973
flat angles C4'-P-C4' energy: -152.634
flat angles P-C4'-P energy: -87.710
tors. eta vs tors. theta energy: -135.296
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: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1456.356313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.356313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.356313 (E_RNA)
where:
Base-Base interactions energy: -840.656
where: short stacking energy: -490.990
Base-Backbone interact. energy: -0.226
local terms energy: -615.474168
where:
bonds (distance) C4'-P energy: -137.081
bonds (distance) P-C4' energy: -139.637
flat angles C4'-P-C4' energy: -136.922
flat angles P-C4'-P energy: -89.113
tors. eta vs tors. theta energy: -112.722
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: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1299.534907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.534907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.534907 (E_RNA)
where:
Base-Base interactions energy: -725.946
where: short stacking energy: -378.685
Base-Backbone interact. energy: 0.098
local terms energy: -573.687299
where:
bonds (distance) C4'-P energy: -125.807
bonds (distance) P-C4' energy: -135.844
flat angles C4'-P-C4' energy: -142.134
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -90.572
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: 11
Temperature: 1.100000
Total energy: -1056.047997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.047997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.047997 (E_RNA)
where:
Base-Base interactions energy: -534.650
where: short stacking energy: -366.266
Base-Backbone interact. energy: 0.558
local terms energy: -521.956323
where:
bonds (distance) C4'-P energy: -130.918
bonds (distance) P-C4' energy: -121.446
flat angles C4'-P-C4' energy: -136.742
flat angles P-C4'-P energy: -76.895
tors. eta vs tors. theta energy: -55.956
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: 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: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1479.536373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.536373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.536373 (E_RNA)
where:
Base-Base interactions energy: -820.217
where: short stacking energy: -493.582
Base-Backbone interact. energy: -0.434
local terms energy: -658.885322
where:
bonds (distance) C4'-P energy: -151.805
bonds (distance) P-C4' energy: -156.600
flat angles C4'-P-C4' energy: -137.096
flat angles P-C4'-P energy: -106.952
tors. eta vs tors. theta energy: -106.432
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: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1431.887334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.887334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.887334 (E_RNA)
where:
Base-Base interactions energy: -830.680
where: short stacking energy: -463.546
Base-Backbone interact. energy: 4.813
local terms energy: -606.020351
where:
bonds (distance) C4'-P energy: -136.304
bonds (distance) P-C4' energy: -144.222
flat angles C4'-P-C4' energy: -141.889
flat angles P-C4'-P energy: -92.712
tors. eta vs tors. theta energy: -90.893
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: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1359.035708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.035708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.035708 (E_RNA)
where:
Base-Base interactions energy: -766.406
where: short stacking energy: -435.735
Base-Backbone interact. energy: -0.777
local terms energy: -591.852828
where:
bonds (distance) C4'-P energy: -107.556
bonds (distance) P-C4' energy: -147.212
flat angles C4'-P-C4' energy: -143.516
flat angles P-C4'-P energy: -104.456
tors. eta vs tors. theta energy: -89.113
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: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1130.070881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.070881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.070881 (E_RNA)
where:
Base-Base interactions energy: -608.591
where: short stacking energy: -395.133
Base-Backbone interact. energy: 0.201
local terms energy: -521.680981
where:
bonds (distance) C4'-P energy: -121.549
bonds (distance) P-C4' energy: -111.842
flat angles C4'-P-C4' energy: -138.344
flat angles P-C4'-P energy: -85.276
tors. eta vs tors. theta energy: -64.669
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: 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: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1539.960596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.960596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.960596 (E_RNA)
where:
Base-Base interactions energy: -884.638
where: short stacking energy: -488.130
Base-Backbone interact. energy: 0.403
local terms energy: -655.725391
where:
bonds (distance) C4'-P energy: -132.380
bonds (distance) P-C4' energy: -155.898
flat angles C4'-P-C4' energy: -151.748
flat angles P-C4'-P energy: -102.481
tors. eta vs tors. theta energy: -113.218
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: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1478.124858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.124858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.124858 (E_RNA)
where:
Base-Base interactions energy: -828.725
where: short stacking energy: -499.426
Base-Backbone interact. energy: 0.723
local terms energy: -650.122430
where:
bonds (distance) C4'-P energy: -123.802
bonds (distance) P-C4' energy: -154.738
flat angles C4'-P-C4' energy: -156.523
flat angles P-C4'-P energy: -96.552
tors. eta vs tors. theta energy: -118.507
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: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1429.247338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.247338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.247338 (E_RNA)
where:
Base-Base interactions energy: -870.045
where: short stacking energy: -451.907
Base-Backbone interact. energy: -1.601
local terms energy: -557.601423
where:
bonds (distance) C4'-P energy: -120.661
bonds (distance) P-C4' energy: -124.754
flat angles C4'-P-C4' energy: -148.056
flat angles P-C4'-P energy: -62.629
tors. eta vs tors. theta energy: -101.502
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: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1119.272136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.272136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.272136 (E_RNA)
where:
Base-Base interactions energy: -593.636
where: short stacking energy: -361.114
Base-Backbone interact. energy: -0.575
local terms energy: -525.061066
where:
bonds (distance) C4'-P energy: -125.430
bonds (distance) P-C4' energy: -135.397
flat angles C4'-P-C4' energy: -121.905
flat angles P-C4'-P energy: -83.058
tors. eta vs tors. theta energy: -59.272
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: 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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1609.400752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.400752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.400752 (E_RNA)
where:
Base-Base interactions energy: -944.056
where: short stacking energy: -513.228
Base-Backbone interact. energy: -1.917
local terms energy: -663.428346
where:
bonds (distance) C4'-P energy: -147.532
bonds (distance) P-C4' energy: -153.380
flat angles C4'-P-C4' energy: -156.414
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -128.793
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1536.868739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.868739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.868739 (E_RNA)
where:
Base-Base interactions energy: -949.359
where: short stacking energy: -526.413
Base-Backbone interact. energy: 2.216
local terms energy: -589.725639
where:
bonds (distance) C4'-P energy: -132.544
bonds (distance) P-C4' energy: -137.335
flat angles C4'-P-C4' energy: -118.122
flat angles P-C4'-P energy: -87.894
tors. eta vs tors. theta energy: -113.831
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: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1475.177818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.177818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.177818 (E_RNA)
where:
Base-Base interactions energy: -878.014
where: short stacking energy: -462.427
Base-Backbone interact. energy: 0.839
local terms energy: -598.003639
where:
bonds (distance) C4'-P energy: -124.343
bonds (distance) P-C4' energy: -132.307
flat angles C4'-P-C4' energy: -145.881
flat angles P-C4'-P energy: -95.269
tors. eta vs tors. theta energy: -100.204
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: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1401.077317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.077317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.077317 (E_RNA)
where:
Base-Base interactions energy: -823.130
where: short stacking energy: -398.234
Base-Backbone interact. energy: -5.218
local terms energy: -572.729042
where:
bonds (distance) C4'-P energy: -135.048
bonds (distance) P-C4' energy: -140.111
flat angles C4'-P-C4' energy: -118.958
flat angles P-C4'-P energy: -90.328
tors. eta vs tors. theta energy: -88.285
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: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1096.315572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.315572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.315572 (E_RNA)
where:
Base-Base interactions energy: -587.552
where: short stacking energy: -339.092
Base-Backbone interact. energy: -2.868
local terms energy: -505.894962
where:
bonds (distance) C4'-P energy: -124.049
bonds (distance) P-C4' energy: -137.348
flat angles C4'-P-C4' energy: -108.379
flat angles P-C4'-P energy: -91.268
tors. eta vs tors. theta energy: -44.851
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: 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: -1639.635712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.635712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.635712 (E_RNA)
where:
Base-Base interactions energy: -977.558
where: short stacking energy: -528.549
Base-Backbone interact. energy: 2.492
local terms energy: -664.569024
where:
bonds (distance) C4'-P energy: -151.489
bonds (distance) P-C4' energy: -140.965
flat angles C4'-P-C4' energy: -155.537
flat angles P-C4'-P energy: -93.608
tors. eta vs tors. theta energy: -122.971
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: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1593.522230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.522230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.522230 (E_RNA)
where:
Base-Base interactions energy: -922.420
where: short stacking energy: -542.429
Base-Backbone interact. energy: 1.700
local terms energy: -672.802265
where:
bonds (distance) C4'-P energy: -141.795
bonds (distance) P-C4' energy: -138.182
flat angles C4'-P-C4' energy: -144.115
flat angles P-C4'-P energy: -114.137
tors. eta vs tors. theta energy: -134.574
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: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1507.565797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.565797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.565797 (E_RNA)
where:
Base-Base interactions energy: -933.599
where: short stacking energy: -437.484
Base-Backbone interact. energy: 1.427
local terms energy: -575.394192
where:
bonds (distance) C4'-P energy: -129.641
bonds (distance) P-C4' energy: -137.684
flat angles C4'-P-C4' energy: -133.778
flat angles P-C4'-P energy: -91.909
tors. eta vs tors. theta energy: -82.382
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: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1491.687628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.687628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.687628 (E_RNA)
where:
Base-Base interactions energy: -946.813
where: short stacking energy: -468.151
Base-Backbone interact. energy: -3.083
local terms energy: -541.792124
where:
bonds (distance) C4'-P energy: -107.152
bonds (distance) P-C4' energy: -132.031
flat angles C4'-P-C4' energy: -110.868
flat angles P-C4'-P energy: -93.539
tors. eta vs tors. theta energy: -98.202
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: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1137.313842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.313842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.313842 (E_RNA)
where:
Base-Base interactions energy: -586.655
where: short stacking energy: -360.724
Base-Backbone interact. energy: -1.622
local terms energy: -549.036741
where:
bonds (distance) C4'-P energy: -144.325
bonds (distance) P-C4' energy: -145.103
flat angles C4'-P-C4' energy: -117.744
flat angles P-C4'-P energy: -88.021
tors. eta vs tors. theta energy: -53.844
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: 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: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -861.962478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.962478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.962478 (E_RNA)
where:
Base-Base interactions energy: -410.389
where: short stacking energy: -289.466
Base-Backbone interact. energy: 20.716
local terms energy: -472.288963
where:
bonds (distance) C4'-P energy: -114.213
bonds (distance) P-C4' energy: -146.794
flat angles C4'-P-C4' energy: -108.797
flat angles P-C4'-P energy: -66.082
tors. eta vs tors. theta energy: -36.403
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: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -780.184706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.184706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.184706 (E_RNA)
where:
Base-Base interactions energy: -343.434
where: short stacking energy: -232.738
Base-Backbone interact. energy: -2.256
local terms energy: -434.494626
where:
bonds (distance) C4'-P energy: -123.192
bonds (distance) P-C4' energy: -131.284
flat angles C4'-P-C4' energy: -110.007
flat angles P-C4'-P energy: -69.469
tors. eta vs tors. theta energy: -0.543
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: 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: -1706.782784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.782784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.782784 (E_RNA)
where:
Base-Base interactions energy: -1038.687
where: short stacking energy: -558.485
Base-Backbone interact. energy: 3.132
local terms energy: -671.228108
where:
bonds (distance) C4'-P energy: -140.374
bonds (distance) P-C4' energy: -140.555
flat angles C4'-P-C4' energy: -142.807
flat angles P-C4'-P energy: -102.477
tors. eta vs tors. theta energy: -145.015
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: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1676.036732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.036732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.036732 (E_RNA)
where:
Base-Base interactions energy: -1021.958
where: short stacking energy: -498.659
Base-Backbone interact. energy: -5.931
local terms energy: -648.148533
where:
bonds (distance) C4'-P energy: -139.332
bonds (distance) P-C4' energy: -139.221
flat angles C4'-P-C4' energy: -169.005
flat angles P-C4'-P energy: -94.006
tors. eta vs tors. theta energy: -106.585
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: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1465.280936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.280936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.280936 (E_RNA)
where:
Base-Base interactions energy: -872.955
where: short stacking energy: -446.141
Base-Backbone interact. energy: -2.443
local terms energy: -589.882573
where:
bonds (distance) C4'-P energy: -128.872
bonds (distance) P-C4' energy: -130.354
flat angles C4'-P-C4' energy: -143.933
flat angles P-C4'-P energy: -78.930
tors. eta vs tors. theta energy: -107.793
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: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1508.744433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.744433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.744433 (E_RNA)
where:
Base-Base interactions energy: -923.645
where: short stacking energy: -461.429
Base-Backbone interact. energy: -4.307
local terms energy: -580.792417
where:
bonds (distance) C4'-P energy: -126.797
bonds (distance) P-C4' energy: -129.547
flat angles C4'-P-C4' energy: -135.851
flat angles P-C4'-P energy: -91.813
tors. eta vs tors. theta energy: -96.784
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: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1166.691923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.691923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.691923 (E_RNA)
where:
Base-Base interactions energy: -629.983
where: short stacking energy: -337.376
Base-Backbone interact. energy: -2.343
local terms energy: -534.365732
where:
bonds (distance) C4'-P energy: -139.188
bonds (distance) P-C4' energy: -121.049
flat angles C4'-P-C4' energy: -135.782
flat angles P-C4'-P energy: -91.797
tors. eta vs tors. theta energy: -46.550
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: 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: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -867.425636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.425636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.425636 (E_RNA)
where:
Base-Base interactions energy: -434.354
where: short stacking energy: -262.887
Base-Backbone interact. energy: -2.762
local terms energy: -430.309870
where:
bonds (distance) C4'-P energy: -120.065
bonds (distance) P-C4' energy: -133.438
flat angles C4'-P-C4' energy: -95.219
flat angles P-C4'-P energy: -68.124
tors. eta vs tors. theta energy: -13.465
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: 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: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -747.433052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.433052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.433052 (E_RNA)
where:
Base-Base interactions energy: -361.623
where: short stacking energy: -201.161
Base-Backbone interact. energy: 1.621
local terms energy: -387.430876
where:
bonds (distance) C4'-P energy: -111.393
bonds (distance) P-C4' energy: -99.350
flat angles C4'-P-C4' energy: -107.192
flat angles P-C4'-P energy: -72.834
tors. eta vs tors. theta energy: 3.338
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: 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: -1728.463604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.463604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.463604 (E_RNA)
where:
Base-Base interactions energy: -1065.245
where: short stacking energy: -542.629
Base-Backbone interact. energy: -2.309
local terms energy: -660.909089
where:
bonds (distance) C4'-P energy: -142.528
bonds (distance) P-C4' energy: -143.263
flat angles C4'-P-C4' energy: -155.175
flat angles P-C4'-P energy: -90.618
tors. eta vs tors. theta energy: -129.326
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: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1676.688970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.688970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.688970 (E_RNA)
where:
Base-Base interactions energy: -1042.427
where: short stacking energy: -495.749
Base-Backbone interact. energy: -2.053
local terms energy: -632.208493
where:
bonds (distance) C4'-P energy: -135.886
bonds (distance) P-C4' energy: -142.050
flat angles C4'-P-C4' energy: -143.332
flat angles P-C4'-P energy: -96.485
tors. eta vs tors. theta energy: -114.455
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: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1643.352279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.352279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.352279 (E_RNA)
where:
Base-Base interactions energy: -1015.774
where: short stacking energy: -488.083
Base-Backbone interact. energy: -0.812
local terms energy: -626.766141
where:
bonds (distance) C4'-P energy: -128.044
bonds (distance) P-C4' energy: -155.308
flat angles C4'-P-C4' energy: -138.695
flat angles P-C4'-P energy: -90.170
tors. eta vs tors. theta energy: -114.549
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: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1356.843569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.843569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.843569 (E_RNA)
where:
Base-Base interactions energy: -780.030
where: short stacking energy: -401.788
Base-Backbone interact. energy: -0.076
local terms energy: -576.737767
where:
bonds (distance) C4'-P energy: -130.219
bonds (distance) P-C4' energy: -138.124
flat angles C4'-P-C4' energy: -141.540
flat angles P-C4'-P energy: -82.270
tors. eta vs tors. theta energy: -84.584
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: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1240.179889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.179889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.179889 (E_RNA)
where:
Base-Base interactions energy: -716.018
where: short stacking energy: -402.198
Base-Backbone interact. energy: -2.031
local terms energy: -522.130994
where:
bonds (distance) C4'-P energy: -120.845
bonds (distance) P-C4' energy: -128.252
flat angles C4'-P-C4' energy: -142.179
flat angles P-C4'-P energy: -64.666
tors. eta vs tors. theta energy: -66.190
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: 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: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -839.873685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.873685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.873685 (E_RNA)
where:
Base-Base interactions energy: -371.622
where: short stacking energy: -250.213
Base-Backbone interact. energy: -2.672
local terms energy: -465.579931
where:
bonds (distance) C4'-P energy: -112.480
bonds (distance) P-C4' energy: -131.663
flat angles C4'-P-C4' energy: -124.247
flat angles P-C4'-P energy: -80.957
tors. eta vs tors. theta energy: -16.233
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -750.709232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.709232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.709232 (E_RNA)
where:
Base-Base interactions energy: -366.919
where: short stacking energy: -212.341
Base-Backbone interact. energy: 1.108
local terms energy: -384.898198
where:
bonds (distance) C4'-P energy: -119.348
bonds (distance) P-C4' energy: -126.362
flat angles C4'-P-C4' energy: -104.116
flat angles P-C4'-P energy: -49.227
tors. eta vs tors. theta energy: 14.154
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: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -778.865164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.865164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.865164 (E_RNA)
where:
Base-Base interactions energy: -387.585
where: short stacking energy: -194.998
Base-Backbone interact. energy: -0.743
local terms energy: -390.537239
where:
bonds (distance) C4'-P energy: -126.546
bonds (distance) P-C4' energy: -110.685
flat angles C4'-P-C4' energy: -96.713
flat angles P-C4'-P energy: -75.152
tors. eta vs tors. theta energy: 18.559
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: 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: -1764.681551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.681551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.681551 (E_RNA)
where:
Base-Base interactions energy: -1111.056
where: short stacking energy: -577.092
Base-Backbone interact. energy: -1.576
local terms energy: -652.049067
where:
bonds (distance) C4'-P energy: -143.768
bonds (distance) P-C4' energy: -132.728
flat angles C4'-P-C4' energy: -141.340
flat angles P-C4'-P energy: -92.237
tors. eta vs tors. theta energy: -141.975
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: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1760.791407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.791407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.791407 (E_RNA)
where:
Base-Base interactions energy: -1115.874
where: short stacking energy: -556.249
Base-Backbone interact. energy: -2.765
local terms energy: -642.152484
where:
bonds (distance) C4'-P energy: -140.761
bonds (distance) P-C4' energy: -131.062
flat angles C4'-P-C4' energy: -150.745
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -125.187
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: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1649.789349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.789349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.789349 (E_RNA)
where:
Base-Base interactions energy: -1022.312
where: short stacking energy: -502.166
Base-Backbone interact. energy: -3.900
local terms energy: -623.577405
where:
bonds (distance) C4'-P energy: -124.363
bonds (distance) P-C4' energy: -153.060
flat angles C4'-P-C4' energy: -126.536
flat angles P-C4'-P energy: -81.532
tors. eta vs tors. theta energy: -138.087
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: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1360.193094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.193094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.193094 (E_RNA)
where:
Base-Base interactions energy: -809.454
where: short stacking energy: -436.123
Base-Backbone interact. energy: 6.377
local terms energy: -557.116857
where:
bonds (distance) C4'-P energy: -125.849
bonds (distance) P-C4' energy: -132.773
flat angles C4'-P-C4' energy: -132.700
flat angles P-C4'-P energy: -62.182
tors. eta vs tors. theta energy: -103.614
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: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1329.738795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.738795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.738795 (E_RNA)
where:
Base-Base interactions energy: -795.389
where: short stacking energy: -423.455
Base-Backbone interact. energy: 0.520
local terms energy: -534.869717
where:
bonds (distance) C4'-P energy: -119.282
bonds (distance) P-C4' energy: -135.154
flat angles C4'-P-C4' energy: -130.312
flat angles P-C4'-P energy: -68.613
tors. eta vs tors. theta energy: -81.509
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: 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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -939.098901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.098901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.098901 (E_RNA)
where:
Base-Base interactions energy: -492.874
where: short stacking energy: -296.077
Base-Backbone interact. energy: 0.848
local terms energy: -447.072727
where:
bonds (distance) C4'-P energy: -115.622
bonds (distance) P-C4' energy: -127.046
flat angles C4'-P-C4' energy: -116.199
flat angles P-C4'-P energy: -59.692
tors. eta vs tors. theta energy: -28.514
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: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -841.127057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.127057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.127057 (E_RNA)
where:
Base-Base interactions energy: -415.692
where: short stacking energy: -250.043
Base-Backbone interact. energy: -0.663
local terms energy: -424.771899
where:
bonds (distance) C4'-P energy: -106.143
bonds (distance) P-C4' energy: -136.524
flat angles C4'-P-C4' energy: -91.487
flat angles P-C4'-P energy: -61.386
tors. eta vs tors. theta energy: -29.232
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: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -729.871495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.871495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.871495 (E_RNA)
where:
Base-Base interactions energy: -357.608
where: short stacking energy: -226.232
Base-Backbone interact. energy: -3.112
local terms energy: -369.152307
where:
bonds (distance) C4'-P energy: -97.004
bonds (distance) P-C4' energy: -107.672
flat angles C4'-P-C4' energy: -96.743
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -0.622
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: 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: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1895.429664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.429664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.429664 (E_RNA)
where:
Base-Base interactions energy: -1224.035
where: short stacking energy: -599.457
Base-Backbone interact. energy: -2.750
local terms energy: -668.644730
where:
bonds (distance) C4'-P energy: -128.475
bonds (distance) P-C4' energy: -132.805
flat angles C4'-P-C4' energy: -150.486
flat angles P-C4'-P energy: -101.706
tors. eta vs tors. theta energy: -155.173
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: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1661.152972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.152972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.152972 (E_RNA)
where:
Base-Base interactions energy: -1026.872
where: short stacking energy: -512.092
Base-Backbone interact. energy: 2.371
local terms energy: -636.651465
where:
bonds (distance) C4'-P energy: -149.734
bonds (distance) P-C4' energy: -148.636
flat angles C4'-P-C4' energy: -126.643
flat angles P-C4'-P energy: -82.260
tors. eta vs tors. theta energy: -129.378
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: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1667.806664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.806664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.806664 (E_RNA)
where:
Base-Base interactions energy: -1057.087
where: short stacking energy: -494.360
Base-Backbone interact. energy: -0.558
local terms energy: -610.161348
where:
bonds (distance) C4'-P energy: -127.803
bonds (distance) P-C4' energy: -133.074
flat angles C4'-P-C4' energy: -149.325
flat angles P-C4'-P energy: -93.547
tors. eta vs tors. theta energy: -106.411
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: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1382.801250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.801250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.801250 (E_RNA)
where:
Base-Base interactions energy: -808.683
where: short stacking energy: -414.296
Base-Backbone interact. energy: -3.556
local terms energy: -570.562327
where:
bonds (distance) C4'-P energy: -139.892
bonds (distance) P-C4' energy: -137.317
flat angles C4'-P-C4' energy: -121.243
flat angles P-C4'-P energy: -85.580
tors. eta vs tors. theta energy: -86.529
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: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1355.294146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.294146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.294146 (E_RNA)
where:
Base-Base interactions energy: -783.741
where: short stacking energy: -413.366
Base-Backbone interact. energy: 0.300
local terms energy: -571.853174
where:
bonds (distance) C4'-P energy: -117.110
bonds (distance) P-C4' energy: -153.173
flat angles C4'-P-C4' energy: -132.615
flat angles P-C4'-P energy: -83.855
tors. eta vs tors. theta energy: -85.100
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: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1055.520944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.520944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.520944 (E_RNA)
where:
Base-Base interactions energy: -563.853
where: short stacking energy: -334.938
Base-Backbone interact. energy: -1.083
local terms energy: -490.584955
where:
bonds (distance) C4'-P energy: -130.749
bonds (distance) P-C4' energy: -111.010
flat angles C4'-P-C4' energy: -120.155
flat angles P-C4'-P energy: -85.764
tors. eta vs tors. theta energy: -42.908
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: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -909.710174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.710174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.710174 (E_RNA)
where:
Base-Base interactions energy: -437.334
where: short stacking energy: -252.912
Base-Backbone interact. energy: 1.272
local terms energy: -473.648800
where:
bonds (distance) C4'-P energy: -121.182
bonds (distance) P-C4' energy: -150.872
flat angles C4'-P-C4' energy: -109.910
flat angles P-C4'-P energy: -78.999
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: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -861.528748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.528748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.528748 (E_RNA)
where:
Base-Base interactions energy: -458.018
where: short stacking energy: -263.850
Base-Backbone interact. energy: -3.077
local terms energy: -400.434219
where:
bonds (distance) C4'-P energy: -100.284
bonds (distance) P-C4' energy: -121.697
flat angles C4'-P-C4' energy: -107.879
flat angles P-C4'-P energy: -61.250
tors. eta vs tors. theta energy: -9.324
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: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -684.640812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.640812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.640812 (E_RNA)
where:
Base-Base interactions energy: -333.720
where: short stacking energy: -222.634
Base-Backbone interact. energy: 1.859
local terms energy: -352.779850
where:
bonds (distance) C4'-P energy: -122.742
bonds (distance) P-C4' energy: -94.223
flat angles C4'-P-C4' energy: -84.867
flat angles P-C4'-P energy: -59.132
tors. eta vs tors. theta energy: 8.185
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: 1, replica: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2099.767747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.767747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.767747 (E_RNA)
where:
Base-Base interactions energy: -1388.322
where: short stacking energy: -652.233
Base-Backbone interact. energy: -7.867
local terms energy: -703.579039
where:
bonds (distance) C4'-P energy: -140.083
bonds (distance) P-C4' energy: -149.898
flat angles C4'-P-C4' energy: -144.486
flat angles P-C4'-P energy: -95.419
tors. eta vs tors. theta energy: -173.692
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: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1888.093092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.093092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.093092 (E_RNA)
where:
Base-Base interactions energy: -1170.986
where: short stacking energy: -597.944
Base-Backbone interact. energy: -4.530
local terms energy: -712.577003
where:
bonds (distance) C4'-P energy: -140.195
bonds (distance) P-C4' energy: -149.214
flat angles C4'-P-C4' energy: -160.879
flat angles P-C4'-P energy: -105.417
tors. eta vs tors. theta energy: -156.872
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: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1778.661554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.661554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.661554 (E_RNA)
where:
Base-Base interactions energy: -1150.415
where: short stacking energy: -529.195
Base-Backbone interact. energy: 0.269
local terms energy: -628.516039
where:
bonds (distance) C4'-P energy: -129.352
bonds (distance) P-C4' energy: -138.587
flat angles C4'-P-C4' energy: -138.405
flat angles P-C4'-P energy: -95.760
tors. eta vs tors. theta energy: -126.411
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: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1601.435421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.435421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.435421 (E_RNA)
where:
Base-Base interactions energy: -1016.597
where: short stacking energy: -497.914
Base-Backbone interact. energy: 1.836
local terms energy: -586.674174
where:
bonds (distance) C4'-P energy: -127.937
bonds (distance) P-C4' energy: -131.234
flat angles C4'-P-C4' energy: -125.756
flat angles P-C4'-P energy: -98.136
tors. eta vs tors. theta energy: -103.611
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: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1477.060183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.060183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.060183 (E_RNA)
where:
Base-Base interactions energy: -901.230
where: short stacking energy: -447.040
Base-Backbone interact. energy: -1.530
local terms energy: -574.299853
where:
bonds (distance) C4'-P energy: -119.380
bonds (distance) P-C4' energy: -138.991
flat angles C4'-P-C4' energy: -133.178
flat angles P-C4'-P energy: -81.271
tors. eta vs tors. theta energy: -101.480
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: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1459.117728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.117728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.117728 (E_RNA)
where:
Base-Base interactions energy: -896.562
where: short stacking energy: -416.530
Base-Backbone interact. energy: -1.533
local terms energy: -561.022420
where:
bonds (distance) C4'-P energy: -136.197
bonds (distance) P-C4' energy: -127.629
flat angles C4'-P-C4' energy: -125.386
flat angles P-C4'-P energy: -87.172
tors. eta vs tors. theta energy: -84.638
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: 20
Temperature: 1.200000
Total energy: -1071.661462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.661462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.661462 (E_RNA)
where:
Base-Base interactions energy: -593.299
where: short stacking energy: -332.253
Base-Backbone interact. energy: 1.781
local terms energy: -480.143452
where:
bonds (distance) C4'-P energy: -124.563
bonds (distance) P-C4' energy: -129.565
flat angles C4'-P-C4' energy: -112.689
flat angles P-C4'-P energy: -61.862
tors. eta vs tors. theta energy: -51.463
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: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -939.778861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.778861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.778861 (E_RNA)
where:
Base-Base interactions energy: -506.472
where: short stacking energy: -267.834
Base-Backbone interact. energy: 6.885
local terms energy: -440.192786
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -131.566
flat angles C4'-P-C4' energy: -110.087
flat angles P-C4'-P energy: -60.631
tors. eta vs tors. theta energy: -28.701
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: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -783.367956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.367956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.367956 (E_RNA)
where:
Base-Base interactions energy: -372.427
where: short stacking energy: -222.331
Base-Backbone interact. energy: -0.642
local terms energy: -410.299197
where:
bonds (distance) C4'-P energy: -110.655
bonds (distance) P-C4' energy: -122.871
flat angles C4'-P-C4' energy: -113.044
flat angles P-C4'-P energy: -52.541
tors. eta vs tors. theta energy: -11.189
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: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -646.601162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.601162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.601162 (E_RNA)
where:
Base-Base interactions energy: -302.286
where: short stacking energy: -180.454
Base-Backbone interact. energy: 0.882
local terms energy: -345.196626
where:
bonds (distance) C4'-P energy: -107.584
bonds (distance) P-C4' energy: -132.282
flat angles C4'-P-C4' energy: -100.398
flat angles P-C4'-P energy: -32.513
tors. eta vs tors. theta energy: 27.580
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: 1, replica: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2132.153438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.153438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.153438 (E_RNA)
where:
Base-Base interactions energy: -1408.821
where: short stacking energy: -657.455
Base-Backbone interact. energy: -4.707
local terms energy: -718.625966
where:
bonds (distance) C4'-P energy: -145.006
bonds (distance) P-C4' energy: -142.175
flat angles C4'-P-C4' energy: -153.630
flat angles P-C4'-P energy: -103.474
tors. eta vs tors. theta energy: -174.341
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: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1928.975269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.975269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.975269 (E_RNA)
where:
Base-Base interactions energy: -1266.032
where: short stacking energy: -572.153
Base-Backbone interact. energy: -3.875
local terms energy: -659.068995
where:
bonds (distance) C4'-P energy: -132.218
bonds (distance) P-C4' energy: -147.157
flat angles C4'-P-C4' energy: -155.519
flat angles P-C4'-P energy: -92.517
tors. eta vs tors. theta energy: -131.658
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: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1774.933753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.933753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.933753 (E_RNA)
where:
Base-Base interactions energy: -1116.819
where: short stacking energy: -544.528
Base-Backbone interact. energy: -0.471
local terms energy: -657.643383
where:
bonds (distance) C4'-P energy: -133.483
bonds (distance) P-C4' energy: -135.179
flat angles C4'-P-C4' energy: -164.117
flat angles P-C4'-P energy: -90.578
tors. eta vs tors. theta energy: -134.287
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: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1536.241926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.241926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.241926 (E_RNA)
where:
Base-Base interactions energy: -935.174
where: short stacking energy: -478.489
Base-Backbone interact. energy: -2.592
local terms energy: -598.476365
where:
bonds (distance) C4'-P energy: -126.659
bonds (distance) P-C4' energy: -146.319
flat angles C4'-P-C4' energy: -139.157
flat angles P-C4'-P energy: -89.768
tors. eta vs tors. theta energy: -96.573
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: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1471.514316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.514316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.514316 (E_RNA)
where:
Base-Base interactions energy: -890.468
where: short stacking energy: -468.933
Base-Backbone interact. energy: -3.781
local terms energy: -577.264548
where:
bonds (distance) C4'-P energy: -130.920
bonds (distance) P-C4' energy: -117.984
flat angles C4'-P-C4' energy: -130.705
flat angles P-C4'-P energy: -90.853
tors. eta vs tors. theta energy: -106.803
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: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1539.222046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.222046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.222046 (E_RNA)
where:
Base-Base interactions energy: -983.941
where: short stacking energy: -485.953
Base-Backbone interact. energy: 0.268
local terms energy: -555.549365
where:
bonds (distance) C4'-P energy: -128.338
bonds (distance) P-C4' energy: -111.113
flat angles C4'-P-C4' energy: -141.208
flat angles P-C4'-P energy: -65.547
tors. eta vs tors. theta energy: -109.343
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: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1112.370455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.370455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.370455 (E_RNA)
where:
Base-Base interactions energy: -628.833
where: short stacking energy: -362.038
Base-Backbone interact. energy: -2.107
local terms energy: -481.430336
where:
bonds (distance) C4'-P energy: -112.998
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -111.582
flat angles P-C4'-P energy: -74.114
tors. eta vs tors. theta energy: -60.863
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: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -944.464458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.464458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.464458 (E_RNA)
where:
Base-Base interactions energy: -498.779
where: short stacking energy: -274.128
Base-Backbone interact. energy: -2.400
local terms energy: -443.285326
where:
bonds (distance) C4'-P energy: -130.737
bonds (distance) P-C4' energy: -116.074
flat angles C4'-P-C4' energy: -112.235
flat angles P-C4'-P energy: -60.158
tors. eta vs tors. theta energy: -24.082
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: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -868.970201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.970201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.970201 (E_RNA)
where:
Base-Base interactions energy: -417.621
where: short stacking energy: -239.341
Base-Backbone interact. energy: -0.976
local terms energy: -450.373157
where:
bonds (distance) C4'-P energy: -126.690
bonds (distance) P-C4' energy: -123.028
flat angles C4'-P-C4' energy: -98.165
flat angles P-C4'-P energy: -85.112
tors. eta vs tors. theta energy: -17.377
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: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -656.479057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.479057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.479057 (E_RNA)
where:
Base-Base interactions energy: -249.305
where: short stacking energy: -174.909
Base-Backbone interact. energy: -2.564
local terms energy: -404.609840
where:
bonds (distance) C4'-P energy: -118.946
bonds (distance) P-C4' energy: -138.760
flat angles C4'-P-C4' energy: -114.239
flat angles P-C4'-P energy: -64.564
tors. eta vs tors. theta energy: 31.899
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: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2177.028797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.028797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.028797 (E_RNA)
where:
Base-Base interactions energy: -1430.264
where: short stacking energy: -682.953
Base-Backbone interact. energy: -5.291
local terms energy: -741.474043
where:
bonds (distance) C4'-P energy: -149.893
bonds (distance) P-C4' energy: -136.008
flat angles C4'-P-C4' energy: -163.920
flat angles P-C4'-P energy: -100.766
tors. eta vs tors. theta energy: -190.886
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: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1952.182489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.182489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.182489 (E_RNA)
where:
Base-Base interactions energy: -1292.517
where: short stacking energy: -572.023
Base-Backbone interact. energy: -3.845
local terms energy: -655.820758
where:
bonds (distance) C4'-P energy: -135.745
bonds (distance) P-C4' energy: -145.716
flat angles C4'-P-C4' energy: -152.868
flat angles P-C4'-P energy: -92.004
tors. eta vs tors. theta energy: -129.487
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: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1704.386061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.386061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.386061 (E_RNA)
where:
Base-Base interactions energy: -1003.958
where: short stacking energy: -503.528
Base-Backbone interact. energy: -5.606
local terms energy: -694.821893
where:
bonds (distance) C4'-P energy: -143.806
bonds (distance) P-C4' energy: -153.007
flat angles C4'-P-C4' energy: -152.948
flat angles P-C4'-P energy: -113.342
tors. eta vs tors. theta energy: -131.719
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: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1555.674975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.674975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.674975 (E_RNA)
where:
Base-Base interactions energy: -953.009
where: short stacking energy: -501.601
Base-Backbone interact. energy: -2.090
local terms energy: -600.576273
where:
bonds (distance) C4'-P energy: -118.769
bonds (distance) P-C4' energy: -152.231
flat angles C4'-P-C4' energy: -136.366
flat angles P-C4'-P energy: -78.756
tors. eta vs tors. theta energy: -114.454
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: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1553.425547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.425547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.425547 (E_RNA)
where:
Base-Base interactions energy: -967.674
where: short stacking energy: -501.294
Base-Backbone interact. energy: 0.829
local terms energy: -586.580802
where:
bonds (distance) C4'-P energy: -127.876
bonds (distance) P-C4' energy: -125.190
flat angles C4'-P-C4' energy: -146.072
flat angles P-C4'-P energy: -68.790
tors. eta vs tors. theta energy: -118.652
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: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1393.351124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.351124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.351124 (E_RNA)
where:
Base-Base interactions energy: -833.903
where: short stacking energy: -414.704
Base-Backbone interact. energy: 0.752
local terms energy: -560.199843
where:
bonds (distance) C4'-P energy: -129.993
bonds (distance) P-C4' energy: -121.601
flat angles C4'-P-C4' energy: -133.013
flat angles P-C4'-P energy: -85.790
tors. eta vs tors. theta energy: -89.803
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: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1092.480828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.480828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.480828 (E_RNA)
where:
Base-Base interactions energy: -595.735
where: short stacking energy: -322.450
Base-Backbone interact. energy: 2.336
local terms energy: -499.081740
where:
bonds (distance) C4'-P energy: -133.367
bonds (distance) P-C4' energy: -123.438
flat angles C4'-P-C4' energy: -107.267
flat angles P-C4'-P energy: -96.091
tors. eta vs tors. theta energy: -38.919
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: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -992.778369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.778369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.778369 (E_RNA)
where:
Base-Base interactions energy: -543.382
where: short stacking energy: -281.162
Base-Backbone interact. energy: 3.999
local terms energy: -453.395729
where:
bonds (distance) C4'-P energy: -121.577
bonds (distance) P-C4' energy: -143.986
flat angles C4'-P-C4' energy: -110.160
flat angles P-C4'-P energy: -58.694
tors. eta vs tors. theta energy: -18.978
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: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -848.244281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.244281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.244281 (E_RNA)
where:
Base-Base interactions energy: -452.832
where: short stacking energy: -229.321
Base-Backbone interact. energy: -1.519
local terms energy: -393.893587
where:
bonds (distance) C4'-P energy: -105.825
bonds (distance) P-C4' energy: -140.866
flat angles C4'-P-C4' energy: -111.968
flat angles P-C4'-P energy: -51.603
tors. eta vs tors. theta energy: 16.369
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: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -672.754638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.754638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.754638 (E_RNA)
where:
Base-Base interactions energy: -304.930
where: short stacking energy: -164.095
Base-Backbone interact. energy: -1.964
local terms energy: -365.861137
where:
bonds (distance) C4'-P energy: -128.589
bonds (distance) P-C4' energy: -111.375
flat angles C4'-P-C4' energy: -107.808
flat angles P-C4'-P energy: -50.615
tors. eta vs tors. theta energy: 32.526
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: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2167.304235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.304235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.304235 (E_RNA)
where:
Base-Base interactions energy: -1426.256
where: short stacking energy: -669.466
Base-Backbone interact. energy: -1.511
local terms energy: -739.536387
where:
bonds (distance) C4'-P energy: -135.767
bonds (distance) P-C4' energy: -144.650
flat angles C4'-P-C4' energy: -170.652
flat angles P-C4'-P energy: -94.614
tors. eta vs tors. theta energy: -193.854
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: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1920.244130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.244130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.244130 (E_RNA)
where:
Base-Base interactions energy: -1268.284
where: short stacking energy: -526.478
Base-Backbone interact. energy: -4.158
local terms energy: -647.802509
where:
bonds (distance) C4'-P energy: -145.823
bonds (distance) P-C4' energy: -148.692
flat angles C4'-P-C4' energy: -139.836
flat angles P-C4'-P energy: -94.478
tors. eta vs tors. theta energy: -118.974
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: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1754.398231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.398231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.398231 (E_RNA)
where:
Base-Base interactions energy: -1081.167
where: short stacking energy: -564.489
Base-Backbone interact. energy: -2.568
local terms energy: -670.663229
where:
bonds (distance) C4'-P energy: -133.456
bonds (distance) P-C4' energy: -145.705
flat angles C4'-P-C4' energy: -154.738
flat angles P-C4'-P energy: -91.090
tors. eta vs tors. theta energy: -145.674
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: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1540.771261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.771261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.771261 (E_RNA)
where:
Base-Base interactions energy: -934.408
where: short stacking energy: -451.998
Base-Backbone interact. energy: -0.311
local terms energy: -606.051932
where:
bonds (distance) C4'-P energy: -138.084
bonds (distance) P-C4' energy: -143.483
flat angles C4'-P-C4' energy: -151.882
flat angles P-C4'-P energy: -89.322
tors. eta vs tors. theta energy: -83.281
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: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1554.684004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.684004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.684004 (E_RNA)
where:
Base-Base interactions energy: -972.669
where: short stacking energy: -463.626
Base-Backbone interact. energy: 16.070
local terms energy: -598.085284
where:
bonds (distance) C4'-P energy: -131.365
bonds (distance) P-C4' energy: -135.912
flat angles C4'-P-C4' energy: -125.829
flat angles P-C4'-P energy: -91.632
tors. eta vs tors. theta energy: -113.347
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: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1364.672698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.672698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.672698 (E_RNA)
where:
Base-Base interactions energy: -845.200
where: short stacking energy: -424.101
Base-Backbone interact. energy: 3.609
local terms energy: -523.082048
where:
bonds (distance) C4'-P energy: -137.507
bonds (distance) P-C4' energy: -127.202
flat angles C4'-P-C4' energy: -120.641
flat angles P-C4'-P energy: -69.295
tors. eta vs tors. theta energy: -68.437
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: 23
Temperature: 1.200000
Total energy: -1054.063698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.063698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.063698 (E_RNA)
where:
Base-Base interactions energy: -566.130
where: short stacking energy: -333.256
Base-Backbone interact. energy: -3.573
local terms energy: -484.360278
where:
bonds (distance) C4'-P energy: -122.474
bonds (distance) P-C4' energy: -121.108
flat angles C4'-P-C4' energy: -118.843
flat angles P-C4'-P energy: -72.366
tors. eta vs tors. theta energy: -49.569
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: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1035.951343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.951343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.951343 (E_RNA)
where:
Base-Base interactions energy: -548.301
where: short stacking energy: -287.761
Base-Backbone interact. energy: -2.785
local terms energy: -484.865593
where:
bonds (distance) C4'-P energy: -120.337
bonds (distance) P-C4' energy: -141.746
flat angles C4'-P-C4' energy: -124.453
flat angles P-C4'-P energy: -68.849
tors. eta vs tors. theta energy: -29.480
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: 23
Temperature: 1.300000
Total energy: -916.411663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.411663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.411663 (E_RNA)
where:
Base-Base interactions energy: -473.834
where: short stacking energy: -275.578
Base-Backbone interact. energy: -1.687
local terms energy: -440.890081
where:
bonds (distance) C4'-P energy: -118.804
bonds (distance) P-C4' energy: -127.233
flat angles C4'-P-C4' energy: -106.156
flat angles P-C4'-P energy: -66.526
tors. eta vs tors. theta energy: -22.171
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: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -694.115271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.115271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.115271 (E_RNA)
where:
Base-Base interactions energy: -336.524
where: short stacking energy: -226.556
Base-Backbone interact. energy: 2.631
local terms energy: -360.221688
where:
bonds (distance) C4'-P energy: -101.803
bonds (distance) P-C4' energy: -127.743
flat angles C4'-P-C4' energy: -88.478
flat angles P-C4'-P energy: -50.416
tors. eta vs tors. theta energy: 8.218
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: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2150.688436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.688436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.688436 (E_RNA)
where:
Base-Base interactions energy: -1429.475
where: short stacking energy: -668.013
Base-Backbone interact. energy: -4.307
local terms energy: -716.906534
where:
bonds (distance) C4'-P energy: -147.349
bonds (distance) P-C4' energy: -141.634
flat angles C4'-P-C4' energy: -165.134
flat angles P-C4'-P energy: -82.165
tors. eta vs tors. theta energy: -180.624
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: 24
Temperature: 0.950000
Total energy: -1948.977444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.977444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.977444 (E_RNA)
where:
Base-Base interactions energy: -1292.210
where: short stacking energy: -594.945
Base-Backbone interact. energy: -4.614
local terms energy: -652.153243
where:
bonds (distance) C4'-P energy: -126.997
bonds (distance) P-C4' energy: -142.756
flat angles C4'-P-C4' energy: -141.863
flat angles P-C4'-P energy: -99.473
tors. eta vs tors. theta energy: -141.063
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: 24
Temperature: 1.000000
Total energy: -1763.212535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.212535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.212535 (E_RNA)
where:
Base-Base interactions energy: -1093.123
where: short stacking energy: -560.752
Base-Backbone interact. energy: 1.300
local terms energy: -671.388856
where:
bonds (distance) C4'-P energy: -140.577
bonds (distance) P-C4' energy: -155.723
flat angles C4'-P-C4' energy: -148.344
flat angles P-C4'-P energy: -79.209
tors. eta vs tors. theta energy: -147.537
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: 24
Temperature: 1.050000
Total energy: -1492.945880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.945880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.945880 (E_RNA)
where:
Base-Base interactions energy: -884.437
where: short stacking energy: -473.909
Base-Backbone interact. energy: -0.645
local terms energy: -607.864292
where:
bonds (distance) C4'-P energy: -139.527
bonds (distance) P-C4' energy: -138.745
flat angles C4'-P-C4' energy: -129.797
flat angles P-C4'-P energy: -94.237
tors. eta vs tors. theta energy: -105.558
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: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1578.193063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.193063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.193063 (E_RNA)
where:
Base-Base interactions energy: -989.786
where: short stacking energy: -460.254
Base-Backbone interact. energy: -0.453
local terms energy: -587.954469
where:
bonds (distance) C4'-P energy: -145.903
bonds (distance) P-C4' energy: -134.296
flat angles C4'-P-C4' energy: -132.511
flat angles P-C4'-P energy: -76.988
tors. eta vs tors. theta energy: -98.257
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: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1380.672429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.672429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.672429 (E_RNA)
where:
Base-Base interactions energy: -844.088
where: short stacking energy: -412.831
Base-Backbone interact. energy: -0.883
local terms energy: -535.702019
where:
bonds (distance) C4'-P energy: -114.088
bonds (distance) P-C4' energy: -108.857
flat angles C4'-P-C4' energy: -141.096
flat angles P-C4'-P energy: -78.546
tors. eta vs tors. theta energy: -93.114
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: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1125.305658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.305658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.305658 (E_RNA)
where:
Base-Base interactions energy: -630.663
where: short stacking energy: -349.459
Base-Backbone interact. energy: 1.057
local terms energy: -495.700116
where:
bonds (distance) C4'-P energy: -142.254
bonds (distance) P-C4' energy: -118.673
flat angles C4'-P-C4' energy: -108.206
flat angles P-C4'-P energy: -73.463
tors. eta vs tors. theta energy: -53.104
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: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -968.197569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.197569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.197569 (E_RNA)
where:
Base-Base interactions energy: -502.202
where: short stacking energy: -257.890
Base-Backbone interact. energy: -0.278
local terms energy: -465.717592
where:
bonds (distance) C4'-P energy: -122.311
bonds (distance) P-C4' energy: -123.756
flat angles C4'-P-C4' energy: -110.422
flat angles P-C4'-P energy: -91.483
tors. eta vs tors. theta energy: -17.745
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: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -927.275757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.275757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.275757 (E_RNA)
where:
Base-Base interactions energy: -473.286
where: short stacking energy: -265.354
Base-Backbone interact. energy: -0.502
local terms energy: -453.487595
where:
bonds (distance) C4'-P energy: -131.665
bonds (distance) P-C4' energy: -115.560
flat angles C4'-P-C4' energy: -116.896
flat angles P-C4'-P energy: -70.167
tors. eta vs tors. theta energy: -19.199
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: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -709.569983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.569983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.569983 (E_RNA)
where:
Base-Base interactions energy: -349.916
where: short stacking energy: -227.797
Base-Backbone interact. energy: -1.927
local terms energy: -357.726973
where:
bonds (distance) C4'-P energy: -95.370
bonds (distance) P-C4' energy: -117.091
flat angles C4'-P-C4' energy: -99.234
flat angles P-C4'-P energy: -57.949
tors. eta vs tors. theta energy: 11.917
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: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2192.290725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.290725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.290725 (E_RNA)
where:
Base-Base interactions energy: -1451.216
where: short stacking energy: -684.059
Base-Backbone interact. energy: -4.655
local terms energy: -736.420268
where:
bonds (distance) C4'-P energy: -136.290
bonds (distance) P-C4' energy: -146.742
flat angles C4'-P-C4' energy: -170.594
flat angles P-C4'-P energy: -96.749
tors. eta vs tors. theta energy: -186.046
Dist. restrs. and SS energy: 0.000 (S_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: 25
Temperature: 0.950000
Total energy: -1953.115962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.115962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.115962 (E_RNA)
where:
Base-Base interactions energy: -1245.230
where: short stacking energy: -570.353
Base-Backbone interact. energy: -2.247
local terms energy: -705.638392
where:
bonds (distance) C4'-P energy: -150.889
bonds (distance) P-C4' energy: -147.345
flat angles C4'-P-C4' energy: -154.273
flat angles P-C4'-P energy: -102.015
tors. eta vs tors. theta energy: -151.115
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: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1776.726094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.726094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.726094 (E_RNA)
where:
Base-Base interactions energy: -1105.877
where: short stacking energy: -565.610
Base-Backbone interact. energy: -3.015
local terms energy: -667.833490
where:
bonds (distance) C4'-P energy: -129.359
bonds (distance) P-C4' energy: -146.357
flat angles C4'-P-C4' energy: -149.916
flat angles P-C4'-P energy: -95.810
tors. eta vs tors. theta energy: -146.390
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: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1733.902384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.902384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.902384 (E_RNA)
where:
Base-Base interactions energy: -1046.501
where: short stacking energy: -536.470
Base-Backbone interact. energy: 1.118
local terms energy: -688.519729
where:
bonds (distance) C4'-P energy: -149.116
bonds (distance) P-C4' energy: -150.072
flat angles C4'-P-C4' energy: -155.613
flat angles P-C4'-P energy: -90.613
tors. eta vs tors. theta energy: -143.105
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: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1448.648530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.648530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.648530 (E_RNA)
where:
Base-Base interactions energy: -864.181
where: short stacking energy: -440.252
Base-Backbone interact. energy: 3.086
local terms energy: -587.553772
where:
bonds (distance) C4'-P energy: -129.418
bonds (distance) P-C4' energy: -141.779
flat angles C4'-P-C4' energy: -134.118
flat angles P-C4'-P energy: -87.546
tors. eta vs tors. theta energy: -94.692
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: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1328.977403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.977403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.977403 (E_RNA)
where:
Base-Base interactions energy: -796.689
where: short stacking energy: -400.160
Base-Backbone interact. energy: -0.072
local terms energy: -532.215853
where:
bonds (distance) C4'-P energy: -130.084
bonds (distance) P-C4' energy: -140.793
flat angles C4'-P-C4' energy: -142.586
flat angles P-C4'-P energy: -65.888
tors. eta vs tors. theta energy: -52.864
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1078.239342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.239342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.239342 (E_RNA)
where:
Base-Base interactions energy: -569.960
where: short stacking energy: -320.539
Base-Backbone interact. energy: -1.305
local terms energy: -506.974869
where:
bonds (distance) C4'-P energy: -102.463
bonds (distance) P-C4' energy: -136.326
flat angles C4'-P-C4' energy: -138.672
flat angles P-C4'-P energy: -81.326
tors. eta vs tors. theta energy: -48.189
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: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1027.320512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.320512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.320512 (E_RNA)
where:
Base-Base interactions energy: -556.883
where: short stacking energy: -291.939
Base-Backbone interact. energy: 2.968
local terms energy: -473.406161
where:
bonds (distance) C4'-P energy: -121.596
bonds (distance) P-C4' energy: -127.547
flat angles C4'-P-C4' energy: -114.384
flat angles P-C4'-P energy: -71.165
tors. eta vs tors. theta energy: -38.714
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: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -927.845127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.845127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.845127 (E_RNA)
where:
Base-Base interactions energy: -453.301
where: short stacking energy: -269.049
Base-Backbone interact. energy: -0.541
local terms energy: -474.003181
where:
bonds (distance) C4'-P energy: -119.271
bonds (distance) P-C4' energy: -116.429
flat angles C4'-P-C4' energy: -128.165
flat angles P-C4'-P energy: -85.189
tors. eta vs tors. theta energy: -24.950
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: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -666.378388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.378388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.378388 (E_RNA)
where:
Base-Base interactions energy: -307.865
where: short stacking energy: -180.584
Base-Backbone interact. energy: 3.655
local terms energy: -362.168460
where:
bonds (distance) C4'-P energy: -112.448
bonds (distance) P-C4' energy: -122.341
flat angles C4'-P-C4' energy: -96.963
flat angles P-C4'-P energy: -54.239
tors. eta vs tors. theta energy: 23.822
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: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2185.230398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.230398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.230398 (E_RNA)
where:
Base-Base interactions energy: -1439.767
where: short stacking energy: -648.677
Base-Backbone interact. energy: -4.101
local terms energy: -741.362295
where:
bonds (distance) C4'-P energy: -140.786
bonds (distance) P-C4' energy: -142.962
flat angles C4'-P-C4' energy: -164.523
flat angles P-C4'-P energy: -111.476
tors. eta vs tors. theta energy: -181.616
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: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2005.235527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.235527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.235527 (E_RNA)
where:
Base-Base interactions energy: -1300.374
where: short stacking energy: -615.180
Base-Backbone interact. energy: -1.736
local terms energy: -703.125402
where:
bonds (distance) C4'-P energy: -125.349
bonds (distance) P-C4' energy: -154.799
flat angles C4'-P-C4' energy: -162.847
flat angles P-C4'-P energy: -94.678
tors. eta vs tors. theta energy: -165.452
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: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1773.698855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.698855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.698855 (E_RNA)
where:
Base-Base interactions energy: -1135.987
where: short stacking energy: -525.177
Base-Backbone interact. energy: -3.635
local terms energy: -634.077102
where:
bonds (distance) C4'-P energy: -128.236
bonds (distance) P-C4' energy: -128.285
flat angles C4'-P-C4' energy: -143.210
flat angles P-C4'-P energy: -99.465
tors. eta vs tors. theta energy: -134.881
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: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1594.405313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.405313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.405313 (E_RNA)
where:
Base-Base interactions energy: -1014.965
where: short stacking energy: -479.272
Base-Backbone interact. energy: 0.681
local terms energy: -580.121668
where:
bonds (distance) C4'-P energy: -127.819
bonds (distance) P-C4' energy: -139.908
flat angles C4'-P-C4' energy: -122.724
flat angles P-C4'-P energy: -74.582
tors. eta vs tors. theta energy: -115.087
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: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1438.004927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.004927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.004927 (E_RNA)
where:
Base-Base interactions energy: -864.202
where: short stacking energy: -454.846
Base-Backbone interact. energy: -3.781
local terms energy: -570.021518
where:
bonds (distance) C4'-P energy: -116.701
bonds (distance) P-C4' energy: -139.937
flat angles C4'-P-C4' energy: -117.080
flat angles P-C4'-P energy: -91.018
tors. eta vs tors. theta energy: -105.285
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: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1244.279226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.279226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.279226 (E_RNA)
where:
Base-Base interactions energy: -735.658
where: short stacking energy: -377.618
Base-Backbone interact. energy: 0.090
local terms energy: -508.711463
where:
bonds (distance) C4'-P energy: -126.991
bonds (distance) P-C4' energy: -140.086
flat angles C4'-P-C4' energy: -125.870
flat angles P-C4'-P energy: -68.022
tors. eta vs tors. theta energy: -47.743
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: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1123.060620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.060620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.060620 (E_RNA)
where:
Base-Base interactions energy: -628.145
where: short stacking energy: -340.752
Base-Backbone interact. energy: -1.017
local terms energy: -493.899298
where:
bonds (distance) C4'-P energy: -110.979
bonds (distance) P-C4' energy: -141.850
flat angles C4'-P-C4' energy: -119.541
flat angles P-C4'-P energy: -68.735
tors. eta vs tors. theta energy: -52.794
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: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1069.001428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.001428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.001428 (E_RNA)
where:
Base-Base interactions energy: -593.719
where: short stacking energy: -292.008
Base-Backbone interact. energy: -1.347
local terms energy: -473.935675
where:
bonds (distance) C4'-P energy: -127.773
bonds (distance) P-C4' energy: -132.281
flat angles C4'-P-C4' energy: -125.281
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -15.236
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: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -887.800267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.800267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.800267 (E_RNA)
where:
Base-Base interactions energy: -481.746
where: short stacking energy: -272.005
Base-Backbone interact. energy: -0.215
local terms energy: -405.839735
where:
bonds (distance) C4'-P energy: -112.121
bonds (distance) P-C4' energy: -111.572
flat angles C4'-P-C4' energy: -121.514
flat angles P-C4'-P energy: -54.182
tors. eta vs tors. theta energy: -6.450
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: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -630.708978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.708978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.708978 (E_RNA)
where:
Base-Base interactions energy: -260.506
where: short stacking energy: -157.819
Base-Backbone interact. energy: 5.557
local terms energy: -375.759896
where:
bonds (distance) C4'-P energy: -109.596
bonds (distance) P-C4' energy: -140.315
flat angles C4'-P-C4' energy: -104.436
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: 27.507
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: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2203.634693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.634693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.634693 (E_RNA)
where:
Base-Base interactions energy: -1432.927
where: short stacking energy: -689.880
Base-Backbone interact. energy: -0.742
local terms energy: -769.965068
where:
bonds (distance) C4'-P energy: -151.982
bonds (distance) P-C4' energy: -148.802
flat angles C4'-P-C4' energy: -166.641
flat angles P-C4'-P energy: -110.974
tors. eta vs tors. theta energy: -191.566
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: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2025.152449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.152449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.152449 (E_RNA)
where:
Base-Base interactions energy: -1343.379
where: short stacking energy: -595.895
Base-Backbone interact. energy: 0.350
local terms energy: -682.122829
where:
bonds (distance) C4'-P energy: -137.621
bonds (distance) P-C4' energy: -139.811
flat angles C4'-P-C4' energy: -151.254
flat angles P-C4'-P energy: -98.722
tors. eta vs tors. theta energy: -154.714
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1831.370719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.370719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.370719 (E_RNA)
where:
Base-Base interactions energy: -1173.239
where: short stacking energy: -560.304
Base-Backbone interact. energy: -2.075
local terms energy: -656.056509
where:
bonds (distance) C4'-P energy: -127.818
bonds (distance) P-C4' energy: -127.835
flat angles C4'-P-C4' energy: -168.959
flat angles P-C4'-P energy: -102.473
tors. eta vs tors. theta energy: -128.972
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: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1649.427423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.427423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.427423 (E_RNA)
where:
Base-Base interactions energy: -1032.954
where: short stacking energy: -527.764
Base-Backbone interact. energy: -3.922
local terms energy: -612.551659
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -146.095
flat angles C4'-P-C4' energy: -144.989
flat angles P-C4'-P energy: -92.766
tors. eta vs tors. theta energy: -119.496
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: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1472.743369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.743369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.743369 (E_RNA)
where:
Base-Base interactions energy: -889.135
where: short stacking energy: -459.321
Base-Backbone interact. energy: -1.989
local terms energy: -581.620092
where:
bonds (distance) C4'-P energy: -112.777
bonds (distance) P-C4' energy: -136.562
flat angles C4'-P-C4' energy: -141.514
flat angles P-C4'-P energy: -81.811
tors. eta vs tors. theta energy: -108.956
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: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1275.714063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.714063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.714063 (E_RNA)
where:
Base-Base interactions energy: -761.020
where: short stacking energy: -402.675
Base-Backbone interact. energy: -1.282
local terms energy: -513.412824
where:
bonds (distance) C4'-P energy: -114.629
bonds (distance) P-C4' energy: -130.087
flat angles C4'-P-C4' energy: -127.756
flat angles P-C4'-P energy: -65.528
tors. eta vs tors. theta energy: -75.413
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: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1144.421346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.421346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.421346 (E_RNA)
where:
Base-Base interactions energy: -664.347
where: short stacking energy: -358.363
Base-Backbone interact. energy: 6.002
local terms energy: -486.076470
where:
bonds (distance) C4'-P energy: -134.702
bonds (distance) P-C4' energy: -126.680
flat angles C4'-P-C4' energy: -115.172
flat angles P-C4'-P energy: -74.361
tors. eta vs tors. theta energy: -35.161
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: 27
Temperature: 1.250000
Total energy: -1147.384708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.384708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.384708 (E_RNA)
where:
Base-Base interactions energy: -679.917
where: short stacking energy: -326.833
Base-Backbone interact. energy: 0.006
local terms energy: -467.473538
where:
bonds (distance) C4'-P energy: -114.116
bonds (distance) P-C4' energy: -126.770
flat angles C4'-P-C4' energy: -114.969
flat angles P-C4'-P energy: -64.254
tors. eta vs tors. theta energy: -47.365
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -872.698651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.698651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.698651 (E_RNA)
where:
Base-Base interactions energy: -426.924
where: short stacking energy: -248.621
Base-Backbone interact. energy: 1.489
local terms energy: -447.263425
where:
bonds (distance) C4'-P energy: -122.005
bonds (distance) P-C4' energy: -130.659
flat angles C4'-P-C4' energy: -99.807
flat angles P-C4'-P energy: -76.453
tors. eta vs tors. theta energy: -18.339
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: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -609.181852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.181852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.181852 (E_RNA)
where:
Base-Base interactions energy: -248.702
where: short stacking energy: -160.403
Base-Backbone interact. energy: -2.748
local terms energy: -357.732250
where:
bonds (distance) C4'-P energy: -111.305
bonds (distance) P-C4' energy: -117.111
flat angles C4'-P-C4' energy: -91.330
flat angles P-C4'-P energy: -51.378
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: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2217.859939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.859939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.859939 (E_RNA)
where:
Base-Base interactions energy: -1444.500
where: short stacking energy: -706.764
Base-Backbone interact. energy: -3.923
local terms energy: -769.436734
where:
bonds (distance) C4'-P energy: -144.701
bonds (distance) P-C4' energy: -152.523
flat angles C4'-P-C4' energy: -158.428
flat angles P-C4'-P energy: -116.216
tors. eta vs tors. theta energy: -197.570
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: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1998.761662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.761662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.761662 (E_RNA)
where:
Base-Base interactions energy: -1316.190
where: short stacking energy: -602.549
Base-Backbone interact. energy: -1.462
local terms energy: -681.109691
where:
bonds (distance) C4'-P energy: -138.080
bonds (distance) P-C4' energy: -147.221
flat angles C4'-P-C4' energy: -144.233
flat angles P-C4'-P energy: -89.979
tors. eta vs tors. theta energy: -161.596
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: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1827.505190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.505190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.505190 (E_RNA)
where:
Base-Base interactions energy: -1176.274
where: short stacking energy: -548.786
Base-Backbone interact. energy: -1.166
local terms energy: -650.064580
where:
bonds (distance) C4'-P energy: -133.614
bonds (distance) P-C4' energy: -151.483
flat angles C4'-P-C4' energy: -133.314
flat angles P-C4'-P energy: -106.066
tors. eta vs tors. theta energy: -125.587
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1669.373148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.373148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.373148 (E_RNA)
where:
Base-Base interactions energy: -1051.802
where: short stacking energy: -504.461
Base-Backbone interact. energy: -1.000
local terms energy: -616.571469
where:
bonds (distance) C4'-P energy: -140.508
bonds (distance) P-C4' energy: -147.452
flat angles C4'-P-C4' energy: -139.832
flat angles P-C4'-P energy: -69.217
tors. eta vs tors. theta energy: -119.562
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: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1484.667331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.667331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.667331 (E_RNA)
where:
Base-Base interactions energy: -896.449
where: short stacking energy: -464.854
Base-Backbone interact. energy: 1.625
local terms energy: -589.843500
where:
bonds (distance) C4'-P energy: -130.902
bonds (distance) P-C4' energy: -140.976
flat angles C4'-P-C4' energy: -122.168
flat angles P-C4'-P energy: -91.726
tors. eta vs tors. theta energy: -104.072
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: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1266.413651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.413651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.413651 (E_RNA)
where:
Base-Base interactions energy: -739.833
where: short stacking energy: -391.427
Base-Backbone interact. energy: 0.417
local terms energy: -526.997826
where:
bonds (distance) C4'-P energy: -126.592
bonds (distance) P-C4' energy: -129.207
flat angles C4'-P-C4' energy: -125.372
flat angles P-C4'-P energy: -72.940
tors. eta vs tors. theta energy: -72.887
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: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1211.386596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.386596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.386596 (E_RNA)
where:
Base-Base interactions energy: -695.542
where: short stacking energy: -371.800
Base-Backbone interact. energy: -0.030
local terms energy: -515.814361
where:
bonds (distance) C4'-P energy: -124.147
bonds (distance) P-C4' energy: -145.117
flat angles C4'-P-C4' energy: -130.062
flat angles P-C4'-P energy: -75.329
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: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1008.234379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.234379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.234379 (E_RNA)
where:
Base-Base interactions energy: -550.871
where: short stacking energy: -300.481
Base-Backbone interact. energy: -0.384
local terms energy: -456.979651
where:
bonds (distance) C4'-P energy: -117.886
bonds (distance) P-C4' energy: -110.413
flat angles C4'-P-C4' energy: -122.246
flat angles P-C4'-P energy: -75.467
tors. eta vs tors. theta energy: -30.967
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: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -855.614018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.614018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.614018 (E_RNA)
where:
Base-Base interactions energy: -441.106
where: short stacking energy: -258.357
Base-Backbone interact. energy: 3.129
local terms energy: -417.636809
where:
bonds (distance) C4'-P energy: -109.825
bonds (distance) P-C4' energy: -106.718
flat angles C4'-P-C4' energy: -97.393
flat angles P-C4'-P energy: -88.349
tors. eta vs tors. theta energy: -15.352
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: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -562.582566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.582566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.582566 (E_RNA)
where:
Base-Base interactions energy: -182.884
where: short stacking energy: -140.900
Base-Backbone interact. energy: 1.800
local terms energy: -381.498810
where:
bonds (distance) C4'-P energy: -102.797
bonds (distance) P-C4' energy: -120.672
flat angles C4'-P-C4' energy: -103.567
flat angles P-C4'-P energy: -88.747
tors. eta vs tors. theta energy: 34.285
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: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2254.870635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.870635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.870635 (E_RNA)
where:
Base-Base interactions energy: -1483.765
where: short stacking energy: -685.138
Base-Backbone interact. energy: -6.448
local terms energy: -764.657505
where:
bonds (distance) C4'-P energy: -150.393
bonds (distance) P-C4' energy: -151.895
flat angles C4'-P-C4' energy: -166.363
flat angles P-C4'-P energy: -106.830
tors. eta vs tors. theta energy: -189.177
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: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2038.840720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.840720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.840720 (E_RNA)
where:
Base-Base interactions energy: -1341.565
where: short stacking energy: -601.324
Base-Backbone interact. energy: -6.430
local terms energy: -690.845842
where:
bonds (distance) C4'-P energy: -125.538
bonds (distance) P-C4' energy: -148.539
flat angles C4'-P-C4' energy: -162.671
flat angles P-C4'-P energy: -101.810
tors. eta vs tors. theta energy: -152.287
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: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1846.632110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.632110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.632110 (E_RNA)
where:
Base-Base interactions energy: -1191.840
where: short stacking energy: -578.067
Base-Backbone interact. energy: 0.718
local terms energy: -655.510388
where:
bonds (distance) C4'-P energy: -157.546
bonds (distance) P-C4' energy: -120.827
flat angles C4'-P-C4' energy: -144.996
flat angles P-C4'-P energy: -96.714
tors. eta vs tors. theta energy: -135.427
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1681.428917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.428917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.428917 (E_RNA)
where:
Base-Base interactions energy: -1033.500
where: short stacking energy: -505.573
Base-Backbone interact. energy: 1.847
local terms energy: -649.775546
where:
bonds (distance) C4'-P energy: -155.440
bonds (distance) P-C4' energy: -134.889
flat angles C4'-P-C4' energy: -146.867
flat angles P-C4'-P energy: -87.171
tors. eta vs tors. theta energy: -125.409
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: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1458.177217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.177217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.177217 (E_RNA)
where:
Base-Base interactions energy: -879.718
where: short stacking energy: -465.520
Base-Backbone interact. energy: 0.903
local terms energy: -579.361927
where:
bonds (distance) C4'-P energy: -128.545
bonds (distance) P-C4' energy: -120.549
flat angles C4'-P-C4' energy: -133.455
flat angles P-C4'-P energy: -94.727
tors. eta vs tors. theta energy: -102.086
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: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1296.925230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.925230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.925230 (E_RNA)
where:
Base-Base interactions energy: -761.424
where: short stacking energy: -402.705
Base-Backbone interact. energy: 0.739
local terms energy: -536.240484
where:
bonds (distance) C4'-P energy: -131.992
bonds (distance) P-C4' energy: -129.604
flat angles C4'-P-C4' energy: -119.968
flat angles P-C4'-P energy: -85.796
tors. eta vs tors. theta energy: -68.880
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: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1218.389762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.389762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.389762 (E_RNA)
where:
Base-Base interactions energy: -755.146
where: short stacking energy: -340.936
Base-Backbone interact. energy: 1.592
local terms energy: -464.835879
where:
bonds (distance) C4'-P energy: -119.938
bonds (distance) P-C4' energy: -122.664
flat angles C4'-P-C4' energy: -127.185
flat angles P-C4'-P energy: -57.590
tors. eta vs tors. theta energy: -37.459
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: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -998.195745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.195745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.195745 (E_RNA)
where:
Base-Base interactions energy: -528.236
where: short stacking energy: -315.718
Base-Backbone interact. energy: -1.031
local terms energy: -468.929467
where:
bonds (distance) C4'-P energy: -120.121
bonds (distance) P-C4' energy: -137.007
flat angles C4'-P-C4' energy: -98.110
flat angles P-C4'-P energy: -82.026
tors. eta vs tors. theta energy: -31.665
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: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -747.081433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.081433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.081433 (E_RNA)
where:
Base-Base interactions energy: -374.088
where: short stacking energy: -221.512
Base-Backbone interact. energy: 4.131
local terms energy: -377.124495
where:
bonds (distance) C4'-P energy: -107.484
bonds (distance) P-C4' energy: -116.621
flat angles C4'-P-C4' energy: -100.772
flat angles P-C4'-P energy: -61.543
tors. eta vs tors. theta energy: 9.296
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: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -588.216878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.216878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.216878 (E_RNA)
where:
Base-Base interactions energy: -240.094
where: short stacking energy: -190.669
Base-Backbone interact. energy: 4.252
local terms energy: -352.374857
where:
bonds (distance) C4'-P energy: -125.622
bonds (distance) P-C4' energy: -94.333
flat angles C4'-P-C4' energy: -99.409
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: 17.386
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: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2261.153288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.153288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.153288 (E_RNA)
where:
Base-Base interactions energy: -1511.149
where: short stacking energy: -694.881
Base-Backbone interact. energy: -1.871
local terms energy: -748.133280
where:
bonds (distance) C4'-P energy: -145.115
bonds (distance) P-C4' energy: -146.635
flat angles C4'-P-C4' energy: -159.998
flat angles P-C4'-P energy: -114.956
tors. eta vs tors. theta energy: -181.429
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: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2099.840070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.840070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.840070 (E_RNA)
where:
Base-Base interactions energy: -1411.287
where: short stacking energy: -621.073
Base-Backbone interact. energy: -3.190
local terms energy: -685.362748
where:
bonds (distance) C4'-P energy: -134.744
bonds (distance) P-C4' energy: -128.077
flat angles C4'-P-C4' energy: -159.149
flat angles P-C4'-P energy: -98.410
tors. eta vs tors. theta energy: -164.982
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: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1820.631483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.631483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.631483 (E_RNA)
where:
Base-Base interactions energy: -1153.045
where: short stacking energy: -538.944
Base-Backbone interact. energy: -1.419
local terms energy: -666.168337
where:
bonds (distance) C4'-P energy: -134.374
bonds (distance) P-C4' energy: -148.704
flat angles C4'-P-C4' energy: -152.135
flat angles P-C4'-P energy: -97.530
tors. eta vs tors. theta energy: -133.426
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: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1820.355919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.355919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.355919 (E_RNA)
where:
Base-Base interactions energy: -1169.175
where: short stacking energy: -549.385
Base-Backbone interact. energy: -3.617
local terms energy: -647.564492
where:
bonds (distance) C4'-P energy: -119.888
bonds (distance) P-C4' energy: -133.296
flat angles C4'-P-C4' energy: -151.516
flat angles P-C4'-P energy: -101.069
tors. eta vs tors. theta energy: -141.795
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: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1506.337386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.337386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.337386 (E_RNA)
where:
Base-Base interactions energy: -871.660
where: short stacking energy: -428.038
Base-Backbone interact. energy: 0.344
local terms energy: -635.020910
where:
bonds (distance) C4'-P energy: -141.021
bonds (distance) P-C4' energy: -146.538
flat angles C4'-P-C4' energy: -158.984
flat angles P-C4'-P energy: -90.787
tors. eta vs tors. theta energy: -97.690
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: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1372.930120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.930120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.930120 (E_RNA)
where:
Base-Base interactions energy: -801.859
where: short stacking energy: -388.916
Base-Backbone interact. energy: 5.986
local terms energy: -577.057418
where:
bonds (distance) C4'-P energy: -126.058
bonds (distance) P-C4' energy: -147.528
flat angles C4'-P-C4' energy: -132.617
flat angles P-C4'-P energy: -88.979
tors. eta vs tors. theta energy: -81.875
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: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1263.354444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.354444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.354444 (E_RNA)
where:
Base-Base interactions energy: -767.639
where: short stacking energy: -386.351
Base-Backbone interact. energy: -2.227
local terms energy: -493.489152
where:
bonds (distance) C4'-P energy: -109.267
bonds (distance) P-C4' energy: -127.847
flat angles C4'-P-C4' energy: -123.364
flat angles P-C4'-P energy: -78.863
tors. eta vs tors. theta energy: -54.148
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: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1068.836210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.836210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.836210 (E_RNA)
where:
Base-Base interactions energy: -582.153
where: short stacking energy: -339.559
Base-Backbone interact. energy: 3.600
local terms energy: -490.282583
where:
bonds (distance) C4'-P energy: -118.414
bonds (distance) P-C4' energy: -141.327
flat angles C4'-P-C4' energy: -111.694
flat angles P-C4'-P energy: -79.255
tors. eta vs tors. theta energy: -39.593
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: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -825.310784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.310784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.310784 (E_RNA)
where:
Base-Base interactions energy: -412.560
where: short stacking energy: -219.503
Base-Backbone interact. energy: 3.642
local terms energy: -416.392513
where:
bonds (distance) C4'-P energy: -116.841
bonds (distance) P-C4' energy: -139.787
flat angles C4'-P-C4' energy: -103.866
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: 7.780
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: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -567.821614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.821614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.821614 (E_RNA)
where:
Base-Base interactions energy: -202.244
where: short stacking energy: -139.106
Base-Backbone interact. energy: -2.264
local terms energy: -363.314201
where:
bonds (distance) C4'-P energy: -118.177
bonds (distance) P-C4' energy: -135.953
flat angles C4'-P-C4' energy: -100.197
flat angles P-C4'-P energy: -50.188
tors. eta vs tors. theta energy: 41.201
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: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2248.320115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.320115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.320115 (E_RNA)
where:
Base-Base interactions energy: -1506.795
where: short stacking energy: -664.914
Base-Backbone interact. energy: -4.219
local terms energy: -737.305847
where:
bonds (distance) C4'-P energy: -139.915
bonds (distance) P-C4' energy: -142.517
flat angles C4'-P-C4' energy: -171.281
flat angles P-C4'-P energy: -109.427
tors. eta vs tors. theta energy: -174.166
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: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2073.553351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.553351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.553351 (E_RNA)
where:
Base-Base interactions energy: -1411.530
where: short stacking energy: -615.979
Base-Backbone interact. energy: -3.311
local terms energy: -658.711732
where:
bonds (distance) C4'-P energy: -138.995
bonds (distance) P-C4' energy: -150.045
flat angles C4'-P-C4' energy: -146.053
flat angles P-C4'-P energy: -78.463
tors. eta vs tors. theta energy: -145.155
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: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1872.214282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.214282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.214282 (E_RNA)
where:
Base-Base interactions energy: -1224.629
where: short stacking energy: -608.159
Base-Backbone interact. energy: 0.606
local terms energy: -648.191117
where:
bonds (distance) C4'-P energy: -132.047
bonds (distance) P-C4' energy: -137.031
flat angles C4'-P-C4' energy: -155.274
flat angles P-C4'-P energy: -80.951
tors. eta vs tors. theta energy: -142.889
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: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1839.026355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.026355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.026355 (E_RNA)
where:
Base-Base interactions energy: -1178.149
where: short stacking energy: -543.927
Base-Backbone interact. energy: -3.215
local terms energy: -657.662457
where:
bonds (distance) C4'-P energy: -135.258
bonds (distance) P-C4' energy: -144.530
flat angles C4'-P-C4' energy: -153.159
flat angles P-C4'-P energy: -82.023
tors. eta vs tors. theta energy: -142.692
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: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1550.242732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.242732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.242732 (E_RNA)
where:
Base-Base interactions energy: -934.290
where: short stacking energy: -464.388
Base-Backbone interact. energy: -1.054
local terms energy: -614.898463
where:
bonds (distance) C4'-P energy: -120.569
bonds (distance) P-C4' energy: -143.913
flat angles C4'-P-C4' energy: -130.997
flat angles P-C4'-P energy: -107.802
tors. eta vs tors. theta energy: -111.618
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: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1404.800517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.800517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.800517 (E_RNA)
where:
Base-Base interactions energy: -852.732
where: short stacking energy: -420.145
Base-Backbone interact. energy: -0.332
local terms energy: -551.737217
where:
bonds (distance) C4'-P energy: -115.465
bonds (distance) P-C4' energy: -127.004
flat angles C4'-P-C4' energy: -141.623
flat angles P-C4'-P energy: -74.810
tors. eta vs tors. theta energy: -92.835
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1248.496351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.496351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.496351 (E_RNA)
where:
Base-Base interactions energy: -734.595
where: short stacking energy: -356.191
Base-Backbone interact. energy: -0.847
local terms energy: -513.054578
where:
bonds (distance) C4'-P energy: -124.450
bonds (distance) P-C4' energy: -124.616
flat angles C4'-P-C4' energy: -120.865
flat angles P-C4'-P energy: -90.069
tors. eta vs tors. theta energy: -53.055
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: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1025.626697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.626697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.626697 (E_RNA)
where:
Base-Base interactions energy: -538.002
where: short stacking energy: -308.549
Base-Backbone interact. energy: 1.753
local terms energy: -489.378110
where:
bonds (distance) C4'-P energy: -131.624
bonds (distance) P-C4' energy: -120.789
flat angles C4'-P-C4' energy: -133.050
flat angles P-C4'-P energy: -64.769
tors. eta vs tors. theta energy: -39.147
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: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -871.039505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.039505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.039505 (E_RNA)
where:
Base-Base interactions energy: -459.735
where: short stacking energy: -238.199
Base-Backbone interact. energy: 5.736
local terms energy: -417.040004
where:
bonds (distance) C4'-P energy: -102.181
bonds (distance) P-C4' energy: -117.306
flat angles C4'-P-C4' energy: -126.846
flat angles P-C4'-P energy: -61.891
tors. eta vs tors. theta energy: -8.816
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: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -568.016990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.016990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.016990 (E_RNA)
where:
Base-Base interactions energy: -200.150
where: short stacking energy: -163.577
Base-Backbone interact. energy: 0.148
local terms energy: -368.015186
where:
bonds (distance) C4'-P energy: -122.521
bonds (distance) P-C4' energy: -97.052
flat angles C4'-P-C4' energy: -115.049
flat angles P-C4'-P energy: -64.789
tors. eta vs tors. theta energy: 31.396
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: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2268.362553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.362553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.362553 (E_RNA)
where:
Base-Base interactions energy: -1494.696
where: short stacking energy: -660.735
Base-Backbone interact. energy: -5.217
local terms energy: -768.449971
where:
bonds (distance) C4'-P energy: -165.644
bonds (distance) P-C4' energy: -140.405
flat angles C4'-P-C4' energy: -167.857
flat angles P-C4'-P energy: -122.723
tors. eta vs tors. theta energy: -171.821
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: 32
Temperature: 0.950000
Total energy: -2077.760179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.760179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.760179 (E_RNA)
where:
Base-Base interactions energy: -1400.721
where: short stacking energy: -579.477
Base-Backbone interact. energy: -6.026
local terms energy: -671.013756
where:
bonds (distance) C4'-P energy: -145.058
bonds (distance) P-C4' energy: -139.849
flat angles C4'-P-C4' energy: -155.894
flat angles P-C4'-P energy: -93.488
tors. eta vs tors. theta energy: -136.725
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: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1925.027252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.027252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.027252 (E_RNA)
where:
Base-Base interactions energy: -1263.880
where: short stacking energy: -588.451
Base-Backbone interact. energy: -4.405
local terms energy: -656.742748
where:
bonds (distance) C4'-P energy: -136.595
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -140.146
flat angles P-C4'-P energy: -90.007
tors. eta vs tors. theta energy: -148.575
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: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1804.092144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.092144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.092144 (E_RNA)
where:
Base-Base interactions energy: -1171.218
where: short stacking energy: -550.162
Base-Backbone interact. energy: 0.378
local terms energy: -633.252826
where:
bonds (distance) C4'-P energy: -136.000
bonds (distance) P-C4' energy: -136.836
flat angles C4'-P-C4' energy: -143.042
flat angles P-C4'-P energy: -88.243
tors. eta vs tors. theta energy: -129.131
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: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1504.243577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.243577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.243577 (E_RNA)
where:
Base-Base interactions energy: -931.455
where: short stacking energy: -473.556
Base-Backbone interact. energy: -1.263
local terms energy: -571.525172
where:
bonds (distance) C4'-P energy: -110.801
bonds (distance) P-C4' energy: -139.046
flat angles C4'-P-C4' energy: -129.354
flat angles P-C4'-P energy: -83.329
tors. eta vs tors. theta energy: -108.995
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: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1466.429396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.429396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.429396 (E_RNA)
where:
Base-Base interactions energy: -876.644
where: short stacking energy: -459.207
Base-Backbone interact. energy: -1.394
local terms energy: -588.391377
where:
bonds (distance) C4'-P energy: -135.596
bonds (distance) P-C4' energy: -143.776
flat angles C4'-P-C4' energy: -112.735
flat angles P-C4'-P energy: -81.034
tors. eta vs tors. theta energy: -115.251
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: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1320.622428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.622428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.622428 (E_RNA)
where:
Base-Base interactions energy: -818.456
where: short stacking energy: -375.585
Base-Backbone interact. energy: 3.734
local terms energy: -505.900217
where:
bonds (distance) C4'-P energy: -126.896
bonds (distance) P-C4' energy: -125.836
flat angles C4'-P-C4' energy: -112.838
flat angles P-C4'-P energy: -67.324
tors. eta vs tors. theta energy: -73.006
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: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1043.151413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.151413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.151413 (E_RNA)
where:
Base-Base interactions energy: -592.576
where: short stacking energy: -324.661
Base-Backbone interact. energy: -0.584
local terms energy: -449.991593
where:
bonds (distance) C4'-P energy: -108.071
bonds (distance) P-C4' energy: -104.723
flat angles C4'-P-C4' energy: -123.236
flat angles P-C4'-P energy: -64.009
tors. eta vs tors. theta energy: -49.953
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: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -880.211612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.211612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.211612 (E_RNA)
where:
Base-Base interactions energy: -463.931
where: short stacking energy: -241.188
Base-Backbone interact. energy: -2.686
local terms energy: -413.594616
where:
bonds (distance) C4'-P energy: -104.623
bonds (distance) P-C4' energy: -131.690
flat angles C4'-P-C4' energy: -103.354
flat angles P-C4'-P energy: -63.208
tors. eta vs tors. theta energy: -10.719
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: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -570.464184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.464184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.464184 (E_RNA)
where:
Base-Base interactions energy: -203.109
where: short stacking energy: -172.536
Base-Backbone interact. energy: 2.090
local terms energy: -369.445301
where:
bonds (distance) C4'-P energy: -120.462
bonds (distance) P-C4' energy: -114.948
flat angles C4'-P-C4' energy: -89.786
flat angles P-C4'-P energy: -54.221
tors. eta vs tors. theta energy: 9.972
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: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2271.800196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.800196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.800196 (E_RNA)
where:
Base-Base interactions energy: -1510.066
where: short stacking energy: -675.343
Base-Backbone interact. energy: -4.593
local terms energy: -757.141775
where:
bonds (distance) C4'-P energy: -148.234
bonds (distance) P-C4' energy: -157.016
flat angles C4'-P-C4' energy: -158.849
flat angles P-C4'-P energy: -114.435
tors. eta vs tors. theta energy: -178.607
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: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2164.089171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.089171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.089171 (E_RNA)
where:
Base-Base interactions energy: -1462.704
where: short stacking energy: -610.060
Base-Backbone interact. energy: -2.362
local terms energy: -699.023914
where:
bonds (distance) C4'-P energy: -144.992
bonds (distance) P-C4' energy: -150.135
flat angles C4'-P-C4' energy: -147.329
flat angles P-C4'-P energy: -101.463
tors. eta vs tors. theta energy: -155.105
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: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1900.375342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.375342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.375342 (E_RNA)
where:
Base-Base interactions energy: -1245.493
where: short stacking energy: -565.575
Base-Backbone interact. energy: 0.562
local terms energy: -655.444100
where:
bonds (distance) C4'-P energy: -120.593
bonds (distance) P-C4' energy: -135.379
flat angles C4'-P-C4' energy: -149.035
flat angles P-C4'-P energy: -94.116
tors. eta vs tors. theta energy: -156.322
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: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1757.419770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.419770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.419770 (E_RNA)
where:
Base-Base interactions energy: -1122.048
where: short stacking energy: -526.614
Base-Backbone interact. energy: 1.800
local terms energy: -637.172060
where:
bonds (distance) C4'-P energy: -128.613
bonds (distance) P-C4' energy: -139.873
flat angles C4'-P-C4' energy: -145.866
flat angles P-C4'-P energy: -95.786
tors. eta vs tors. theta energy: -127.034
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: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1529.995390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.995390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.995390 (E_RNA)
where:
Base-Base interactions energy: -955.340
where: short stacking energy: -482.680
Base-Backbone interact. energy: -2.563
local terms energy: -572.091914
where:
bonds (distance) C4'-P energy: -134.624
bonds (distance) P-C4' energy: -128.863
flat angles C4'-P-C4' energy: -127.571
flat angles P-C4'-P energy: -85.127
tors. eta vs tors. theta energy: -95.907
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: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1413.001849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.001849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.001849 (E_RNA)
where:
Base-Base interactions energy: -881.437
where: short stacking energy: -472.456
Base-Backbone interact. energy: 2.505
local terms energy: -534.070273
where:
bonds (distance) C4'-P energy: -118.839
bonds (distance) P-C4' energy: -122.517
flat angles C4'-P-C4' energy: -118.702
flat angles P-C4'-P energy: -69.954
tors. eta vs tors. theta energy: -104.059
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: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1314.697785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.697785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.697785 (E_RNA)
where:
Base-Base interactions energy: -797.480
where: short stacking energy: -390.378
Base-Backbone interact. energy: -0.520
local terms energy: -516.697835
where:
bonds (distance) C4'-P energy: -122.143
bonds (distance) P-C4' energy: -137.495
flat angles C4'-P-C4' energy: -129.738
flat angles P-C4'-P energy: -67.122
tors. eta vs tors. theta energy: -60.200
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: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1069.854870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.854870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.854870 (E_RNA)
where:
Base-Base interactions energy: -568.423
where: short stacking energy: -297.692
Base-Backbone interact. energy: -0.594
local terms energy: -500.837712
where:
bonds (distance) C4'-P energy: -104.529
bonds (distance) P-C4' energy: -131.139
flat angles C4'-P-C4' energy: -129.471
flat angles P-C4'-P energy: -86.101
tors. eta vs tors. theta energy: -49.598
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: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -744.285471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.285471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.285471 (E_RNA)
where:
Base-Base interactions energy: -333.289
where: short stacking energy: -200.964
Base-Backbone interact. energy: -4.563
local terms energy: -406.434163
where:
bonds (distance) C4'-P energy: -119.653
bonds (distance) P-C4' energy: -136.918
flat angles C4'-P-C4' energy: -108.284
flat angles P-C4'-P energy: -54.118
tors. eta vs tors. theta energy: 12.539
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: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -567.713077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.713077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.713077 (E_RNA)
where:
Base-Base interactions energy: -184.897
where: short stacking energy: -151.910
Base-Backbone interact. energy: -0.018
local terms energy: -382.797597
where:
bonds (distance) C4'-P energy: -139.505
bonds (distance) P-C4' energy: -135.921
flat angles C4'-P-C4' energy: -95.161
flat angles P-C4'-P energy: -51.866
tors. eta vs tors. theta energy: 39.655
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: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2256.543029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.543029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.543029 (E_RNA)
where:
Base-Base interactions energy: -1506.295
where: short stacking energy: -657.757
Base-Backbone interact. energy: -6.612
local terms energy: -743.635655
where:
bonds (distance) C4'-P energy: -160.916
bonds (distance) P-C4' energy: -153.819
flat angles C4'-P-C4' energy: -165.706
flat angles P-C4'-P energy: -83.505
tors. eta vs tors. theta energy: -179.689
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: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2136.762037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.762037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.762037 (E_RNA)
where:
Base-Base interactions energy: -1416.552
where: short stacking energy: -597.373
Base-Backbone interact. energy: -5.964
local terms energy: -714.245515
where:
bonds (distance) C4'-P energy: -133.296
bonds (distance) P-C4' energy: -159.205
flat angles C4'-P-C4' energy: -154.736
flat angles P-C4'-P energy: -108.508
tors. eta vs tors. theta energy: -158.501
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: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1968.785090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.785090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.785090 (E_RNA)
where:
Base-Base interactions energy: -1284.012
where: short stacking energy: -560.775
Base-Backbone interact. energy: -2.114
local terms energy: -682.658551
where:
bonds (distance) C4'-P energy: -145.327
bonds (distance) P-C4' energy: -140.561
flat angles C4'-P-C4' energy: -141.908
flat angles P-C4'-P energy: -98.592
tors. eta vs tors. theta energy: -156.270
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: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1762.305854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.305854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.305854 (E_RNA)
where:
Base-Base interactions energy: -1133.618
where: short stacking energy: -522.077
Base-Backbone interact. energy: -0.147
local terms energy: -628.540910
where:
bonds (distance) C4'-P energy: -131.929
bonds (distance) P-C4' energy: -145.785
flat angles C4'-P-C4' energy: -134.911
flat angles P-C4'-P energy: -104.846
tors. eta vs tors. theta energy: -111.068
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: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1569.066746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.066746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.066746 (E_RNA)
where:
Base-Base interactions energy: -980.895
where: short stacking energy: -477.762
Base-Backbone interact. energy: 2.468
local terms energy: -590.639444
where:
bonds (distance) C4'-P energy: -108.715
bonds (distance) P-C4' energy: -129.033
flat angles C4'-P-C4' energy: -148.480
flat angles P-C4'-P energy: -95.238
tors. eta vs tors. theta energy: -109.173
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: 34
Temperature: 1.150000
Total energy: -1372.565071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.565071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.565071 (E_RNA)
where:
Base-Base interactions energy: -817.425
where: short stacking energy: -448.773
Base-Backbone interact. energy: -3.386
local terms energy: -551.753947
where:
bonds (distance) C4'-P energy: -132.087
bonds (distance) P-C4' energy: -126.460
flat angles C4'-P-C4' energy: -131.912
flat angles P-C4'-P energy: -69.845
tors. eta vs tors. theta energy: -91.450
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1323.540323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.540323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.540323 (E_RNA)
where:
Base-Base interactions energy: -797.314
where: short stacking energy: -404.950
Base-Backbone interact. energy: 4.623
local terms energy: -530.849553
where:
bonds (distance) C4'-P energy: -121.408
bonds (distance) P-C4' energy: -130.380
flat angles C4'-P-C4' energy: -124.489
flat angles P-C4'-P energy: -68.600
tors. eta vs tors. theta energy: -85.971
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: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1022.567486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.567486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.567486 (E_RNA)
where:
Base-Base interactions energy: -572.843
where: short stacking energy: -294.145
Base-Backbone interact. energy: -5.047
local terms energy: -444.677284
where:
bonds (distance) C4'-P energy: -122.144
bonds (distance) P-C4' energy: -128.630
flat angles C4'-P-C4' energy: -126.988
flat angles P-C4'-P energy: -43.093
tors. eta vs tors. theta energy: -23.822
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: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -595.448950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.448950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.448950 (E_RNA)
where:
Base-Base interactions energy: -219.013
where: short stacking energy: -193.905
Base-Backbone interact. energy: 3.747
local terms energy: -380.182848
where:
bonds (distance) C4'-P energy: -120.383
bonds (distance) P-C4' energy: -130.165
flat angles C4'-P-C4' energy: -84.898
flat angles P-C4'-P energy: -69.101
tors. eta vs tors. theta energy: 24.363
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: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -561.680229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.680229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.680229 (E_RNA)
where:
Base-Base interactions energy: -196.353
where: short stacking energy: -176.417
Base-Backbone interact. energy: 2.462
local terms energy: -367.789354
where:
bonds (distance) C4'-P energy: -112.949
bonds (distance) P-C4' energy: -113.501
flat angles C4'-P-C4' energy: -87.113
flat angles P-C4'-P energy: -62.318
tors. eta vs tors. theta energy: 8.091
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: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2242.964227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.964227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.964227 (E_RNA)
where:
Base-Base interactions energy: -1499.213
where: short stacking energy: -666.060
Base-Backbone interact. energy: -5.037
local terms energy: -738.714176
where:
bonds (distance) C4'-P energy: -136.829
bonds (distance) P-C4' energy: -150.609
flat angles C4'-P-C4' energy: -168.054
flat angles P-C4'-P energy: -106.264
tors. eta vs tors. theta energy: -176.959
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: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2151.873544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.873544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.873544 (E_RNA)
where:
Base-Base interactions energy: -1456.823
where: short stacking energy: -639.391
Base-Backbone interact. energy: -3.832
local terms energy: -691.218038
where:
bonds (distance) C4'-P energy: -152.914
bonds (distance) P-C4' energy: -135.154
flat angles C4'-P-C4' energy: -152.966
flat angles P-C4'-P energy: -92.216
tors. eta vs tors. theta energy: -157.968
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: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1894.281185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.281185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.281185 (E_RNA)
where:
Base-Base interactions energy: -1237.003
where: short stacking energy: -563.406
Base-Backbone interact. energy: -2.058
local terms energy: -655.220678
where:
bonds (distance) C4'-P energy: -136.689
bonds (distance) P-C4' energy: -130.173
flat angles C4'-P-C4' energy: -140.485
flat angles P-C4'-P energy: -100.717
tors. eta vs tors. theta energy: -147.157
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1796.962132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.962132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.962132 (E_RNA)
where:
Base-Base interactions energy: -1172.034
where: short stacking energy: -527.596
Base-Backbone interact. energy: -3.864
local terms energy: -621.063811
where:
bonds (distance) C4'-P energy: -139.806
bonds (distance) P-C4' energy: -136.135
flat angles C4'-P-C4' energy: -135.726
flat angles P-C4'-P energy: -82.094
tors. eta vs tors. theta energy: -127.303
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: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1535.476031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.476031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.476031 (E_RNA)
where:
Base-Base interactions energy: -947.532
where: short stacking energy: -458.129
Base-Backbone interact. energy: -5.806
local terms energy: -582.138339
where:
bonds (distance) C4'-P energy: -122.405
bonds (distance) P-C4' energy: -137.555
flat angles C4'-P-C4' energy: -126.797
flat angles P-C4'-P energy: -81.886
tors. eta vs tors. theta energy: -113.494
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: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1415.654142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.654142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.654142 (E_RNA)
where:
Base-Base interactions energy: -869.088
where: short stacking energy: -468.821
Base-Backbone interact. energy: 3.636
local terms energy: -550.201951
where:
bonds (distance) C4'-P energy: -107.075
bonds (distance) P-C4' energy: -135.446
flat angles C4'-P-C4' energy: -130.236
flat angles P-C4'-P energy: -79.703
tors. eta vs tors. theta energy: -97.742
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: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1296.668055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.668055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.668055 (E_RNA)
where:
Base-Base interactions energy: -776.099
where: short stacking energy: -404.010
Base-Backbone interact. energy: -0.237
local terms energy: -520.332309
where:
bonds (distance) C4'-P energy: -119.254
bonds (distance) P-C4' energy: -126.288
flat angles C4'-P-C4' energy: -130.976
flat angles P-C4'-P energy: -81.952
tors. eta vs tors. theta energy: -61.863
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: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1056.969105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.969105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.969105 (E_RNA)
where:
Base-Base interactions energy: -578.423
where: short stacking energy: -288.579
Base-Backbone interact. energy: -0.686
local terms energy: -477.860580
where:
bonds (distance) C4'-P energy: -135.970
bonds (distance) P-C4' energy: -137.430
flat angles C4'-P-C4' energy: -117.343
flat angles P-C4'-P energy: -53.056
tors. eta vs tors. theta energy: -34.062
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: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -608.980408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.980408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.980408 (E_RNA)
where:
Base-Base interactions energy: -226.338
where: short stacking energy: -215.624
Base-Backbone interact. energy: 1.073
local terms energy: -383.715252
where:
bonds (distance) C4'-P energy: -109.769
bonds (distance) P-C4' energy: -135.271
flat angles C4'-P-C4' energy: -97.920
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: 0.381
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: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -565.492236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.492236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.492236 (E_RNA)
where:
Base-Base interactions energy: -162.349
where: short stacking energy: -138.262
Base-Backbone interact. energy: -0.608
local terms energy: -402.534767
where:
bonds (distance) C4'-P energy: -119.827
bonds (distance) P-C4' energy: -126.354
flat angles C4'-P-C4' energy: -99.162
flat angles P-C4'-P energy: -88.115
tors. eta vs tors. theta energy: 30.923
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: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2239.850030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.850030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.850030 (E_RNA)
where:
Base-Base interactions energy: -1501.193
where: short stacking energy: -653.061
Base-Backbone interact. energy: -3.258
local terms energy: -735.398142
where:
bonds (distance) C4'-P energy: -144.912
bonds (distance) P-C4' energy: -142.687
flat angles C4'-P-C4' energy: -157.885
flat angles P-C4'-P energy: -111.413
tors. eta vs tors. theta energy: -178.501
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: 36
Temperature: 0.950000
Total energy: -2164.205082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.205082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.205082 (E_RNA)
where:
Base-Base interactions energy: -1449.282
where: short stacking energy: -609.105
Base-Backbone interact. energy: -1.830
local terms energy: -713.092861
where:
bonds (distance) C4'-P energy: -136.052
bonds (distance) P-C4' energy: -156.216
flat angles C4'-P-C4' energy: -164.633
flat angles P-C4'-P energy: -97.460
tors. eta vs tors. theta energy: -158.731
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: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1951.000927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.000927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.000927 (E_RNA)
where:
Base-Base interactions energy: -1250.540
where: short stacking energy: -588.489
Base-Backbone interact. energy: -4.315
local terms energy: -696.146368
where:
bonds (distance) C4'-P energy: -122.674
bonds (distance) P-C4' energy: -144.207
flat angles C4'-P-C4' energy: -154.353
flat angles P-C4'-P energy: -113.895
tors. eta vs tors. theta energy: -161.018
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: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1785.982892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.982892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.982892 (E_RNA)
where:
Base-Base interactions energy: -1154.645
where: short stacking energy: -552.434
Base-Backbone interact. energy: 1.033
local terms energy: -632.370742
where:
bonds (distance) C4'-P energy: -124.588
bonds (distance) P-C4' energy: -138.957
flat angles C4'-P-C4' energy: -147.107
flat angles P-C4'-P energy: -87.379
tors. eta vs tors. theta energy: -134.339
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: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1561.769260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.769260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.769260 (E_RNA)
where:
Base-Base interactions energy: -973.900
where: short stacking energy: -456.677
Base-Backbone interact. energy: -2.862
local terms energy: -585.007567
where:
bonds (distance) C4'-P energy: -127.843
bonds (distance) P-C4' energy: -119.804
flat angles C4'-P-C4' energy: -141.855
flat angles P-C4'-P energy: -88.356
tors. eta vs tors. theta energy: -107.150
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: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1437.051382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.051382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.051382 (E_RNA)
where:
Base-Base interactions energy: -889.921
where: short stacking energy: -431.747
Base-Backbone interact. energy: 2.019
local terms energy: -549.149708
where:
bonds (distance) C4'-P energy: -130.155
bonds (distance) P-C4' energy: -127.558
flat angles C4'-P-C4' energy: -123.032
flat angles P-C4'-P energy: -74.005
tors. eta vs tors. theta energy: -94.400
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: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1252.459512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.459512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.459512 (E_RNA)
where:
Base-Base interactions energy: -766.375
where: short stacking energy: -367.102
Base-Backbone interact. energy: -1.391
local terms energy: -484.693432
where:
bonds (distance) C4'-P energy: -128.463
bonds (distance) P-C4' energy: -110.881
flat angles C4'-P-C4' energy: -114.949
flat angles P-C4'-P energy: -90.134
tors. eta vs tors. theta energy: -40.267
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1007.080356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.080356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.080356 (E_RNA)
where:
Base-Base interactions energy: -571.580
where: short stacking energy: -288.713
Base-Backbone interact. energy: 2.269
local terms energy: -437.769157
where:
bonds (distance) C4'-P energy: -117.133
bonds (distance) P-C4' energy: -119.183
flat angles C4'-P-C4' energy: -117.495
flat angles P-C4'-P energy: -72.817
tors. eta vs tors. theta energy: -11.141
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: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -682.971077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.971077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.971077 (E_RNA)
where:
Base-Base interactions energy: -286.469
where: short stacking energy: -178.265
Base-Backbone interact. energy: 5.882
local terms energy: -402.384079
where:
bonds (distance) C4'-P energy: -101.263
bonds (distance) P-C4' energy: -128.769
flat angles C4'-P-C4' energy: -107.075
flat angles P-C4'-P energy: -75.817
tors. eta vs tors. theta energy: 10.539
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: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -546.935076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.935076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.935076 (E_RNA)
where:
Base-Base interactions energy: -210.479
where: short stacking energy: -183.209
Base-Backbone interact. energy: 4.319
local terms energy: -340.775121
where:
bonds (distance) C4'-P energy: -116.375
bonds (distance) P-C4' energy: -110.352
flat angles C4'-P-C4' energy: -86.685
flat angles P-C4'-P energy: -51.505
tors. eta vs tors. theta energy: 24.142
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: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2275.087489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.087489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.087489 (E_RNA)
where:
Base-Base interactions energy: -1531.267
where: short stacking energy: -676.234
Base-Backbone interact. energy: -4.970
local terms energy: -738.850052
where:
bonds (distance) C4'-P energy: -120.599
bonds (distance) P-C4' energy: -164.168
flat angles C4'-P-C4' energy: -159.175
flat angles P-C4'-P energy: -111.266
tors. eta vs tors. theta energy: -183.642
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: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2151.802824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.802824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.802824 (E_RNA)
where:
Base-Base interactions energy: -1423.442
where: short stacking energy: -609.809
Base-Backbone interact. energy: -6.170
local terms energy: -722.191732
where:
bonds (distance) C4'-P energy: -145.080
bonds (distance) P-C4' energy: -159.122
flat angles C4'-P-C4' energy: -158.954
flat angles P-C4'-P energy: -100.334
tors. eta vs tors. theta energy: -158.703
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: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1977.433047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.433047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.433047 (E_RNA)
where:
Base-Base interactions energy: -1303.559
where: short stacking energy: -623.397
Base-Backbone interact. energy: -1.520
local terms energy: -672.354090
where:
bonds (distance) C4'-P energy: -137.281
bonds (distance) P-C4' energy: -143.632
flat angles C4'-P-C4' energy: -130.350
flat angles P-C4'-P energy: -98.764
tors. eta vs tors. theta energy: -162.328
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: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1845.956507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.956507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.956507 (E_RNA)
where:
Base-Base interactions energy: -1197.124
where: short stacking energy: -569.052
Base-Backbone interact. energy: 2.987
local terms energy: -651.819425
where:
bonds (distance) C4'-P energy: -127.859
bonds (distance) P-C4' energy: -143.544
flat angles C4'-P-C4' energy: -148.362
flat angles P-C4'-P energy: -104.424
tors. eta vs tors. theta energy: -127.631
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: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1583.488804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.488804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.488804 (E_RNA)
where:
Base-Base interactions energy: -993.708
where: short stacking energy: -487.615
Base-Backbone interact. energy: 0.546
local terms energy: -590.326755
where:
bonds (distance) C4'-P energy: -124.274
bonds (distance) P-C4' energy: -123.941
flat angles C4'-P-C4' energy: -154.168
flat angles P-C4'-P energy: -70.932
tors. eta vs tors. theta energy: -117.012
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: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1469.141023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.141023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.141023 (E_RNA)
where:
Base-Base interactions energy: -941.468
where: short stacking energy: -453.180
Base-Backbone interact. energy: -0.412
local terms energy: -527.260489
where:
bonds (distance) C4'-P energy: -119.137
bonds (distance) P-C4' energy: -117.103
flat angles C4'-P-C4' energy: -117.364
flat angles P-C4'-P energy: -85.273
tors. eta vs tors. theta energy: -88.384
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: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1264.448855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.448855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.448855 (E_RNA)
where:
Base-Base interactions energy: -724.526
where: short stacking energy: -378.547
Base-Backbone interact. energy: 2.721
local terms energy: -542.643750
where:
bonds (distance) C4'-P energy: -125.312
bonds (distance) P-C4' energy: -132.641
flat angles C4'-P-C4' energy: -117.385
flat angles P-C4'-P energy: -84.286
tors. eta vs tors. theta energy: -83.020
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: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1058.269041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.269041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.269041 (E_RNA)
where:
Base-Base interactions energy: -596.172
where: short stacking energy: -299.057
Base-Backbone interact. energy: -0.735
local terms energy: -461.362070
where:
bonds (distance) C4'-P energy: -128.169
bonds (distance) P-C4' energy: -114.116
flat angles C4'-P-C4' energy: -109.019
flat angles P-C4'-P energy: -88.610
tors. eta vs tors. theta energy: -21.448
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: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -710.645517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.645517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.645517 (E_RNA)
where:
Base-Base interactions energy: -318.039
where: short stacking energy: -220.439
Base-Backbone interact. energy: 2.086
local terms energy: -394.691722
where:
bonds (distance) C4'-P energy: -119.124
bonds (distance) P-C4' energy: -124.678
flat angles C4'-P-C4' energy: -81.563
flat angles P-C4'-P energy: -68.136
tors. eta vs tors. theta energy: -1.191
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: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -632.718274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.718274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.718274 (E_RNA)
where:
Base-Base interactions energy: -255.377
where: short stacking energy: -166.672
Base-Backbone interact. energy: -3.766
local terms energy: -373.574598
where:
bonds (distance) C4'-P energy: -117.301
bonds (distance) P-C4' energy: -128.870
flat angles C4'-P-C4' energy: -108.472
flat angles P-C4'-P energy: -50.661
tors. eta vs tors. theta energy: 31.730
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: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2262.412664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.412664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.412664 (E_RNA)
where:
Base-Base interactions energy: -1547.764
where: short stacking energy: -631.578
Base-Backbone interact. energy: -7.872
local terms energy: -706.776072
where:
bonds (distance) C4'-P energy: -140.940
bonds (distance) P-C4' energy: -139.656
flat angles C4'-P-C4' energy: -164.032
flat angles P-C4'-P energy: -94.832
tors. eta vs tors. theta energy: -167.316
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: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2134.350236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.350236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.350236 (E_RNA)
where:
Base-Base interactions energy: -1417.538
where: short stacking energy: -615.158
Base-Backbone interact. energy: -8.777
local terms energy: -708.035555
where:
bonds (distance) C4'-P energy: -143.190
bonds (distance) P-C4' energy: -148.841
flat angles C4'-P-C4' energy: -155.318
flat angles P-C4'-P energy: -91.633
tors. eta vs tors. theta energy: -169.054
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: 38
Temperature: 1.000000
Total energy: -1995.034402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.034402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.034402 (E_RNA)
where:
Base-Base interactions energy: -1328.750
where: short stacking energy: -605.095
Base-Backbone interact. energy: 0.272
local terms energy: -666.556976
where:
bonds (distance) C4'-P energy: -131.758
bonds (distance) P-C4' energy: -137.509
flat angles C4'-P-C4' energy: -153.027
flat angles P-C4'-P energy: -95.904
tors. eta vs tors. theta energy: -148.359
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: 38
Temperature: 1.050000
Total energy: -1872.965049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.965049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.965049 (E_RNA)
where:
Base-Base interactions energy: -1215.286
where: short stacking energy: -585.859
Base-Backbone interact. energy: 3.007
local terms energy: -660.685406
where:
bonds (distance) C4'-P energy: -134.687
bonds (distance) P-C4' energy: -139.639
flat angles C4'-P-C4' energy: -141.405
flat angles P-C4'-P energy: -97.386
tors. eta vs tors. theta energy: -147.568
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: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1602.716356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.716356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.716356 (E_RNA)
where:
Base-Base interactions energy: -995.162
where: short stacking energy: -480.234
Base-Backbone interact. energy: 2.424
local terms energy: -609.978402
where:
bonds (distance) C4'-P energy: -150.340
bonds (distance) P-C4' energy: -131.971
flat angles C4'-P-C4' energy: -139.134
flat angles P-C4'-P energy: -85.401
tors. eta vs tors. theta energy: -103.131
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: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1549.393289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.393289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.393289 (E_RNA)
where:
Base-Base interactions energy: -984.002
where: short stacking energy: -443.432
Base-Backbone interact. energy: -4.329
local terms energy: -561.061817
where:
bonds (distance) C4'-P energy: -119.153
bonds (distance) P-C4' energy: -125.724
flat angles C4'-P-C4' energy: -131.212
flat angles P-C4'-P energy: -89.897
tors. eta vs tors. theta energy: -95.076
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: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1217.191730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.191730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.191730 (E_RNA)
where:
Base-Base interactions energy: -722.320
where: short stacking energy: -354.560
Base-Backbone interact. energy: -1.299
local terms energy: -493.572593
where:
bonds (distance) C4'-P energy: -128.529
bonds (distance) P-C4' energy: -123.825
flat angles C4'-P-C4' energy: -113.964
flat angles P-C4'-P energy: -78.455
tors. eta vs tors. theta energy: -48.800
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: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1038.701736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.701736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.701736 (E_RNA)
where:
Base-Base interactions energy: -556.545
where: short stacking energy: -276.608
Base-Backbone interact. energy: -4.341
local terms energy: -477.815836
where:
bonds (distance) C4'-P energy: -121.982
bonds (distance) P-C4' energy: -132.273
flat angles C4'-P-C4' energy: -124.657
flat angles P-C4'-P energy: -51.757
tors. eta vs tors. theta energy: -47.147
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: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -694.001282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.001282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.001282 (E_RNA)
where:
Base-Base interactions energy: -309.449
where: short stacking energy: -193.022
Base-Backbone interact. energy: -1.578
local terms energy: -382.973987
where:
bonds (distance) C4'-P energy: -124.297
bonds (distance) P-C4' energy: -103.026
flat angles C4'-P-C4' energy: -98.916
flat angles P-C4'-P energy: -71.486
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: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -603.353360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.353360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.353360 (E_RNA)
where:
Base-Base interactions energy: -229.683
where: short stacking energy: -170.616
Base-Backbone interact. energy: 6.468
local terms energy: -380.137892
where:
bonds (distance) C4'-P energy: -128.409
bonds (distance) P-C4' energy: -121.455
flat angles C4'-P-C4' energy: -102.857
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: 17.274
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: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2292.065724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.065724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.065724 (E_RNA)
where:
Base-Base interactions energy: -1563.612
where: short stacking energy: -666.461
Base-Backbone interact. energy: 1.434
local terms energy: -729.886790
where:
bonds (distance) C4'-P energy: -149.710
bonds (distance) P-C4' energy: -137.149
flat angles C4'-P-C4' energy: -160.448
flat angles P-C4'-P energy: -109.609
tors. eta vs tors. theta energy: -172.971
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: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2166.716441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.716441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.716441 (E_RNA)
where:
Base-Base interactions energy: -1485.908
where: short stacking energy: -627.355
Base-Backbone interact. energy: -1.278
local terms energy: -679.529960
where:
bonds (distance) C4'-P energy: -133.517
bonds (distance) P-C4' energy: -129.451
flat angles C4'-P-C4' energy: -154.839
flat angles P-C4'-P energy: -88.129
tors. eta vs tors. theta energy: -173.594
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: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2013.700074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.700074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.700074 (E_RNA)
where:
Base-Base interactions energy: -1343.964
where: short stacking energy: -635.035
Base-Backbone interact. energy: -3.572
local terms energy: -666.164234
where:
bonds (distance) C4'-P energy: -129.373
bonds (distance) P-C4' energy: -137.315
flat angles C4'-P-C4' energy: -149.989
flat angles P-C4'-P energy: -77.720
tors. eta vs tors. theta energy: -171.768
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: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1858.537977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.537977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.537977 (E_RNA)
where:
Base-Base interactions energy: -1194.961
where: short stacking energy: -566.002
Base-Backbone interact. energy: 0.932
local terms energy: -664.508290
where:
bonds (distance) C4'-P energy: -140.906
bonds (distance) P-C4' energy: -130.775
flat angles C4'-P-C4' energy: -145.761
flat angles P-C4'-P energy: -92.533
tors. eta vs tors. theta energy: -154.532
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1552.185269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.185269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.185269 (E_RNA)
where:
Base-Base interactions energy: -927.484
where: short stacking energy: -473.410
Base-Backbone interact. energy: -3.365
local terms energy: -621.336721
where:
bonds (distance) C4'-P energy: -136.455
bonds (distance) P-C4' energy: -134.892
flat angles C4'-P-C4' energy: -131.559
flat angles P-C4'-P energy: -98.262
tors. eta vs tors. theta energy: -120.170
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: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1598.678853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.678853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.678853 (E_RNA)
where:
Base-Base interactions energy: -1032.849
where: short stacking energy: -478.229
Base-Backbone interact. energy: 2.257
local terms energy: -568.087099
where:
bonds (distance) C4'-P energy: -112.926
bonds (distance) P-C4' energy: -127.112
flat angles C4'-P-C4' energy: -136.702
flat angles P-C4'-P energy: -82.887
tors. eta vs tors. theta energy: -108.460
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: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1212.426716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.426716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.426716 (E_RNA)
where:
Base-Base interactions energy: -719.699
where: short stacking energy: -358.706
Base-Backbone interact. energy: -1.481
local terms energy: -491.246545
where:
bonds (distance) C4'-P energy: -129.047
bonds (distance) P-C4' energy: -124.061
flat angles C4'-P-C4' energy: -107.061
flat angles P-C4'-P energy: -75.355
tors. eta vs tors. theta energy: -55.722
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: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -998.203469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.203469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.203469 (E_RNA)
where:
Base-Base interactions energy: -548.716
where: short stacking energy: -301.057
Base-Backbone interact. energy: 4.481
local terms energy: -453.968603
where:
bonds (distance) C4'-P energy: -126.830
bonds (distance) P-C4' energy: -105.885
flat angles C4'-P-C4' energy: -105.732
flat angles P-C4'-P energy: -75.398
tors. eta vs tors. theta energy: -40.124
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: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -714.034346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.034346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.034346 (E_RNA)
where:
Base-Base interactions energy: -315.322
where: short stacking energy: -201.699
Base-Backbone interact. energy: -2.469
local terms energy: -396.243403
where:
bonds (distance) C4'-P energy: -121.292
bonds (distance) P-C4' energy: -110.857
flat angles C4'-P-C4' energy: -121.195
flat angles P-C4'-P energy: -56.471
tors. eta vs tors. theta energy: 13.572
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: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -575.661320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.661320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.661320 (E_RNA)
where:
Base-Base interactions energy: -227.547
where: short stacking energy: -177.248
Base-Backbone interact. energy: -1.685
local terms energy: -346.429244
where:
bonds (distance) C4'-P energy: -119.527
bonds (distance) P-C4' energy: -105.337
flat angles C4'-P-C4' energy: -108.195
flat angles P-C4'-P energy: -36.393
tors. eta vs tors. theta energy: 23.023
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: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2283.559495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.559495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.559495 (E_RNA)
where:
Base-Base interactions energy: -1565.342
where: short stacking energy: -643.935
Base-Backbone interact. energy: -1.859
local terms energy: -716.358303
where:
bonds (distance) C4'-P energy: -135.000
bonds (distance) P-C4' energy: -157.120
flat angles C4'-P-C4' energy: -146.152
flat angles P-C4'-P energy: -98.740
tors. eta vs tors. theta energy: -179.347
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: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2145.015689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.015689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.015689 (E_RNA)
where:
Base-Base interactions energy: -1417.388
where: short stacking energy: -622.976
Base-Backbone interact. energy: -5.572
local terms energy: -722.054983
where:
bonds (distance) C4'-P energy: -146.782
bonds (distance) P-C4' energy: -146.660
flat angles C4'-P-C4' energy: -148.956
flat angles P-C4'-P energy: -95.520
tors. eta vs tors. theta energy: -184.137
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: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1991.669789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.669789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.669789 (E_RNA)
where:
Base-Base interactions energy: -1295.149
where: short stacking energy: -591.801
Base-Backbone interact. energy: -3.613
local terms energy: -692.907618
where:
bonds (distance) C4'-P energy: -137.840
bonds (distance) P-C4' energy: -142.054
flat angles C4'-P-C4' energy: -154.848
flat angles P-C4'-P energy: -91.303
tors. eta vs tors. theta energy: -166.863
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: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1822.028117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.028117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.028117 (E_RNA)
where:
Base-Base interactions energy: -1162.109
where: short stacking energy: -549.266
Base-Backbone interact. energy: 0.265
local terms energy: -660.184171
where:
bonds (distance) C4'-P energy: -118.007
bonds (distance) P-C4' energy: -153.181
flat angles C4'-P-C4' energy: -150.597
flat angles P-C4'-P energy: -98.070
tors. eta vs tors. theta energy: -140.329
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: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1570.258943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.258943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.258943 (E_RNA)
where:
Base-Base interactions energy: -951.628
where: short stacking energy: -481.752
Base-Backbone interact. energy: -2.329
local terms energy: -616.301367
where:
bonds (distance) C4'-P energy: -137.547
bonds (distance) P-C4' energy: -137.047
flat angles C4'-P-C4' energy: -132.724
flat angles P-C4'-P energy: -94.085
tors. eta vs tors. theta energy: -114.898
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: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1576.930793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.930793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.930793 (E_RNA)
where:
Base-Base interactions energy: -996.268
where: short stacking energy: -433.529
Base-Backbone interact. energy: -0.947
local terms energy: -579.716262
where:
bonds (distance) C4'-P energy: -139.348
bonds (distance) P-C4' energy: -114.512
flat angles C4'-P-C4' energy: -126.088
flat angles P-C4'-P energy: -82.452
tors. eta vs tors. theta energy: -117.317
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: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1267.113922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.113922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.113922 (E_RNA)
where:
Base-Base interactions energy: -744.808
where: short stacking energy: -346.608
Base-Backbone interact. energy: -4.986
local terms energy: -517.319869
where:
bonds (distance) C4'-P energy: -121.365
bonds (distance) P-C4' energy: -132.406
flat angles C4'-P-C4' energy: -110.081
flat angles P-C4'-P energy: -89.908
tors. eta vs tors. theta energy: -63.560
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: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1037.495153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.495153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.495153 (E_RNA)
where:
Base-Base interactions energy: -600.319
where: short stacking energy: -300.538
Base-Backbone interact. energy: -2.608
local terms energy: -434.568093
where:
bonds (distance) C4'-P energy: -103.685
bonds (distance) P-C4' energy: -101.352
flat angles C4'-P-C4' energy: -126.988
flat angles P-C4'-P energy: -68.294
tors. eta vs tors. theta energy: -34.248
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: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -692.333052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.333052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.333052 (E_RNA)
where:
Base-Base interactions energy: -298.205
where: short stacking energy: -196.557
Base-Backbone interact. energy: -1.971
local terms energy: -392.157559
where:
bonds (distance) C4'-P energy: -106.598
bonds (distance) P-C4' energy: -110.440
flat angles C4'-P-C4' energy: -102.956
flat angles P-C4'-P energy: -59.646
tors. eta vs tors. theta energy: -12.517
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: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -559.488447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.488447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.488447 (E_RNA)
where:
Base-Base interactions energy: -195.926
where: short stacking energy: -149.014
Base-Backbone interact. energy: 9.895
local terms energy: -373.457568
where:
bonds (distance) C4'-P energy: -118.203
bonds (distance) P-C4' energy: -132.506
flat angles C4'-P-C4' energy: -76.015
flat angles P-C4'-P energy: -62.350
tors. eta vs tors. theta energy: 15.617
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: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2323.020753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.020753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.020753 (E_RNA)
where:
Base-Base interactions energy: -1584.461
where: short stacking energy: -702.458
Base-Backbone interact. energy: 0.064
local terms energy: -738.624143
where:
bonds (distance) C4'-P energy: -151.007
bonds (distance) P-C4' energy: -139.409
flat angles C4'-P-C4' energy: -164.027
flat angles P-C4'-P energy: -95.825
tors. eta vs tors. theta energy: -188.356
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: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2183.524505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.524505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.524505 (E_RNA)
where:
Base-Base interactions energy: -1482.197
where: short stacking energy: -627.295
Base-Backbone interact. energy: -7.078
local terms energy: -694.249042
where:
bonds (distance) C4'-P energy: -143.444
bonds (distance) P-C4' energy: -150.131
flat angles C4'-P-C4' energy: -141.610
flat angles P-C4'-P energy: -92.753
tors. eta vs tors. theta energy: -166.311
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: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2057.856717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.856717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.856717 (E_RNA)
where:
Base-Base interactions energy: -1375.700
where: short stacking energy: -613.364
Base-Backbone interact. energy: -3.107
local terms energy: -679.050498
where:
bonds (distance) C4'-P energy: -141.696
bonds (distance) P-C4' energy: -131.055
flat angles C4'-P-C4' energy: -154.002
flat angles P-C4'-P energy: -93.845
tors. eta vs tors. theta energy: -158.453
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: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1818.017888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.017888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.017888 (E_RNA)
where:
Base-Base interactions energy: -1160.000
where: short stacking energy: -529.086
Base-Backbone interact. energy: -2.550
local terms energy: -655.467842
where:
bonds (distance) C4'-P energy: -127.793
bonds (distance) P-C4' energy: -128.909
flat angles C4'-P-C4' energy: -151.293
flat angles P-C4'-P energy: -109.316
tors. eta vs tors. theta energy: -138.157
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: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1520.441091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.441091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.441091 (E_RNA)
where:
Base-Base interactions energy: -921.603
where: short stacking energy: -460.411
Base-Backbone interact. energy: 0.435
local terms energy: -599.272922
where:
bonds (distance) C4'-P energy: -134.771
bonds (distance) P-C4' energy: -130.339
flat angles C4'-P-C4' energy: -135.133
flat angles P-C4'-P energy: -93.444
tors. eta vs tors. theta energy: -105.586
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: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1586.406049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.406049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.406049 (E_RNA)
where:
Base-Base interactions energy: -998.746
where: short stacking energy: -439.469
Base-Backbone interact. energy: -0.364
local terms energy: -587.296924
where:
bonds (distance) C4'-P energy: -124.123
bonds (distance) P-C4' energy: -123.256
flat angles C4'-P-C4' energy: -144.569
flat angles P-C4'-P energy: -87.724
tors. eta vs tors. theta energy: -107.625
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: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1200.470711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.470711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.470711 (E_RNA)
where:
Base-Base interactions energy: -657.554
where: short stacking energy: -335.192
Base-Backbone interact. energy: -1.563
local terms energy: -541.353886
where:
bonds (distance) C4'-P energy: -142.641
bonds (distance) P-C4' energy: -156.060
flat angles C4'-P-C4' energy: -123.613
flat angles P-C4'-P energy: -78.138
tors. eta vs tors. theta energy: -40.901
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: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1042.790600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.790600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.790600 (E_RNA)
where:
Base-Base interactions energy: -546.977
where: short stacking energy: -281.948
Base-Backbone interact. energy: -1.395
local terms energy: -494.418773
where:
bonds (distance) C4'-P energy: -135.912
bonds (distance) P-C4' energy: -124.469
flat angles C4'-P-C4' energy: -121.888
flat angles P-C4'-P energy: -80.248
tors. eta vs tors. theta energy: -31.902
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: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -761.897498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.897498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.897498 (E_RNA)
where:
Base-Base interactions energy: -389.254
where: short stacking energy: -237.666
Base-Backbone interact. energy: -0.898
local terms energy: -371.745407
where:
bonds (distance) C4'-P energy: -113.833
bonds (distance) P-C4' energy: -140.453
flat angles C4'-P-C4' energy: -81.391
flat angles P-C4'-P energy: -40.382
tors. eta vs tors. theta energy: 4.314
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: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -559.771892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.771892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.771892 (E_RNA)
where:
Base-Base interactions energy: -183.403
where: short stacking energy: -167.883
Base-Backbone interact. energy: -0.055
local terms energy: -376.314519
where:
bonds (distance) C4'-P energy: -119.706
bonds (distance) P-C4' energy: -124.522
flat angles C4'-P-C4' energy: -92.569
flat angles P-C4'-P energy: -66.509
tors. eta vs tors. theta energy: 26.991
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: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2305.798593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.798593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.798593 (E_RNA)
where:
Base-Base interactions energy: -1581.931
where: short stacking energy: -694.460
Base-Backbone interact. energy: -3.042
local terms energy: -720.825068
where:
bonds (distance) C4'-P energy: -131.787
bonds (distance) P-C4' energy: -142.672
flat angles C4'-P-C4' energy: -154.792
flat angles P-C4'-P energy: -111.992
tors. eta vs tors. theta energy: -179.583
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: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2153.170376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.170376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.170376 (E_RNA)
where:
Base-Base interactions energy: -1464.496
where: short stacking energy: -616.621
Base-Backbone interact. energy: -3.977
local terms energy: -684.697141
where:
bonds (distance) C4'-P energy: -141.287
bonds (distance) P-C4' energy: -123.963
flat angles C4'-P-C4' energy: -159.750
flat angles P-C4'-P energy: -98.395
tors. eta vs tors. theta energy: -161.303
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: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2027.567894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.567894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.567894 (E_RNA)
where:
Base-Base interactions energy: -1367.814
where: short stacking energy: -608.284
Base-Backbone interact. energy: -1.577
local terms energy: -658.176172
where:
bonds (distance) C4'-P energy: -127.281
bonds (distance) P-C4' energy: -142.462
flat angles C4'-P-C4' energy: -138.952
flat angles P-C4'-P energy: -93.186
tors. eta vs tors. theta energy: -156.295
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1858.962608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.962608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.962608 (E_RNA)
where:
Base-Base interactions energy: -1174.433
where: short stacking energy: -565.749
Base-Backbone interact. energy: -3.500
local terms energy: -681.029373
where:
bonds (distance) C4'-P energy: -151.028
bonds (distance) P-C4' energy: -128.167
flat angles C4'-P-C4' energy: -159.764
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -152.977
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: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1542.749443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.749443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.749443 (E_RNA)
where:
Base-Base interactions energy: -962.549
where: short stacking energy: -464.476
Base-Backbone interact. energy: -3.243
local terms energy: -576.957664
where:
bonds (distance) C4'-P energy: -108.494
bonds (distance) P-C4' energy: -137.294
flat angles C4'-P-C4' energy: -144.398
flat angles P-C4'-P energy: -85.829
tors. eta vs tors. theta energy: -100.943
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: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1605.712051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.712051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.712051 (E_RNA)
where:
Base-Base interactions energy: -1017.841
where: short stacking energy: -483.259
Base-Backbone interact. energy: -6.659
local terms energy: -581.212047
where:
bonds (distance) C4'-P energy: -125.185
bonds (distance) P-C4' energy: -133.542
flat angles C4'-P-C4' energy: -136.498
flat angles P-C4'-P energy: -77.053
tors. eta vs tors. theta energy: -108.933
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: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1194.634403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.634403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.634403 (E_RNA)
where:
Base-Base interactions energy: -706.951
where: short stacking energy: -319.190
Base-Backbone interact. energy: -4.096
local terms energy: -483.586870
where:
bonds (distance) C4'-P energy: -152.584
bonds (distance) P-C4' energy: -117.306
flat angles C4'-P-C4' energy: -107.964
flat angles P-C4'-P energy: -70.096
tors. eta vs tors. theta energy: -35.637
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: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1094.140979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.140979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.140979 (E_RNA)
where:
Base-Base interactions energy: -623.948
where: short stacking energy: -288.443
Base-Backbone interact. energy: 2.643
local terms energy: -472.836359
where:
bonds (distance) C4'-P energy: -133.393
bonds (distance) P-C4' energy: -117.959
flat angles C4'-P-C4' energy: -106.589
flat angles P-C4'-P energy: -85.126
tors. eta vs tors. theta energy: -29.769
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: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -798.239323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.239323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.239323 (E_RNA)
where:
Base-Base interactions energy: -378.206
where: short stacking energy: -241.528
Base-Backbone interact. energy: 7.209
local terms energy: -427.241946
where:
bonds (distance) C4'-P energy: -113.673
bonds (distance) P-C4' energy: -125.282
flat angles C4'-P-C4' energy: -111.555
flat angles P-C4'-P energy: -68.114
tors. eta vs tors. theta energy: -8.618
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: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -578.427486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.427486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.427486 (E_RNA)
where:
Base-Base interactions energy: -209.474
where: short stacking energy: -173.179
Base-Backbone interact. energy: 3.018
local terms energy: -371.971594
where:
bonds (distance) C4'-P energy: -116.077
bonds (distance) P-C4' energy: -130.868
flat angles C4'-P-C4' energy: -101.472
flat angles P-C4'-P energy: -61.849
tors. eta vs tors. theta energy: 38.293
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: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2281.001051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.001051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.001051 (E_RNA)
where:
Base-Base interactions energy: -1573.787
where: short stacking energy: -673.286
Base-Backbone interact. energy: -4.786
local terms energy: -702.428187
where:
bonds (distance) C4'-P energy: -147.566
bonds (distance) P-C4' energy: -130.700
flat angles C4'-P-C4' energy: -148.217
flat angles P-C4'-P energy: -106.298
tors. eta vs tors. theta energy: -169.647
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: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2095.683341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.683341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.683341 (E_RNA)
where:
Base-Base interactions energy: -1422.674
where: short stacking energy: -584.177
Base-Backbone interact. energy: 2.656
local terms energy: -675.665652
where:
bonds (distance) C4'-P energy: -146.117
bonds (distance) P-C4' energy: -147.568
flat angles C4'-P-C4' energy: -149.224
flat angles P-C4'-P energy: -96.741
tors. eta vs tors. theta energy: -136.017
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: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2035.175611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.175611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.175611 (E_RNA)
where:
Base-Base interactions energy: -1365.550
where: short stacking energy: -605.196
Base-Backbone interact. energy: -1.783
local terms energy: -667.843523
where:
bonds (distance) C4'-P energy: -123.783
bonds (distance) P-C4' energy: -130.099
flat angles C4'-P-C4' energy: -145.952
flat angles P-C4'-P energy: -107.976
tors. eta vs tors. theta energy: -160.034
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: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1860.921516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.921516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.921516 (E_RNA)
where:
Base-Base interactions energy: -1203.782
where: short stacking energy: -542.830
Base-Backbone interact. energy: -4.598
local terms energy: -652.541456
where:
bonds (distance) C4'-P energy: -126.370
bonds (distance) P-C4' energy: -138.532
flat angles C4'-P-C4' energy: -147.617
flat angles P-C4'-P energy: -95.524
tors. eta vs tors. theta energy: -144.498
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: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1601.048191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.048191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.048191 (E_RNA)
where:
Base-Base interactions energy: -1025.574
where: short stacking energy: -496.140
Base-Backbone interact. energy: -0.805
local terms energy: -574.669198
where:
bonds (distance) C4'-P energy: -121.110
bonds (distance) P-C4' energy: -124.646
flat angles C4'-P-C4' energy: -126.441
flat angles P-C4'-P energy: -88.877
tors. eta vs tors. theta energy: -113.595
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: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1578.003895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.003895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.003895 (E_RNA)
where:
Base-Base interactions energy: -1014.947
where: short stacking energy: -455.922
Base-Backbone interact. energy: -3.500
local terms energy: -559.557203
where:
bonds (distance) C4'-P energy: -102.817
bonds (distance) P-C4' energy: -150.491
flat angles C4'-P-C4' energy: -137.170
flat angles P-C4'-P energy: -86.136
tors. eta vs tors. theta energy: -82.943
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: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1242.366172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.366172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.366172 (E_RNA)
where:
Base-Base interactions energy: -715.180
where: short stacking energy: -360.078
Base-Backbone interact. energy: -3.690
local terms energy: -523.495811
where:
bonds (distance) C4'-P energy: -123.449
bonds (distance) P-C4' energy: -123.468
flat angles C4'-P-C4' energy: -129.526
flat angles P-C4'-P energy: -86.001
tors. eta vs tors. theta energy: -61.052
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: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1167.741418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.741418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.741418 (E_RNA)
where:
Base-Base interactions energy: -648.511
where: short stacking energy: -327.733
Base-Backbone interact. energy: -1.017
local terms energy: -518.213794
where:
bonds (distance) C4'-P energy: -111.944
bonds (distance) P-C4' energy: -130.501
flat angles C4'-P-C4' energy: -137.063
flat angles P-C4'-P energy: -90.843
tors. eta vs tors. theta energy: -47.863
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: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -870.780832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.780832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.780832 (E_RNA)
where:
Base-Base interactions energy: -441.385
where: short stacking energy: -249.459
Base-Backbone interact. energy: -0.975
local terms energy: -428.420732
where:
bonds (distance) C4'-P energy: -118.077
bonds (distance) P-C4' energy: -130.928
flat angles C4'-P-C4' energy: -85.022
flat angles P-C4'-P energy: -77.032
tors. eta vs tors. theta energy: -17.361
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: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -604.317264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.317264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.317264 (E_RNA)
where:
Base-Base interactions energy: -259.772
where: short stacking energy: -178.241
Base-Backbone interact. energy: -2.702
local terms energy: -341.842917
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -122.412
flat angles C4'-P-C4' energy: -84.687
flat angles P-C4'-P energy: -54.130
tors. eta vs tors. theta energy: 13.368
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: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2322.764009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.764009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.764009 (E_RNA)
where:
Base-Base interactions energy: -1551.084
where: short stacking energy: -683.959
Base-Backbone interact. energy: -4.731
local terms energy: -766.949544
where:
bonds (distance) C4'-P energy: -156.783
bonds (distance) P-C4' energy: -163.738
flat angles C4'-P-C4' energy: -150.149
flat angles P-C4'-P energy: -109.309
tors. eta vs tors. theta energy: -186.971
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: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2160.027799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.027799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.027799 (E_RNA)
where:
Base-Base interactions energy: -1435.410
where: short stacking energy: -618.946
Base-Backbone interact. energy: -5.646
local terms energy: -718.971836
where:
bonds (distance) C4'-P energy: -156.517
bonds (distance) P-C4' energy: -145.771
flat angles C4'-P-C4' energy: -158.684
flat angles P-C4'-P energy: -96.980
tors. eta vs tors. theta energy: -161.019
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: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2074.876061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.876061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.876061 (E_RNA)
where:
Base-Base interactions energy: -1370.129
where: short stacking energy: -614.657
Base-Backbone interact. energy: -1.411
local terms energy: -703.335868
where:
bonds (distance) C4'-P energy: -137.619
bonds (distance) P-C4' energy: -147.266
flat angles C4'-P-C4' energy: -158.795
flat angles P-C4'-P energy: -101.782
tors. eta vs tors. theta energy: -157.874
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: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1908.952272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.952272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.952272 (E_RNA)
where:
Base-Base interactions energy: -1268.928
where: short stacking energy: -577.654
Base-Backbone interact. energy: -5.279
local terms energy: -634.745760
where:
bonds (distance) C4'-P energy: -134.660
bonds (distance) P-C4' energy: -126.068
flat angles C4'-P-C4' energy: -134.009
flat angles P-C4'-P energy: -87.918
tors. eta vs tors. theta energy: -152.090
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: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1626.439843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.439843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.439843 (E_RNA)
where:
Base-Base interactions energy: -1022.930
where: short stacking energy: -471.689
Base-Backbone interact. energy: -3.150
local terms energy: -600.360209
where:
bonds (distance) C4'-P energy: -120.536
bonds (distance) P-C4' energy: -141.722
flat angles C4'-P-C4' energy: -137.190
flat angles P-C4'-P energy: -79.466
tors. eta vs tors. theta energy: -121.445
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: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1589.013471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.013471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.013471 (E_RNA)
where:
Base-Base interactions energy: -997.283
where: short stacking energy: -491.021
Base-Backbone interact. energy: -2.017
local terms energy: -589.713191
where:
bonds (distance) C4'-P energy: -123.168
bonds (distance) P-C4' energy: -138.784
flat angles C4'-P-C4' energy: -132.875
flat angles P-C4'-P energy: -84.556
tors. eta vs tors. theta energy: -110.330
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: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1255.534286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.534286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.534286 (E_RNA)
where:
Base-Base interactions energy: -733.529
where: short stacking energy: -370.060
Base-Backbone interact. energy: -3.821
local terms energy: -518.184413
where:
bonds (distance) C4'-P energy: -146.178
bonds (distance) P-C4' energy: -113.296
flat angles C4'-P-C4' energy: -107.064
flat angles P-C4'-P energy: -83.047
tors. eta vs tors. theta energy: -68.600
Dist. restrs. and SS energy: 0.000 (S_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: 44
Temperature: 1.250000
Total energy: -1134.411313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.411313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.411313 (E_RNA)
where:
Base-Base interactions energy: -664.856
where: short stacking energy: -352.663
Base-Backbone interact. energy: -0.734
local terms energy: -468.822107
where:
bonds (distance) C4'-P energy: -128.211
bonds (distance) P-C4' energy: -115.814
flat angles C4'-P-C4' energy: -117.942
flat angles P-C4'-P energy: -60.923
tors. eta vs tors. theta energy: -45.932
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: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -846.622896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.622896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.622896 (E_RNA)
where:
Base-Base interactions energy: -396.492
where: short stacking energy: -205.939
Base-Backbone interact. energy: -1.936
local terms energy: -448.195466
where:
bonds (distance) C4'-P energy: -132.123
bonds (distance) P-C4' energy: -138.079
flat angles C4'-P-C4' energy: -109.125
flat angles P-C4'-P energy: -51.959
tors. eta vs tors. theta energy: -16.909
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: 44
Temperature: 1.350000
Total energy: -704.350590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.350590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.350590 (E_RNA)
where:
Base-Base interactions energy: -351.357
where: short stacking energy: -225.607
Base-Backbone interact. energy: 0.234
local terms energy: -353.226840
where:
bonds (distance) C4'-P energy: -101.290
bonds (distance) P-C4' energy: -123.970
flat angles C4'-P-C4' energy: -98.247
flat angles P-C4'-P energy: -44.216
tors. eta vs tors. theta energy: 14.497
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: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2310.260060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.260060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.260060 (E_RNA)
where:
Base-Base interactions energy: -1577.498
where: short stacking energy: -667.825
Base-Backbone interact. energy: -1.611
local terms energy: -731.151260
where:
bonds (distance) C4'-P energy: -144.941
bonds (distance) P-C4' energy: -143.660
flat angles C4'-P-C4' energy: -153.176
flat angles P-C4'-P energy: -111.708
tors. eta vs tors. theta energy: -177.667
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: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2093.838740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.838740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.838740 (E_RNA)
where:
Base-Base interactions energy: -1403.915
where: short stacking energy: -597.753
Base-Backbone interact. energy: -4.418
local terms energy: -685.505203
where:
bonds (distance) C4'-P energy: -136.631
bonds (distance) P-C4' energy: -140.485
flat angles C4'-P-C4' energy: -156.337
flat angles P-C4'-P energy: -91.344
tors. eta vs tors. theta energy: -160.708
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: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2081.173956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.173956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.173956 (E_RNA)
where:
Base-Base interactions energy: -1381.958
where: short stacking energy: -615.609
Base-Backbone interact. energy: -4.034
local terms energy: -695.182153
where:
bonds (distance) C4'-P energy: -139.292
bonds (distance) P-C4' energy: -143.940
flat angles C4'-P-C4' energy: -154.963
flat angles P-C4'-P energy: -95.870
tors. eta vs tors. theta energy: -161.117
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: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1894.128794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.128794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.128794 (E_RNA)
where:
Base-Base interactions energy: -1225.276
where: short stacking energy: -569.767
Base-Backbone interact. energy: -3.835
local terms energy: -665.017128
where:
bonds (distance) C4'-P energy: -123.632
bonds (distance) P-C4' energy: -141.536
flat angles C4'-P-C4' energy: -153.392
flat angles P-C4'-P energy: -105.527
tors. eta vs tors. theta energy: -140.930
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: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1663.594467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.594467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.594467 (E_RNA)
where:
Base-Base interactions energy: -1009.928
where: short stacking energy: -502.830
Base-Backbone interact. energy: -4.520
local terms energy: -649.145819
where:
bonds (distance) C4'-P energy: -116.268
bonds (distance) P-C4' energy: -139.618
flat angles C4'-P-C4' energy: -142.993
flat angles P-C4'-P energy: -107.543
tors. eta vs tors. theta energy: -142.725
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: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1615.980999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.980999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.980999 (E_RNA)
where:
Base-Base interactions energy: -1032.530
where: short stacking energy: -468.651
Base-Backbone interact. energy: -6.235
local terms energy: -577.215732
where:
bonds (distance) C4'-P energy: -128.215
bonds (distance) P-C4' energy: -140.715
flat angles C4'-P-C4' energy: -119.621
flat angles P-C4'-P energy: -73.586
tors. eta vs tors. theta energy: -115.078
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: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1236.764068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.764068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.764068 (E_RNA)
where:
Base-Base interactions energy: -695.659
where: short stacking energy: -337.155
Base-Backbone interact. energy: -0.653
local terms energy: -540.452124
where:
bonds (distance) C4'-P energy: -141.355
bonds (distance) P-C4' energy: -125.298
flat angles C4'-P-C4' energy: -146.795
flat angles P-C4'-P energy: -73.932
tors. eta vs tors. theta energy: -53.072
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: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1216.471665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.471665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.471665 (E_RNA)
where:
Base-Base interactions energy: -713.721
where: short stacking energy: -355.975
Base-Backbone interact. energy: -2.627
local terms energy: -500.123509
where:
bonds (distance) C4'-P energy: -135.859
bonds (distance) P-C4' energy: -133.870
flat angles C4'-P-C4' energy: -107.517
flat angles P-C4'-P energy: -69.780
tors. eta vs tors. theta energy: -53.098
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: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -858.816948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.816948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.816948 (E_RNA)
where:
Base-Base interactions energy: -454.966
where: short stacking energy: -256.460
Base-Backbone interact. energy: -2.977
local terms energy: -400.873525
where:
bonds (distance) C4'-P energy: -109.409
bonds (distance) P-C4' energy: -122.472
flat angles C4'-P-C4' energy: -87.358
flat angles P-C4'-P energy: -70.758
tors. eta vs tors. theta energy: -10.877
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: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -700.434648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.434648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.434648 (E_RNA)
where:
Base-Base interactions energy: -324.078
where: short stacking energy: -210.719
Base-Backbone interact. energy: -2.197
local terms energy: -374.160389
where:
bonds (distance) C4'-P energy: -122.220
bonds (distance) P-C4' energy: -108.027
flat angles C4'-P-C4' energy: -101.008
flat angles P-C4'-P energy: -47.977
tors. eta vs tors. theta energy: 5.072
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: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2323.774811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.774811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.774811 (E_RNA)
where:
Base-Base interactions energy: -1590.814
where: short stacking energy: -690.357
Base-Backbone interact. energy: -2.302
local terms energy: -730.659444
where:
bonds (distance) C4'-P energy: -136.229
bonds (distance) P-C4' energy: -148.820
flat angles C4'-P-C4' energy: -153.901
flat angles P-C4'-P energy: -116.904
tors. eta vs tors. theta energy: -174.805
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: 46
Temperature: 0.950000
Total energy: -2137.708038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.708038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.708038 (E_RNA)
where:
Base-Base interactions energy: -1418.416
where: short stacking energy: -594.246
Base-Backbone interact. energy: -4.181
local terms energy: -715.111530
where:
bonds (distance) C4'-P energy: -139.651
bonds (distance) P-C4' energy: -159.476
flat angles C4'-P-C4' energy: -158.323
flat angles P-C4'-P energy: -97.521
tors. eta vs tors. theta energy: -160.141
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: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2129.361989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.361989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.361989 (E_RNA)
where:
Base-Base interactions energy: -1432.727
where: short stacking energy: -647.640
Base-Backbone interact. energy: -5.181
local terms energy: -691.453764
where:
bonds (distance) C4'-P energy: -126.383
bonds (distance) P-C4' energy: -143.925
flat angles C4'-P-C4' energy: -145.016
flat angles P-C4'-P energy: -107.133
tors. eta vs tors. theta energy: -168.996
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: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1957.408785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.408785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.408785 (E_RNA)
where:
Base-Base interactions energy: -1279.189
where: short stacking energy: -578.682
Base-Backbone interact. energy: -6.072
local terms energy: -672.147990
where:
bonds (distance) C4'-P energy: -133.344
bonds (distance) P-C4' energy: -136.849
flat angles C4'-P-C4' energy: -144.172
flat angles P-C4'-P energy: -99.807
tors. eta vs tors. theta energy: -157.976
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1651.209153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.209153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.209153 (E_RNA)
where:
Base-Base interactions energy: -1091.211
where: short stacking energy: -492.185
Base-Backbone interact. energy: -0.320
local terms energy: -559.678173
where:
bonds (distance) C4'-P energy: -120.387
bonds (distance) P-C4' energy: -114.159
flat angles C4'-P-C4' energy: -134.737
flat angles P-C4'-P energy: -73.357
tors. eta vs tors. theta energy: -117.039
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: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1559.333705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.333705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.333705 (E_RNA)
where:
Base-Base interactions energy: -1002.020
where: short stacking energy: -458.941
Base-Backbone interact. energy: -3.200
local terms energy: -554.113409
where:
bonds (distance) C4'-P energy: -112.442
bonds (distance) P-C4' energy: -136.404
flat angles C4'-P-C4' energy: -145.236
flat angles P-C4'-P energy: -74.059
tors. eta vs tors. theta energy: -85.972
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: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1358.456968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.456968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.456968 (E_RNA)
where:
Base-Base interactions energy: -824.084
where: short stacking energy: -407.945
Base-Backbone interact. energy: -1.104
local terms energy: -533.269446
where:
bonds (distance) C4'-P energy: -122.507
bonds (distance) P-C4' energy: -127.609
flat angles C4'-P-C4' energy: -122.790
flat angles P-C4'-P energy: -81.097
tors. eta vs tors. theta energy: -79.267
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: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1144.305326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.305326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.305326 (E_RNA)
where:
Base-Base interactions energy: -662.605
where: short stacking energy: -351.550
Base-Backbone interact. energy: -1.634
local terms energy: -480.066556
where:
bonds (distance) C4'-P energy: -98.899
bonds (distance) P-C4' energy: -131.561
flat angles C4'-P-C4' energy: -124.985
flat angles P-C4'-P energy: -72.031
tors. eta vs tors. theta energy: -52.590
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: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -762.780565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.780565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.780565 (E_RNA)
where:
Base-Base interactions energy: -385.197
where: short stacking energy: -229.729
Base-Backbone interact. energy: -4.345
local terms energy: -373.239111
where:
bonds (distance) C4'-P energy: -103.460
bonds (distance) P-C4' energy: -120.913
flat angles C4'-P-C4' energy: -88.630
flat angles P-C4'-P energy: -54.714
tors. eta vs tors. theta energy: -5.522
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: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -556.495434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.495434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.495434 (E_RNA)
where:
Base-Base interactions energy: -194.582
where: short stacking energy: -149.948
Base-Backbone interact. energy: -5.649
local terms energy: -356.263828
where:
bonds (distance) C4'-P energy: -113.090
bonds (distance) P-C4' energy: -142.048
flat angles C4'-P-C4' energy: -85.459
flat angles P-C4'-P energy: -58.083
tors. eta vs tors. theta energy: 42.416
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: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2333.850033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.850033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.850033 (E_RNA)
where:
Base-Base interactions energy: -1597.738
where: short stacking energy: -693.200
Base-Backbone interact. energy: -3.853
local terms energy: -732.259561
where:
bonds (distance) C4'-P energy: -138.908
bonds (distance) P-C4' energy: -134.344
flat angles C4'-P-C4' energy: -161.326
flat angles P-C4'-P energy: -108.954
tors. eta vs tors. theta energy: -188.729
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: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2164.590772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.590772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.590772 (E_RNA)
where:
Base-Base interactions energy: -1445.776
where: short stacking energy: -605.701
Base-Backbone interact. energy: -5.057
local terms energy: -713.757267
where:
bonds (distance) C4'-P energy: -142.296
bonds (distance) P-C4' energy: -156.987
flat angles C4'-P-C4' energy: -157.630
flat angles P-C4'-P energy: -96.028
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: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2125.661856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.661856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.661856 (E_RNA)
where:
Base-Base interactions energy: -1435.137
where: short stacking energy: -645.722
Base-Backbone interact. energy: -1.013
local terms energy: -689.512291
where:
bonds (distance) C4'-P energy: -144.357
bonds (distance) P-C4' energy: -137.379
flat angles C4'-P-C4' energy: -147.090
flat angles P-C4'-P energy: -95.033
tors. eta vs tors. theta energy: -165.654
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: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1898.170986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.170986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.170986 (E_RNA)
where:
Base-Base interactions energy: -1192.564
where: short stacking energy: -556.943
Base-Backbone interact. energy: -4.486
local terms energy: -701.120721
where:
bonds (distance) C4'-P energy: -150.586
bonds (distance) P-C4' energy: -138.459
flat angles C4'-P-C4' energy: -162.177
flat angles P-C4'-P energy: -97.607
tors. eta vs tors. theta energy: -152.292
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1720.718798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.718798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.718798 (E_RNA)
where:
Base-Base interactions energy: -1104.656
where: short stacking energy: -497.391
Base-Backbone interact. energy: -1.469
local terms energy: -614.594077
where:
bonds (distance) C4'-P energy: -149.143
bonds (distance) P-C4' energy: -127.223
flat angles C4'-P-C4' energy: -131.190
flat angles P-C4'-P energy: -89.555
tors. eta vs tors. theta energy: -117.483
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: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1598.267559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.267559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.267559 (E_RNA)
where:
Base-Base interactions energy: -1024.276
where: short stacking energy: -488.766
Base-Backbone interact. energy: -4.996
local terms energy: -568.995527
where:
bonds (distance) C4'-P energy: -119.165
bonds (distance) P-C4' energy: -123.678
flat angles C4'-P-C4' energy: -134.973
flat angles P-C4'-P energy: -96.588
tors. eta vs tors. theta energy: -94.591
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: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1358.037960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.037960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.037960 (E_RNA)
where:
Base-Base interactions energy: -817.984
where: short stacking energy: -377.977
Base-Backbone interact. energy: 1.563
local terms energy: -541.617036
where:
bonds (distance) C4'-P energy: -139.278
bonds (distance) P-C4' energy: -136.893
flat angles C4'-P-C4' energy: -122.519
flat angles P-C4'-P energy: -79.289
tors. eta vs tors. theta energy: -63.639
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: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1123.985535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.985535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.985535 (E_RNA)
where:
Base-Base interactions energy: -648.652
where: short stacking energy: -318.392
Base-Backbone interact. energy: 11.868
local terms energy: -487.200967
where:
bonds (distance) C4'-P energy: -118.251
bonds (distance) P-C4' energy: -131.327
flat angles C4'-P-C4' energy: -119.579
flat angles P-C4'-P energy: -80.625
tors. eta vs tors. theta energy: -37.419
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: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -777.958824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.958824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.958824 (E_RNA)
where:
Base-Base interactions energy: -390.756
where: short stacking energy: -218.366
Base-Backbone interact. energy: -2.658
local terms energy: -384.545300
where:
bonds (distance) C4'-P energy: -124.243
bonds (distance) P-C4' energy: -128.138
flat angles C4'-P-C4' energy: -92.637
flat angles P-C4'-P energy: -52.769
tors. eta vs tors. theta energy: 13.242
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: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -577.053590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.053590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.053590 (E_RNA)
where:
Base-Base interactions energy: -214.078
where: short stacking energy: -168.376
Base-Backbone interact. energy: -1.565
local terms energy: -361.410539
where:
bonds (distance) C4'-P energy: -120.570
bonds (distance) P-C4' energy: -106.702
flat angles C4'-P-C4' energy: -88.218
flat angles P-C4'-P energy: -72.175
tors. eta vs tors. theta energy: 26.254
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: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2357.645800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.645800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.645800 (E_RNA)
where:
Base-Base interactions energy: -1601.816
where: short stacking energy: -702.723
Base-Backbone interact. energy: -2.945
local terms energy: -752.884692
where:
bonds (distance) C4'-P energy: -132.981
bonds (distance) P-C4' energy: -159.139
flat angles C4'-P-C4' energy: -167.201
flat angles P-C4'-P energy: -98.922
tors. eta vs tors. theta energy: -194.642
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: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2188.163959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.163959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.163959 (E_RNA)
where:
Base-Base interactions energy: -1489.377
where: short stacking energy: -597.927
Base-Backbone interact. energy: -1.010
local terms energy: -697.777588
where:
bonds (distance) C4'-P energy: -145.088
bonds (distance) P-C4' energy: -152.386
flat angles C4'-P-C4' energy: -157.657
flat angles P-C4'-P energy: -86.502
tors. eta vs tors. theta energy: -156.144
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: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2123.544478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.544478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.544478 (E_RNA)
where:
Base-Base interactions energy: -1436.723
where: short stacking energy: -665.011
Base-Backbone interact. energy: 2.946
local terms energy: -689.768020
where:
bonds (distance) C4'-P energy: -136.231
bonds (distance) P-C4' energy: -133.023
flat angles C4'-P-C4' energy: -154.929
flat angles P-C4'-P energy: -96.612
tors. eta vs tors. theta energy: -168.973
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: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1940.293586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.293586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.293586 (E_RNA)
where:
Base-Base interactions energy: -1280.843
where: short stacking energy: -605.433
Base-Backbone interact. energy: 1.887
local terms energy: -661.338202
where:
bonds (distance) C4'-P energy: -123.840
bonds (distance) P-C4' energy: -135.727
flat angles C4'-P-C4' energy: -156.253
flat angles P-C4'-P energy: -87.980
tors. eta vs tors. theta energy: -157.539
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: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1717.805684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.805684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.805684 (E_RNA)
where:
Base-Base interactions energy: -1105.140
where: short stacking energy: -520.945
Base-Backbone interact. energy: -2.481
local terms energy: -610.184785
where:
bonds (distance) C4'-P energy: -129.907
bonds (distance) P-C4' energy: -135.910
flat angles C4'-P-C4' energy: -137.512
flat angles P-C4'-P energy: -84.980
tors. eta vs tors. theta energy: -121.875
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: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1477.959804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.959804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.959804 (E_RNA)
where:
Base-Base interactions energy: -910.422
where: short stacking energy: -423.683
Base-Backbone interact. energy: 0.626
local terms energy: -568.163980
where:
bonds (distance) C4'-P energy: -124.074
bonds (distance) P-C4' energy: -128.052
flat angles C4'-P-C4' energy: -130.316
flat angles P-C4'-P energy: -79.961
tors. eta vs tors. theta energy: -105.761
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: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1374.212795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.212795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.212795 (E_RNA)
where:
Base-Base interactions energy: -846.894
where: short stacking energy: -413.901
Base-Backbone interact. energy: 7.585
local terms energy: -534.903223
where:
bonds (distance) C4'-P energy: -108.714
bonds (distance) P-C4' energy: -146.727
flat angles C4'-P-C4' energy: -133.580
flat angles P-C4'-P energy: -74.950
tors. eta vs tors. theta energy: -70.932
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1101.842667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.842667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.842667 (E_RNA)
where:
Base-Base interactions energy: -610.542
where: short stacking energy: -317.372
Base-Backbone interact. energy: 0.029
local terms energy: -491.330106
where:
bonds (distance) C4'-P energy: -129.658
bonds (distance) P-C4' energy: -128.699
flat angles C4'-P-C4' energy: -120.651
flat angles P-C4'-P energy: -76.929
tors. eta vs tors. theta energy: -35.393
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: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -781.978686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.978686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.978686 (E_RNA)
where:
Base-Base interactions energy: -398.490
where: short stacking energy: -246.921
Base-Backbone interact. energy: 0.239
local terms energy: -383.726987
where:
bonds (distance) C4'-P energy: -106.246
bonds (distance) P-C4' energy: -115.257
flat angles C4'-P-C4' energy: -119.862
flat angles P-C4'-P energy: -52.601
tors. eta vs tors. theta energy: 10.239
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: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -575.300955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.300955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.300955 (E_RNA)
where:
Base-Base interactions energy: -223.945
where: short stacking energy: -170.766
Base-Backbone interact. energy: 4.543
local terms energy: -355.899457
where:
bonds (distance) C4'-P energy: -108.030
bonds (distance) P-C4' energy: -118.238
flat angles C4'-P-C4' energy: -110.346
flat angles P-C4'-P energy: -58.628
tors. eta vs tors. theta energy: 39.343
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: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2334.140011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.140011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.140011 (E_RNA)
where:
Base-Base interactions energy: -1570.736
where: short stacking energy: -702.577
Base-Backbone interact. energy: 2.433
local terms energy: -765.836855
where:
bonds (distance) C4'-P energy: -155.842
bonds (distance) P-C4' energy: -155.201
flat angles C4'-P-C4' energy: -167.221
flat angles P-C4'-P energy: -95.460
tors. eta vs tors. theta energy: -192.113
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: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2166.558483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.558483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.558483 (E_RNA)
where:
Base-Base interactions energy: -1479.635
where: short stacking energy: -634.806
Base-Backbone interact. energy: -7.353
local terms energy: -679.570923
where:
bonds (distance) C4'-P energy: -131.069
bonds (distance) P-C4' energy: -150.210
flat angles C4'-P-C4' energy: -140.980
flat angles P-C4'-P energy: -96.660
tors. eta vs tors. theta energy: -160.652
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: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2126.949606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.949606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.949606 (E_RNA)
where:
Base-Base interactions energy: -1417.090
where: short stacking energy: -629.543
Base-Backbone interact. energy: -2.307
local terms energy: -707.552602
where:
bonds (distance) C4'-P energy: -120.499
bonds (distance) P-C4' energy: -136.495
flat angles C4'-P-C4' energy: -159.692
flat angles P-C4'-P energy: -106.992
tors. eta vs tors. theta energy: -183.874
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: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1895.227743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.227743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.227743 (E_RNA)
where:
Base-Base interactions energy: -1230.182
where: short stacking energy: -566.609
Base-Backbone interact. energy: 0.113
local terms energy: -665.159358
where:
bonds (distance) C4'-P energy: -120.828
bonds (distance) P-C4' energy: -132.939
flat angles C4'-P-C4' energy: -158.519
flat angles P-C4'-P energy: -103.074
tors. eta vs tors. theta energy: -149.799
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: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1747.157684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.157684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.157684 (E_RNA)
where:
Base-Base interactions energy: -1113.202
where: short stacking energy: -514.161
Base-Backbone interact. energy: 0.387
local terms energy: -634.342073
where:
bonds (distance) C4'-P energy: -142.682
bonds (distance) P-C4' energy: -141.736
flat angles C4'-P-C4' energy: -136.953
flat angles P-C4'-P energy: -90.010
tors. eta vs tors. theta energy: -122.962
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: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1442.282503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.282503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.282503 (E_RNA)
where:
Base-Base interactions energy: -874.532
where: short stacking energy: -411.009
Base-Backbone interact. energy: -1.670
local terms energy: -566.080174
where:
bonds (distance) C4'-P energy: -117.953
bonds (distance) P-C4' energy: -140.295
flat angles C4'-P-C4' energy: -133.980
flat angles P-C4'-P energy: -91.019
tors. eta vs tors. theta energy: -82.834
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: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1356.614805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.614805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.614805 (E_RNA)
where:
Base-Base interactions energy: -884.564
where: short stacking energy: -419.702
Base-Backbone interact. energy: 3.319
local terms energy: -475.369512
where:
bonds (distance) C4'-P energy: -99.895
bonds (distance) P-C4' energy: -104.884
flat angles C4'-P-C4' energy: -127.261
flat angles P-C4'-P energy: -66.965
tors. eta vs tors. theta energy: -76.365
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: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1170.402496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.402496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.402496 (E_RNA)
where:
Base-Base interactions energy: -695.973
where: short stacking energy: -337.216
Base-Backbone interact. energy: 7.638
local terms energy: -482.067608
where:
bonds (distance) C4'-P energy: -122.615
bonds (distance) P-C4' energy: -131.850
flat angles C4'-P-C4' energy: -114.721
flat angles P-C4'-P energy: -59.798
tors. eta vs tors. theta energy: -53.084
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -876.916788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.916788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.916788 (E_RNA)
where:
Base-Base interactions energy: -462.471
where: short stacking energy: -226.206
Base-Backbone interact. energy: 2.919
local terms energy: -417.364707
where:
bonds (distance) C4'-P energy: -99.535
bonds (distance) P-C4' energy: -130.783
flat angles C4'-P-C4' energy: -111.557
flat angles P-C4'-P energy: -72.715
tors. eta vs tors. theta energy: -2.776
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: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -588.452765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.452765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.452765 (E_RNA)
where:
Base-Base interactions energy: -246.106
where: short stacking energy: -170.152
Base-Backbone interact. energy: 5.598
local terms energy: -347.945246
where:
bonds (distance) C4'-P energy: -121.745
bonds (distance) P-C4' energy: -116.909
flat angles C4'-P-C4' energy: -92.530
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: 21.911
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: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2354.667162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.667162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.667162 (E_RNA)
where:
Base-Base interactions energy: -1605.547
where: short stacking energy: -695.424
Base-Backbone interact. energy: -5.223
local terms energy: -743.897531
where:
bonds (distance) C4'-P energy: -141.841
bonds (distance) P-C4' energy: -145.550
flat angles C4'-P-C4' energy: -161.459
flat angles P-C4'-P energy: -102.371
tors. eta vs tors. theta energy: -192.677
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: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2114.566398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.566398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.566398 (E_RNA)
where:
Base-Base interactions energy: -1424.385
where: short stacking energy: -591.965
Base-Backbone interact. energy: -6.589
local terms energy: -683.592589
where:
bonds (distance) C4'-P energy: -141.521
bonds (distance) P-C4' energy: -136.790
flat angles C4'-P-C4' energy: -157.255
flat angles P-C4'-P energy: -89.363
tors. eta vs tors. theta energy: -158.664
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: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2174.787834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.787834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.787834 (E_RNA)
where:
Base-Base interactions energy: -1442.199
where: short stacking energy: -652.183
Base-Backbone interact. energy: -3.460
local terms energy: -729.128931
where:
bonds (distance) C4'-P energy: -124.212
bonds (distance) P-C4' energy: -150.781
flat angles C4'-P-C4' energy: -164.903
flat angles P-C4'-P energy: -112.568
tors. eta vs tors. theta energy: -176.665
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: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1882.011172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.011172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.011172 (E_RNA)
where:
Base-Base interactions energy: -1226.565
where: short stacking energy: -538.866
Base-Backbone interact. energy: -2.520
local terms energy: -652.926192
where:
bonds (distance) C4'-P energy: -132.787
bonds (distance) P-C4' energy: -130.022
flat angles C4'-P-C4' energy: -148.831
flat angles P-C4'-P energy: -97.565
tors. eta vs tors. theta energy: -143.722
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: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1811.311443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.311443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.311443 (E_RNA)
where:
Base-Base interactions energy: -1179.269
where: short stacking energy: -525.701
Base-Backbone interact. energy: 0.474
local terms energy: -632.516260
where:
bonds (distance) C4'-P energy: -128.183
bonds (distance) P-C4' energy: -141.343
flat angles C4'-P-C4' energy: -143.475
flat angles P-C4'-P energy: -90.297
tors. eta vs tors. theta energy: -129.218
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: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1513.878848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.878848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.878848 (E_RNA)
where:
Base-Base interactions energy: -935.770
where: short stacking energy: -445.083
Base-Backbone interact. energy: 0.315
local terms energy: -578.423960
where:
bonds (distance) C4'-P energy: -138.143
bonds (distance) P-C4' energy: -128.860
flat angles C4'-P-C4' energy: -117.608
flat angles P-C4'-P energy: -100.610
tors. eta vs tors. theta energy: -93.203
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1340.911292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.911292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.911292 (E_RNA)
where:
Base-Base interactions energy: -838.914
where: short stacking energy: -417.374
Base-Backbone interact. energy: -4.316
local terms energy: -497.681259
where:
bonds (distance) C4'-P energy: -108.448
bonds (distance) P-C4' energy: -130.972
flat angles C4'-P-C4' energy: -121.676
flat angles P-C4'-P energy: -63.379
tors. eta vs tors. theta energy: -73.206
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: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1123.500363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.500363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.500363 (E_RNA)
where:
Base-Base interactions energy: -639.500
where: short stacking energy: -297.093
Base-Backbone interact. energy: -0.770
local terms energy: -483.229974
where:
bonds (distance) C4'-P energy: -121.801
bonds (distance) P-C4' energy: -125.436
flat angles C4'-P-C4' energy: -131.783
flat angles P-C4'-P energy: -82.725
tors. eta vs tors. theta energy: -21.485
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: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -963.588924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.588924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.588924 (E_RNA)
where:
Base-Base interactions energy: -489.435
where: short stacking energy: -280.134
Base-Backbone interact. energy: -0.038
local terms energy: -474.116025
where:
bonds (distance) C4'-P energy: -101.193
bonds (distance) P-C4' energy: -143.980
flat angles C4'-P-C4' energy: -127.796
flat angles P-C4'-P energy: -68.348
tors. eta vs tors. theta energy: -32.799
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: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -574.170612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.170612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.170612 (E_RNA)
where:
Base-Base interactions energy: -186.629
where: short stacking energy: -166.631
Base-Backbone interact. energy: 2.423
local terms energy: -389.964252
where:
bonds (distance) C4'-P energy: -130.638
bonds (distance) P-C4' energy: -113.570
flat angles C4'-P-C4' energy: -106.971
flat angles P-C4'-P energy: -64.581
tors. eta vs tors. theta energy: 25.795
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: 51
Temperature: 0.900000
Total energy: -2303.219567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.219567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.219567 (E_RNA)
where:
Base-Base interactions energy: -1549.555
where: short stacking energy: -722.554
Base-Backbone interact. energy: -2.802
local terms energy: -750.862312
where:
bonds (distance) C4'-P energy: -137.152
bonds (distance) P-C4' energy: -139.712
flat angles C4'-P-C4' energy: -180.788
flat angles P-C4'-P energy: -104.725
tors. eta vs tors. theta energy: -188.485
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: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2185.342561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.342561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.342561 (E_RNA)
where:
Base-Base interactions energy: -1483.331
where: short stacking energy: -649.679
Base-Backbone interact. energy: -6.337
local terms energy: -695.675179
where:
bonds (distance) C4'-P energy: -133.907
bonds (distance) P-C4' energy: -146.661
flat angles C4'-P-C4' energy: -146.376
flat angles P-C4'-P energy: -102.529
tors. eta vs tors. theta energy: -166.203
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: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2047.683230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.683230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.683230 (E_RNA)
where:
Base-Base interactions energy: -1381.354
where: short stacking energy: -582.089
Base-Backbone interact. energy: -6.646
local terms energy: -659.682968
where:
bonds (distance) C4'-P energy: -131.602
bonds (distance) P-C4' energy: -125.083
flat angles C4'-P-C4' energy: -148.492
flat angles P-C4'-P energy: -100.885
tors. eta vs tors. theta energy: -153.621
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: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1903.094867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.094867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.094867 (E_RNA)
where:
Base-Base interactions energy: -1240.049
where: short stacking energy: -562.623
Base-Backbone interact. energy: -3.748
local terms energy: -659.297194
where:
bonds (distance) C4'-P energy: -142.083
bonds (distance) P-C4' energy: -135.416
flat angles C4'-P-C4' energy: -141.672
flat angles P-C4'-P energy: -87.685
tors. eta vs tors. theta energy: -152.442
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1700.712682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.712682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.712682 (E_RNA)
where:
Base-Base interactions energy: -1089.250
where: short stacking energy: -518.959
Base-Backbone interact. energy: 0.813
local terms energy: -612.275843
where:
bonds (distance) C4'-P energy: -122.066
bonds (distance) P-C4' energy: -134.501
flat angles C4'-P-C4' energy: -149.291
flat angles P-C4'-P energy: -86.133
tors. eta vs tors. theta energy: -120.285
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: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1585.280378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.280378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.280378 (E_RNA)
where:
Base-Base interactions energy: -1010.643
where: short stacking energy: -468.631
Base-Backbone interact. energy: -1.405
local terms energy: -573.232429
where:
bonds (distance) C4'-P energy: -120.974
bonds (distance) P-C4' energy: -118.746
flat angles C4'-P-C4' energy: -131.720
flat angles P-C4'-P energy: -83.851
tors. eta vs tors. theta energy: -117.942
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: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1415.756206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.756206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.756206 (E_RNA)
where:
Base-Base interactions energy: -885.891
where: short stacking energy: -384.503
Base-Backbone interact. energy: 1.026
local terms energy: -530.891018
where:
bonds (distance) C4'-P energy: -126.666
bonds (distance) P-C4' energy: -137.767
flat angles C4'-P-C4' energy: -126.668
flat angles P-C4'-P energy: -69.936
tors. eta vs tors. theta energy: -69.853
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: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1156.627368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.627368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.627368 (E_RNA)
where:
Base-Base interactions energy: -671.530
where: short stacking energy: -375.445
Base-Backbone interact. energy: 6.973
local terms energy: -492.070397
where:
bonds (distance) C4'-P energy: -113.920
bonds (distance) P-C4' energy: -135.933
flat angles C4'-P-C4' energy: -125.140
flat angles P-C4'-P energy: -63.139
tors. eta vs tors. theta energy: -53.938
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: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1045.089161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.089161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.089161 (E_RNA)
where:
Base-Base interactions energy: -587.461
where: short stacking energy: -323.108
Base-Backbone interact. energy: -1.421
local terms energy: -456.207805
where:
bonds (distance) C4'-P energy: -108.106
bonds (distance) P-C4' energy: -115.790
flat angles C4'-P-C4' energy: -125.296
flat angles P-C4'-P energy: -73.822
tors. eta vs tors. theta energy: -33.194
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: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -559.587983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.587983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.587983 (E_RNA)
where:
Base-Base interactions energy: -220.788
where: short stacking energy: -199.470
Base-Backbone interact. energy: -0.386
local terms energy: -338.413075
where:
bonds (distance) C4'-P energy: -128.829
bonds (distance) P-C4' energy: -116.864
flat angles C4'-P-C4' energy: -95.966
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: 14.611
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: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2338.173996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.173996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.173996 (E_RNA)
where:
Base-Base interactions energy: -1576.738
where: short stacking energy: -691.525
Base-Backbone interact. energy: -3.340
local terms energy: -758.095855
where:
bonds (distance) C4'-P energy: -140.991
bonds (distance) P-C4' energy: -158.815
flat angles C4'-P-C4' energy: -162.218
flat angles P-C4'-P energy: -105.450
tors. eta vs tors. theta energy: -190.622
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: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2249.488279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.488279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.488279 (E_RNA)
where:
Base-Base interactions energy: -1525.960
where: short stacking energy: -676.623
Base-Backbone interact. energy: -2.169
local terms energy: -721.359591
where:
bonds (distance) C4'-P energy: -155.838
bonds (distance) P-C4' energy: -143.048
flat angles C4'-P-C4' energy: -161.521
flat angles P-C4'-P energy: -80.999
tors. eta vs tors. theta energy: -179.954
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: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2030.167553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.167553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.167553 (E_RNA)
where:
Base-Base interactions energy: -1360.999
where: short stacking energy: -573.505
Base-Backbone interact. energy: 2.783
local terms energy: -671.951612
where:
bonds (distance) C4'-P energy: -140.848
bonds (distance) P-C4' energy: -135.882
flat angles C4'-P-C4' energy: -144.287
flat angles P-C4'-P energy: -97.086
tors. eta vs tors. theta energy: -153.848
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: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1915.500838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.500838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.500838 (E_RNA)
where:
Base-Base interactions energy: -1266.016
where: short stacking energy: -567.692
Base-Backbone interact. energy: -2.924
local terms energy: -646.561245
where:
bonds (distance) C4'-P energy: -131.430
bonds (distance) P-C4' energy: -133.289
flat angles C4'-P-C4' energy: -146.602
flat angles P-C4'-P energy: -83.027
tors. eta vs tors. theta energy: -152.214
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: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1693.259894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.259894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.259894 (E_RNA)
where:
Base-Base interactions energy: -1072.729
where: short stacking energy: -520.609
Base-Backbone interact. energy: 0.502
local terms energy: -621.033206
where:
bonds (distance) C4'-P energy: -122.500
bonds (distance) P-C4' energy: -143.548
flat angles C4'-P-C4' energy: -143.851
flat angles P-C4'-P energy: -79.680
tors. eta vs tors. theta energy: -131.454
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: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1592.259866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.259866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.259866 (E_RNA)
where:
Base-Base interactions energy: -1005.890
where: short stacking energy: -481.455
Base-Backbone interact. energy: -0.619
local terms energy: -585.750195
where:
bonds (distance) C4'-P energy: -120.384
bonds (distance) P-C4' energy: -132.841
flat angles C4'-P-C4' energy: -143.268
flat angles P-C4'-P energy: -84.454
tors. eta vs tors. theta energy: -104.803
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: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1425.048698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.048698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.048698 (E_RNA)
where:
Base-Base interactions energy: -882.896
where: short stacking energy: -397.987
Base-Backbone interact. energy: -4.547
local terms energy: -537.605356
where:
bonds (distance) C4'-P energy: -138.965
bonds (distance) P-C4' energy: -112.614
flat angles C4'-P-C4' energy: -130.928
flat angles P-C4'-P energy: -77.252
tors. eta vs tors. theta energy: -77.847
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: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1095.946573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.946573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.946573 (E_RNA)
where:
Base-Base interactions energy: -621.137
where: short stacking energy: -321.211
Base-Backbone interact. energy: 0.643
local terms energy: -475.452285
where:
bonds (distance) C4'-P energy: -107.738
bonds (distance) P-C4' energy: -142.405
flat angles C4'-P-C4' energy: -107.375
flat angles P-C4'-P energy: -79.381
tors. eta vs tors. theta energy: -38.554
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: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -984.333673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.333673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.333673 (E_RNA)
where:
Base-Base interactions energy: -527.077
where: short stacking energy: -294.746
Base-Backbone interact. energy: -2.730
local terms energy: -454.525991
where:
bonds (distance) C4'-P energy: -102.458
bonds (distance) P-C4' energy: -137.773
flat angles C4'-P-C4' energy: -105.284
flat angles P-C4'-P energy: -72.894
tors. eta vs tors. theta energy: -36.118
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: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -541.309200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.309200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.309200 (E_RNA)
where:
Base-Base interactions energy: -178.631
where: short stacking energy: -157.646
Base-Backbone interact. energy: 3.233
local terms energy: -365.912041
where:
bonds (distance) C4'-P energy: -111.401
bonds (distance) P-C4' energy: -109.013
flat angles C4'-P-C4' energy: -100.713
flat angles P-C4'-P energy: -61.888
tors. eta vs tors. theta energy: 17.103
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: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2354.946249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.946249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.946249 (E_RNA)
where:
Base-Base interactions energy: -1585.825
where: short stacking energy: -710.375
Base-Backbone interact. energy: -1.215
local terms energy: -767.906120
where:
bonds (distance) C4'-P energy: -152.066
bonds (distance) P-C4' energy: -135.970
flat angles C4'-P-C4' energy: -173.846
flat angles P-C4'-P energy: -106.466
tors. eta vs tors. theta energy: -199.559
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: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2232.898328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.898328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.898328 (E_RNA)
where:
Base-Base interactions energy: -1496.346
where: short stacking energy: -636.579
Base-Backbone interact. energy: 1.128
local terms energy: -737.680327
where:
bonds (distance) C4'-P energy: -148.199
bonds (distance) P-C4' energy: -143.039
flat angles C4'-P-C4' energy: -157.233
flat angles P-C4'-P energy: -101.096
tors. eta vs tors. theta energy: -188.113
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: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2070.513925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.513925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.513925 (E_RNA)
where:
Base-Base interactions energy: -1372.996
where: short stacking energy: -601.343
Base-Backbone interact. energy: 1.860
local terms energy: -699.377480
where:
bonds (distance) C4'-P energy: -131.430
bonds (distance) P-C4' energy: -155.473
flat angles C4'-P-C4' energy: -146.002
flat angles P-C4'-P energy: -98.409
tors. eta vs tors. theta energy: -168.063
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: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1888.407285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.407285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.407285 (E_RNA)
where:
Base-Base interactions energy: -1237.813
where: short stacking energy: -538.494
Base-Backbone interact. energy: -2.958
local terms energy: -647.636528
where:
bonds (distance) C4'-P energy: -127.397
bonds (distance) P-C4' energy: -145.063
flat angles C4'-P-C4' energy: -155.211
flat angles P-C4'-P energy: -91.608
tors. eta vs tors. theta energy: -128.356
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: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1720.687280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.687280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.687280 (E_RNA)
where:
Base-Base interactions energy: -1126.568
where: short stacking energy: -516.523
Base-Backbone interact. energy: -1.411
local terms energy: -592.708177
where:
bonds (distance) C4'-P energy: -113.117
bonds (distance) P-C4' energy: -114.338
flat angles C4'-P-C4' energy: -131.656
flat angles P-C4'-P energy: -108.452
tors. eta vs tors. theta energy: -125.145
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: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1591.433428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.433428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.433428 (E_RNA)
where:
Base-Base interactions energy: -1034.333
where: short stacking energy: -475.983
Base-Backbone interact. energy: 2.083
local terms energy: -559.182792
where:
bonds (distance) C4'-P energy: -124.398
bonds (distance) P-C4' energy: -122.088
flat angles C4'-P-C4' energy: -131.587
flat angles P-C4'-P energy: -74.012
tors. eta vs tors. theta energy: -107.098
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: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1454.800652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.800652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.800652 (E_RNA)
where:
Base-Base interactions energy: -903.856
where: short stacking energy: -458.318
Base-Backbone interact. energy: 4.723
local terms energy: -555.667839
where:
bonds (distance) C4'-P energy: -128.629
bonds (distance) P-C4' energy: -120.828
flat angles C4'-P-C4' energy: -125.391
flat angles P-C4'-P energy: -86.128
tors. eta vs tors. theta energy: -94.692
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: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1100.433979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.433979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.433979 (E_RNA)
where:
Base-Base interactions energy: -653.144
where: short stacking energy: -311.396
Base-Backbone interact. energy: 0.863
local terms energy: -448.152829
where:
bonds (distance) C4'-P energy: -109.765
bonds (distance) P-C4' energy: -117.348
flat angles C4'-P-C4' energy: -99.245
flat angles P-C4'-P energy: -72.813
tors. eta vs tors. theta energy: -48.982
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: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -925.690967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.690967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.690967 (E_RNA)
where:
Base-Base interactions energy: -506.101
where: short stacking energy: -277.069
Base-Backbone interact. energy: 0.398
local terms energy: -419.987682
where:
bonds (distance) C4'-P energy: -121.633
bonds (distance) P-C4' energy: -117.428
flat angles C4'-P-C4' energy: -115.963
flat angles P-C4'-P energy: -47.814
tors. eta vs tors. theta energy: -17.149
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: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -605.772559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.772559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.772559 (E_RNA)
where:
Base-Base interactions energy: -242.282
where: short stacking energy: -161.659
Base-Backbone interact. energy: 1.846
local terms energy: -365.336587
where:
bonds (distance) C4'-P energy: -125.512
bonds (distance) P-C4' energy: -107.536
flat angles C4'-P-C4' energy: -97.203
flat angles P-C4'-P energy: -52.379
tors. eta vs tors. theta energy: 17.294
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: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2339.514634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.514634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.514634 (E_RNA)
where:
Base-Base interactions energy: -1590.701
where: short stacking energy: -694.720
Base-Backbone interact. energy: -3.275
local terms energy: -745.538587
where:
bonds (distance) C4'-P energy: -144.050
bonds (distance) P-C4' energy: -161.873
flat angles C4'-P-C4' energy: -163.872
flat angles P-C4'-P energy: -100.988
tors. eta vs tors. theta energy: -174.755
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: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2237.222233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.222233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.222233 (E_RNA)
where:
Base-Base interactions energy: -1514.799
where: short stacking energy: -665.309
Base-Backbone interact. energy: 1.701
local terms energy: -724.124214
where:
bonds (distance) C4'-P energy: -125.349
bonds (distance) P-C4' energy: -158.977
flat angles C4'-P-C4' energy: -153.184
flat angles P-C4'-P energy: -113.868
tors. eta vs tors. theta energy: -172.747
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: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2001.819249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.819249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.819249 (E_RNA)
where:
Base-Base interactions energy: -1320.993
where: short stacking energy: -562.200
Base-Backbone interact. energy: -4.143
local terms energy: -676.682347
where:
bonds (distance) C4'-P energy: -129.402
bonds (distance) P-C4' energy: -148.567
flat angles C4'-P-C4' energy: -144.805
flat angles P-C4'-P energy: -99.685
tors. eta vs tors. theta energy: -154.223
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: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1919.381102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.381102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.381102 (E_RNA)
where:
Base-Base interactions energy: -1279.080
where: short stacking energy: -563.239
Base-Backbone interact. energy: -8.013
local terms energy: -632.288334
where:
bonds (distance) C4'-P energy: -131.643
bonds (distance) P-C4' energy: -128.874
flat angles C4'-P-C4' energy: -133.369
flat angles P-C4'-P energy: -88.462
tors. eta vs tors. theta energy: -149.940
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: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1714.467641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.467641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.467641 (E_RNA)
where:
Base-Base interactions energy: -1106.308
where: short stacking energy: -504.913
Base-Backbone interact. energy: 5.489
local terms energy: -613.648320
where:
bonds (distance) C4'-P energy: -132.770
bonds (distance) P-C4' energy: -133.754
flat angles C4'-P-C4' energy: -142.081
flat angles P-C4'-P energy: -84.114
tors. eta vs tors. theta energy: -120.930
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: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1605.592914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.592914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.592914 (E_RNA)
where:
Base-Base interactions energy: -1035.110
where: short stacking energy: -491.038
Base-Backbone interact. energy: -1.852
local terms energy: -568.630883
where:
bonds (distance) C4'-P energy: -115.111
bonds (distance) P-C4' energy: -143.216
flat angles C4'-P-C4' energy: -129.392
flat angles P-C4'-P energy: -70.682
tors. eta vs tors. theta energy: -110.229
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1522.493666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.493666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.493666 (E_RNA)
where:
Base-Base interactions energy: -977.003
where: short stacking energy: -439.617
Base-Backbone interact. energy: -1.501
local terms energy: -543.989689
where:
bonds (distance) C4'-P energy: -131.858
bonds (distance) P-C4' energy: -111.213
flat angles C4'-P-C4' energy: -127.777
flat angles P-C4'-P energy: -81.513
tors. eta vs tors. theta energy: -91.629
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: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1157.324844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.324844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.324844 (E_RNA)
where:
Base-Base interactions energy: -666.067
where: short stacking energy: -353.189
Base-Backbone interact. energy: -2.842
local terms energy: -488.416614
where:
bonds (distance) C4'-P energy: -112.884
bonds (distance) P-C4' energy: -141.808
flat angles C4'-P-C4' energy: -120.461
flat angles P-C4'-P energy: -69.354
tors. eta vs tors. theta energy: -43.910
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: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -888.914560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.914560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.914560 (E_RNA)
where:
Base-Base interactions energy: -475.612
where: short stacking energy: -272.160
Base-Backbone interact. energy: -4.129
local terms energy: -409.174345
where:
bonds (distance) C4'-P energy: -120.096
bonds (distance) P-C4' energy: -105.813
flat angles C4'-P-C4' energy: -114.092
flat angles P-C4'-P energy: -45.205
tors. eta vs tors. theta energy: -23.968
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: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -588.515507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.515507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.515507 (E_RNA)
where:
Base-Base interactions energy: -187.930
where: short stacking energy: -170.009
Base-Backbone interact. energy: 0.531
local terms energy: -401.116541
where:
bonds (distance) C4'-P energy: -109.658
bonds (distance) P-C4' energy: -131.520
flat angles C4'-P-C4' energy: -102.743
flat angles P-C4'-P energy: -54.894
tors. eta vs tors. theta energy: -2.302
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: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2331.323663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.323663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.323663 (E_RNA)
where:
Base-Base interactions energy: -1560.577
where: short stacking energy: -670.433
Base-Backbone interact. energy: -1.690
local terms energy: -769.056599
where:
bonds (distance) C4'-P energy: -155.834
bonds (distance) P-C4' energy: -148.247
flat angles C4'-P-C4' energy: -173.582
flat angles P-C4'-P energy: -105.502
tors. eta vs tors. theta energy: -185.892
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: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2226.309543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.309543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.309543 (E_RNA)
where:
Base-Base interactions energy: -1490.166
where: short stacking energy: -651.669
Base-Backbone interact. energy: -5.384
local terms energy: -730.759409
where:
bonds (distance) C4'-P energy: -142.172
bonds (distance) P-C4' energy: -140.365
flat angles C4'-P-C4' energy: -164.248
flat angles P-C4'-P energy: -108.767
tors. eta vs tors. theta energy: -175.208
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: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2019.820417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.820417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.820417 (E_RNA)
where:
Base-Base interactions energy: -1347.281
where: short stacking energy: -558.439
Base-Backbone interact. energy: -2.841
local terms energy: -669.698306
where:
bonds (distance) C4'-P energy: -146.570
bonds (distance) P-C4' energy: -126.384
flat angles C4'-P-C4' energy: -159.590
flat angles P-C4'-P energy: -87.346
tors. eta vs tors. theta energy: -149.809
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: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1903.405678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.405678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.405678 (E_RNA)
where:
Base-Base interactions energy: -1278.718
where: short stacking energy: -568.342
Base-Backbone interact. energy: -3.011
local terms energy: -621.676649
where:
bonds (distance) C4'-P energy: -128.265
bonds (distance) P-C4' energy: -132.783
flat angles C4'-P-C4' energy: -152.867
flat angles P-C4'-P energy: -72.594
tors. eta vs tors. theta energy: -135.167
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: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1701.739247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.739247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.739247 (E_RNA)
where:
Base-Base interactions energy: -1068.953
where: short stacking energy: -509.394
Base-Backbone interact. energy: -2.067
local terms energy: -630.719362
where:
bonds (distance) C4'-P energy: -128.727
bonds (distance) P-C4' energy: -140.474
flat angles C4'-P-C4' energy: -149.260
flat angles P-C4'-P energy: -84.775
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: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1570.741232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.741232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.741232 (E_RNA)
where:
Base-Base interactions energy: -1005.227
where: short stacking energy: -462.098
Base-Backbone interact. energy: -2.012
local terms energy: -563.503145
where:
bonds (distance) C4'-P energy: -112.656
bonds (distance) P-C4' energy: -161.808
flat angles C4'-P-C4' energy: -122.569
flat angles P-C4'-P energy: -60.521
tors. eta vs tors. theta energy: -105.949
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: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1501.615573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.615573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.615573 (E_RNA)
where:
Base-Base interactions energy: -963.777
where: short stacking energy: -444.928
Base-Backbone interact. energy: -5.982
local terms energy: -531.856575
where:
bonds (distance) C4'-P energy: -108.019
bonds (distance) P-C4' energy: -145.385
flat angles C4'-P-C4' energy: -111.460
flat angles P-C4'-P energy: -81.739
tors. eta vs tors. theta energy: -85.254
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: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1205.363604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.363604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.363604 (E_RNA)
where:
Base-Base interactions energy: -697.405
where: short stacking energy: -353.283
Base-Backbone interact. energy: -1.527
local terms energy: -506.432132
where:
bonds (distance) C4'-P energy: -132.816
bonds (distance) P-C4' energy: -130.832
flat angles C4'-P-C4' energy: -106.242
flat angles P-C4'-P energy: -72.986
tors. eta vs tors. theta energy: -63.556
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: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -920.357672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.357672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.357672 (E_RNA)
where:
Base-Base interactions energy: -480.301
where: short stacking energy: -235.779
Base-Backbone interact. energy: 0.290
local terms energy: -440.346454
where:
bonds (distance) C4'-P energy: -120.941
bonds (distance) P-C4' energy: -137.463
flat angles C4'-P-C4' energy: -114.392
flat angles P-C4'-P energy: -65.740
tors. eta vs tors. theta energy: -1.810
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: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -566.668655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.668655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.668655 (E_RNA)
where:
Base-Base interactions energy: -206.502
where: short stacking energy: -172.250
Base-Backbone interact. energy: -0.833
local terms energy: -359.332800
where:
bonds (distance) C4'-P energy: -101.084
bonds (distance) P-C4' energy: -120.888
flat angles C4'-P-C4' energy: -92.527
flat angles P-C4'-P energy: -66.516
tors. eta vs tors. theta energy: 21.681
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: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2343.707241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.707241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.707241 (E_RNA)
where:
Base-Base interactions energy: -1589.300
where: short stacking energy: -689.871
Base-Backbone interact. energy: -7.242
local terms energy: -747.165335
where:
bonds (distance) C4'-P energy: -145.773
bonds (distance) P-C4' energy: -141.913
flat angles C4'-P-C4' energy: -169.614
flat angles P-C4'-P energy: -102.881
tors. eta vs tors. theta energy: -186.985
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: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2258.950840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.950840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.950840 (E_RNA)
where:
Base-Base interactions energy: -1526.849
where: short stacking energy: -666.028
Base-Backbone interact. energy: -3.723
local terms energy: -728.379052
where:
bonds (distance) C4'-P energy: -128.699
bonds (distance) P-C4' energy: -132.419
flat angles C4'-P-C4' energy: -167.870
flat angles P-C4'-P energy: -111.690
tors. eta vs tors. theta energy: -187.701
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: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2079.834379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.834379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.834379 (E_RNA)
where:
Base-Base interactions energy: -1412.367
where: short stacking energy: -589.024
Base-Backbone interact. energy: -2.919
local terms energy: -664.548891
where:
bonds (distance) C4'-P energy: -135.341
bonds (distance) P-C4' energy: -133.479
flat angles C4'-P-C4' energy: -151.369
flat angles P-C4'-P energy: -95.958
tors. eta vs tors. theta energy: -148.402
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: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1901.261496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.261496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.261496 (E_RNA)
where:
Base-Base interactions energy: -1271.189
where: short stacking energy: -574.877
Base-Backbone interact. energy: -5.352
local terms energy: -624.720919
where:
bonds (distance) C4'-P energy: -136.285
bonds (distance) P-C4' energy: -123.208
flat angles C4'-P-C4' energy: -143.573
flat angles P-C4'-P energy: -72.209
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: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1748.205682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.205682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.205682 (E_RNA)
where:
Base-Base interactions energy: -1111.065
where: short stacking energy: -499.083
Base-Backbone interact. energy: -3.572
local terms energy: -633.569096
where:
bonds (distance) C4'-P energy: -140.633
bonds (distance) P-C4' energy: -142.975
flat angles C4'-P-C4' energy: -136.706
flat angles P-C4'-P energy: -90.713
tors. eta vs tors. theta energy: -122.542
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: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1625.687060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.687060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.687060 (E_RNA)
where:
Base-Base interactions energy: -1033.548
where: short stacking energy: -520.841
Base-Backbone interact. energy: 4.561
local terms energy: -596.700674
where:
bonds (distance) C4'-P energy: -131.857
bonds (distance) P-C4' energy: -137.013
flat angles C4'-P-C4' energy: -138.208
flat angles P-C4'-P energy: -79.129
tors. eta vs tors. theta energy: -110.493
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: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1486.253403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.253403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.253403 (E_RNA)
where:
Base-Base interactions energy: -982.532
where: short stacking energy: -448.894
Base-Backbone interact. energy: -2.682
local terms energy: -501.039114
where:
bonds (distance) C4'-P energy: -113.357
bonds (distance) P-C4' energy: -131.406
flat angles C4'-P-C4' energy: -111.873
flat angles P-C4'-P energy: -70.106
tors. eta vs tors. theta energy: -74.297
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: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1253.704803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.704803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.704803 (E_RNA)
where:
Base-Base interactions energy: -723.624
where: short stacking energy: -364.225
Base-Backbone interact. energy: -2.420
local terms energy: -527.660867
where:
bonds (distance) C4'-P energy: -141.825
bonds (distance) P-C4' energy: -118.087
flat angles C4'-P-C4' energy: -132.157
flat angles P-C4'-P energy: -86.520
tors. eta vs tors. theta energy: -49.072
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: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1042.322938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.322938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.322938 (E_RNA)
where:
Base-Base interactions energy: -589.480
where: short stacking energy: -285.571
Base-Backbone interact. energy: 0.503
local terms energy: -453.345853
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -125.827
flat angles C4'-P-C4' energy: -117.081
flat angles P-C4'-P energy: -55.838
tors. eta vs tors. theta energy: -29.345
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: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -550.367556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.367556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.367556 (E_RNA)
where:
Base-Base interactions energy: -185.113
where: short stacking energy: -158.979
Base-Backbone interact. energy: 0.555
local terms energy: -365.809756
where:
bonds (distance) C4'-P energy: -131.317
bonds (distance) P-C4' energy: -121.655
flat angles C4'-P-C4' energy: -85.638
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: 23.798
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: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2352.436093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.436093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.436093 (E_RNA)
where:
Base-Base interactions energy: -1593.886
where: short stacking energy: -689.348
Base-Backbone interact. energy: -7.009
local terms energy: -751.541548
where:
bonds (distance) C4'-P energy: -137.459
bonds (distance) P-C4' energy: -150.278
flat angles C4'-P-C4' energy: -165.376
flat angles P-C4'-P energy: -118.423
tors. eta vs tors. theta energy: -180.005
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: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2265.722125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.722125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.722125 (E_RNA)
where:
Base-Base interactions energy: -1518.889
where: short stacking energy: -690.573
Base-Backbone interact. energy: -2.302
local terms energy: -744.530908
where:
bonds (distance) C4'-P energy: -149.343
bonds (distance) P-C4' energy: -151.151
flat angles C4'-P-C4' energy: -158.552
flat angles P-C4'-P energy: -101.997
tors. eta vs tors. theta energy: -183.488
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: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2056.662711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.662711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.662711 (E_RNA)
where:
Base-Base interactions energy: -1365.921
where: short stacking energy: -585.303
Base-Backbone interact. energy: 4.901
local terms energy: -695.642879
where:
bonds (distance) C4'-P energy: -139.341
bonds (distance) P-C4' energy: -144.901
flat angles C4'-P-C4' energy: -149.235
flat angles P-C4'-P energy: -106.378
tors. eta vs tors. theta energy: -155.788
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: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1917.214881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.214881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.214881 (E_RNA)
where:
Base-Base interactions energy: -1269.118
where: short stacking energy: -568.255
Base-Backbone interact. energy: -3.305
local terms energy: -644.792203
where:
bonds (distance) C4'-P energy: -129.234
bonds (distance) P-C4' energy: -132.277
flat angles C4'-P-C4' energy: -143.512
flat angles P-C4'-P energy: -90.178
tors. eta vs tors. theta energy: -149.592
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: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1692.567998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.567998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.567998 (E_RNA)
where:
Base-Base interactions energy: -1074.959
where: short stacking energy: -489.598
Base-Backbone interact. energy: -0.112
local terms energy: -617.496563
where:
bonds (distance) C4'-P energy: -143.847
bonds (distance) P-C4' energy: -139.795
flat angles C4'-P-C4' energy: -147.047
flat angles P-C4'-P energy: -81.242
tors. eta vs tors. theta energy: -105.565
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: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1580.700601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.700601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.700601 (E_RNA)
where:
Base-Base interactions energy: -1038.097
where: short stacking energy: -469.682
Base-Backbone interact. energy: -2.837
local terms energy: -539.766640
where:
bonds (distance) C4'-P energy: -99.799
bonds (distance) P-C4' energy: -123.036
flat angles C4'-P-C4' energy: -125.953
flat angles P-C4'-P energy: -90.129
tors. eta vs tors. theta energy: -100.850
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: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1425.383660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.383660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.383660 (E_RNA)
where:
Base-Base interactions energy: -915.897
where: short stacking energy: -431.275
Base-Backbone interact. energy: 1.904
local terms energy: -511.390287
where:
bonds (distance) C4'-P energy: -119.185
bonds (distance) P-C4' energy: -136.192
flat angles C4'-P-C4' energy: -116.391
flat angles P-C4'-P energy: -65.668
tors. eta vs tors. theta energy: -73.954
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: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1218.670204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.670204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.670204 (E_RNA)
where:
Base-Base interactions energy: -712.975
where: short stacking energy: -335.393
Base-Backbone interact. energy: -3.498
local terms energy: -502.197019
where:
bonds (distance) C4'-P energy: -141.984
bonds (distance) P-C4' energy: -121.875
flat angles C4'-P-C4' energy: -120.035
flat angles P-C4'-P energy: -64.569
tors. eta vs tors. theta energy: -53.734
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: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1019.990992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.990992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.990992 (E_RNA)
where:
Base-Base interactions energy: -566.275
where: short stacking energy: -315.039
Base-Backbone interact. energy: -3.191
local terms energy: -450.525207
where:
bonds (distance) C4'-P energy: -107.886
bonds (distance) P-C4' energy: -131.216
flat angles C4'-P-C4' energy: -116.673
flat angles P-C4'-P energy: -66.438
tors. eta vs tors. theta energy: -28.313
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: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -522.528821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.528821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.528821 (E_RNA)
where:
Base-Base interactions energy: -182.928
where: short stacking energy: -141.592
Base-Backbone interact. energy: 3.214
local terms energy: -342.814669
where:
bonds (distance) C4'-P energy: -113.065
bonds (distance) P-C4' energy: -116.172
flat angles C4'-P-C4' energy: -82.246
flat angles P-C4'-P energy: -55.181
tors. eta vs tors. theta energy: 23.849
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: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2363.774438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.774438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.774438 (E_RNA)
where:
Base-Base interactions energy: -1609.099
where: short stacking energy: -708.332
Base-Backbone interact. energy: -1.959
local terms energy: -752.716020
where:
bonds (distance) C4'-P energy: -141.923
bonds (distance) P-C4' energy: -157.043
flat angles C4'-P-C4' energy: -166.175
flat angles P-C4'-P energy: -100.171
tors. eta vs tors. theta energy: -187.404
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: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2235.577088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.577088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.577088 (E_RNA)
where:
Base-Base interactions energy: -1490.835
where: short stacking energy: -650.738
Base-Backbone interact. energy: -0.030
local terms energy: -744.711699
where:
bonds (distance) C4'-P energy: -164.888
bonds (distance) P-C4' energy: -142.711
flat angles C4'-P-C4' energy: -167.731
flat angles P-C4'-P energy: -97.539
tors. eta vs tors. theta energy: -171.843
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: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2078.518833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.518833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.518833 (E_RNA)
where:
Base-Base interactions energy: -1405.086
where: short stacking energy: -592.948
Base-Backbone interact. energy: 0.648
local terms energy: -674.080412
where:
bonds (distance) C4'-P energy: -135.703
bonds (distance) P-C4' energy: -126.353
flat angles C4'-P-C4' energy: -157.997
flat angles P-C4'-P energy: -96.796
tors. eta vs tors. theta energy: -157.232
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: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1947.685337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.685337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.685337 (E_RNA)
where:
Base-Base interactions energy: -1290.357
where: short stacking energy: -584.985
Base-Backbone interact. energy: 2.401
local terms energy: -659.729423
where:
bonds (distance) C4'-P energy: -143.102
bonds (distance) P-C4' energy: -130.132
flat angles C4'-P-C4' energy: -148.596
flat angles P-C4'-P energy: -97.534
tors. eta vs tors. theta energy: -140.366
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: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1773.198102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.198102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.198102 (E_RNA)
where:
Base-Base interactions energy: -1151.622
where: short stacking energy: -531.414
Base-Backbone interact. energy: -4.393
local terms energy: -617.183048
where:
bonds (distance) C4'-P energy: -123.919
bonds (distance) P-C4' energy: -135.829
flat angles C4'-P-C4' energy: -136.934
flat angles P-C4'-P energy: -98.140
tors. eta vs tors. theta energy: -122.361
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: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1649.279704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.279704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.279704 (E_RNA)
where:
Base-Base interactions energy: -1068.876
where: short stacking energy: -477.930
Base-Backbone interact. energy: 0.650
local terms energy: -581.053582
where:
bonds (distance) C4'-P energy: -113.066
bonds (distance) P-C4' energy: -130.071
flat angles C4'-P-C4' energy: -135.534
flat angles P-C4'-P energy: -84.864
tors. eta vs tors. theta energy: -117.518
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: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1480.040650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.040650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.040650 (E_RNA)
where:
Base-Base interactions energy: -933.958
where: short stacking energy: -427.227
Base-Backbone interact. energy: 2.487
local terms energy: -548.569142
where:
bonds (distance) C4'-P energy: -123.141
bonds (distance) P-C4' energy: -117.330
flat angles C4'-P-C4' energy: -138.523
flat angles P-C4'-P energy: -81.619
tors. eta vs tors. theta energy: -87.956
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: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1244.242391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.242391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.242391 (E_RNA)
where:
Base-Base interactions energy: -754.439
where: short stacking energy: -365.322
Base-Backbone interact. energy: 0.226
local terms energy: -490.029097
where:
bonds (distance) C4'-P energy: -110.417
bonds (distance) P-C4' energy: -112.252
flat angles C4'-P-C4' energy: -113.682
flat angles P-C4'-P energy: -79.908
tors. eta vs tors. theta energy: -73.770
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: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1020.493416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.493416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.493416 (E_RNA)
where:
Base-Base interactions energy: -557.577
where: short stacking energy: -296.694
Base-Backbone interact. energy: -3.952
local terms energy: -458.964223
where:
bonds (distance) C4'-P energy: -119.905
bonds (distance) P-C4' energy: -119.676
flat angles C4'-P-C4' energy: -118.224
flat angles P-C4'-P energy: -62.006
tors. eta vs tors. theta energy: -39.153
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: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -550.910140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.910140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.910140 (E_RNA)
where:
Base-Base interactions energy: -183.084
where: short stacking energy: -158.676
Base-Backbone interact. energy: 0.157
local terms energy: -367.982734
where:
bonds (distance) C4'-P energy: -106.973
bonds (distance) P-C4' energy: -125.134
flat angles C4'-P-C4' energy: -101.719
flat angles P-C4'-P energy: -63.691
tors. eta vs tors. theta energy: 29.535
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: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2380.669841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.669841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.669841 (E_RNA)
where:
Base-Base interactions energy: -1626.908
where: short stacking energy: -722.722
Base-Backbone interact. energy: -5.588
local terms energy: -748.173804
where:
bonds (distance) C4'-P energy: -137.761
bonds (distance) P-C4' energy: -143.593
flat angles C4'-P-C4' energy: -169.418
flat angles P-C4'-P energy: -99.245
tors. eta vs tors. theta energy: -198.158
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: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2222.917633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.917633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.917633 (E_RNA)
where:
Base-Base interactions energy: -1524.092
where: short stacking energy: -667.755
Base-Backbone interact. energy: -3.012
local terms energy: -695.813829
where:
bonds (distance) C4'-P energy: -127.269
bonds (distance) P-C4' energy: -130.506
flat angles C4'-P-C4' energy: -159.155
flat angles P-C4'-P energy: -95.880
tors. eta vs tors. theta energy: -183.004
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: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2077.057219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.057219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.057219 (E_RNA)
where:
Base-Base interactions energy: -1401.264
where: short stacking energy: -574.576
Base-Backbone interact. energy: -5.634
local terms energy: -670.159086
where:
bonds (distance) C4'-P energy: -127.514
bonds (distance) P-C4' energy: -139.155
flat angles C4'-P-C4' energy: -156.839
flat angles P-C4'-P energy: -93.035
tors. eta vs tors. theta energy: -153.617
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: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1985.713415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.713415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.713415 (E_RNA)
where:
Base-Base interactions energy: -1334.780
where: short stacking energy: -596.342
Base-Backbone interact. energy: -3.380
local terms energy: -647.553958
where:
bonds (distance) C4'-P energy: -120.666
bonds (distance) P-C4' energy: -136.757
flat angles C4'-P-C4' energy: -126.099
flat angles P-C4'-P energy: -101.050
tors. eta vs tors. theta energy: -162.982
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: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1794.577026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.577026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.577026 (E_RNA)
where:
Base-Base interactions energy: -1192.583
where: short stacking energy: -515.250
Base-Backbone interact. energy: -1.337
local terms energy: -600.656535
where:
bonds (distance) C4'-P energy: -120.437
bonds (distance) P-C4' energy: -131.321
flat angles C4'-P-C4' energy: -152.076
flat angles P-C4'-P energy: -84.283
tors. eta vs tors. theta energy: -112.539
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: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1667.784132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.784132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.784132 (E_RNA)
where:
Base-Base interactions energy: -1093.103
where: short stacking energy: -477.887
Base-Backbone interact. energy: 5.410
local terms energy: -580.091907
where:
bonds (distance) C4'-P energy: -125.838
bonds (distance) P-C4' energy: -128.388
flat angles C4'-P-C4' energy: -127.575
flat angles P-C4'-P energy: -82.376
tors. eta vs tors. theta energy: -115.915
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: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1476.729105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.729105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.729105 (E_RNA)
where:
Base-Base interactions energy: -908.987
where: short stacking energy: -442.686
Base-Backbone interact. energy: 1.813
local terms energy: -569.555305
where:
bonds (distance) C4'-P energy: -111.532
bonds (distance) P-C4' energy: -125.776
flat angles C4'-P-C4' energy: -134.699
flat angles P-C4'-P energy: -103.323
tors. eta vs tors. theta energy: -94.224
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: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1275.118980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.118980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.118980 (E_RNA)
where:
Base-Base interactions energy: -761.270
where: short stacking energy: -370.731
Base-Backbone interact. energy: -0.161
local terms energy: -513.688772
where:
bonds (distance) C4'-P energy: -95.801
bonds (distance) P-C4' energy: -140.976
flat angles C4'-P-C4' energy: -130.361
flat angles P-C4'-P energy: -100.983
tors. eta vs tors. theta energy: -45.568
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: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -995.704702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.704702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.704702 (E_RNA)
where:
Base-Base interactions energy: -540.204
where: short stacking energy: -290.098
Base-Backbone interact. energy: -2.239
local terms energy: -453.261608
where:
bonds (distance) C4'-P energy: -107.503
bonds (distance) P-C4' energy: -140.673
flat angles C4'-P-C4' energy: -106.375
flat angles P-C4'-P energy: -68.822
tors. eta vs tors. theta energy: -29.888
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: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -579.263332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.263332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.263332 (E_RNA)
where:
Base-Base interactions energy: -208.085
where: short stacking energy: -162.750
Base-Backbone interact. energy: -0.715
local terms energy: -370.462911
where:
bonds (distance) C4'-P energy: -127.156
bonds (distance) P-C4' energy: -111.126
flat angles C4'-P-C4' energy: -109.200
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: 19.475
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: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2385.820683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.820683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.820683 (E_RNA)
where:
Base-Base interactions energy: -1639.517
where: short stacking energy: -723.437
Base-Backbone interact. energy: -5.407
local terms energy: -740.895976
where:
bonds (distance) C4'-P energy: -129.511
bonds (distance) P-C4' energy: -140.642
flat angles C4'-P-C4' energy: -160.928
flat angles P-C4'-P energy: -110.990
tors. eta vs tors. theta energy: -198.824
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2190.286131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.286131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.286131 (E_RNA)
where:
Base-Base interactions energy: -1498.483
where: short stacking energy: -655.274
Base-Backbone interact. energy: -2.288
local terms energy: -689.515054
where:
bonds (distance) C4'-P energy: -135.586
bonds (distance) P-C4' energy: -129.519
flat angles C4'-P-C4' energy: -157.211
flat angles P-C4'-P energy: -102.849
tors. eta vs tors. theta energy: -164.350
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: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2108.848127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.848127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.848127 (E_RNA)
where:
Base-Base interactions energy: -1429.851
where: short stacking energy: -619.821
Base-Backbone interact. energy: -3.488
local terms energy: -675.508857
where:
bonds (distance) C4'-P energy: -143.239
bonds (distance) P-C4' energy: -118.178
flat angles C4'-P-C4' energy: -143.107
flat angles P-C4'-P energy: -102.183
tors. eta vs tors. theta energy: -168.802
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: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1958.474086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.474086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.474086 (E_RNA)
where:
Base-Base interactions energy: -1307.259
where: short stacking energy: -572.215
Base-Backbone interact. energy: -4.023
local terms energy: -647.191913
where:
bonds (distance) C4'-P energy: -129.951
bonds (distance) P-C4' energy: -121.775
flat angles C4'-P-C4' energy: -146.404
flat angles P-C4'-P energy: -110.953
tors. eta vs tors. theta energy: -138.109
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: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1786.474003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.474003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.474003 (E_RNA)
where:
Base-Base interactions energy: -1182.222
where: short stacking energy: -524.832
Base-Backbone interact. energy: -0.222
local terms energy: -604.030330
where:
bonds (distance) C4'-P energy: -113.865
bonds (distance) P-C4' energy: -140.160
flat angles C4'-P-C4' energy: -141.546
flat angles P-C4'-P energy: -80.302
tors. eta vs tors. theta energy: -128.156
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: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1620.515270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.515270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.515270 (E_RNA)
where:
Base-Base interactions energy: -1030.831
where: short stacking energy: -461.381
Base-Backbone interact. energy: -1.391
local terms energy: -588.293198
where:
bonds (distance) C4'-P energy: -109.118
bonds (distance) P-C4' energy: -137.064
flat angles C4'-P-C4' energy: -130.700
flat angles P-C4'-P energy: -96.766
tors. eta vs tors. theta energy: -114.645
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: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1418.907631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.907631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.907631 (E_RNA)
where:
Base-Base interactions energy: -882.907
where: short stacking energy: -401.199
Base-Backbone interact. energy: -3.320
local terms energy: -532.680274
where:
bonds (distance) C4'-P energy: -135.741
bonds (distance) P-C4' energy: -121.923
flat angles C4'-P-C4' energy: -119.089
flat angles P-C4'-P energy: -88.653
tors. eta vs tors. theta energy: -67.274
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: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1236.197584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.197584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.197584 (E_RNA)
where:
Base-Base interactions energy: -778.090
where: short stacking energy: -362.482
Base-Backbone interact. energy: 4.998
local terms energy: -463.105083
where:
bonds (distance) C4'-P energy: -110.903
bonds (distance) P-C4' energy: -126.185
flat angles C4'-P-C4' energy: -101.709
flat angles P-C4'-P energy: -62.571
tors. eta vs tors. theta energy: -61.738
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: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1006.259005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.259005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.259005 (E_RNA)
where:
Base-Base interactions energy: -563.420
where: short stacking energy: -262.601
Base-Backbone interact. energy: 2.558
local terms energy: -445.396857
where:
bonds (distance) C4'-P energy: -117.217
bonds (distance) P-C4' energy: -119.964
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -50.914
tors. eta vs tors. theta energy: -34.620
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: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -560.839965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.839965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.839965 (E_RNA)
where:
Base-Base interactions energy: -198.020
where: short stacking energy: -173.587
Base-Backbone interact. energy: -1.594
local terms energy: -361.226636
where:
bonds (distance) C4'-P energy: -108.019
bonds (distance) P-C4' energy: -131.888
flat angles C4'-P-C4' energy: -91.472
flat angles P-C4'-P energy: -57.114
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: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2376.820371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.820371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.820371 (E_RNA)
where:
Base-Base interactions energy: -1618.119
where: short stacking energy: -708.899
Base-Backbone interact. energy: -2.906
local terms energy: -755.795065
where:
bonds (distance) C4'-P energy: -151.772
bonds (distance) P-C4' energy: -142.803
flat angles C4'-P-C4' energy: -157.161
flat angles P-C4'-P energy: -109.797
tors. eta vs tors. theta energy: -194.261
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: 61
Temperature: 0.950000
Total energy: -2235.215431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.215431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.215431 (E_RNA)
where:
Base-Base interactions energy: -1483.282
where: short stacking energy: -658.599
Base-Backbone interact. energy: -3.430
local terms energy: -748.503011
where:
bonds (distance) C4'-P energy: -159.842
bonds (distance) P-C4' energy: -135.280
flat angles C4'-P-C4' energy: -166.577
flat angles P-C4'-P energy: -94.135
tors. eta vs tors. theta energy: -192.669
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: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2079.310934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.310934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.310934 (E_RNA)
where:
Base-Base interactions energy: -1396.317
where: short stacking energy: -599.315
Base-Backbone interact. energy: -5.040
local terms energy: -677.953747
where:
bonds (distance) C4'-P energy: -133.745
bonds (distance) P-C4' energy: -126.329
flat angles C4'-P-C4' energy: -166.417
flat angles P-C4'-P energy: -91.080
tors. eta vs tors. theta energy: -160.384
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: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1972.190360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.190360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.190360 (E_RNA)
where:
Base-Base interactions energy: -1313.593
where: short stacking energy: -565.470
Base-Backbone interact. energy: 2.434
local terms energy: -661.031634
where:
bonds (distance) C4'-P energy: -117.552
bonds (distance) P-C4' energy: -149.168
flat angles C4'-P-C4' energy: -167.880
flat angles P-C4'-P energy: -95.894
tors. eta vs tors. theta energy: -130.537
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: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1708.127742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.127742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.127742 (E_RNA)
where:
Base-Base interactions energy: -1106.627
where: short stacking energy: -501.874
Base-Backbone interact. energy: -5.726
local terms energy: -595.775053
where:
bonds (distance) C4'-P energy: -137.444
bonds (distance) P-C4' energy: -137.487
flat angles C4'-P-C4' energy: -135.263
flat angles P-C4'-P energy: -70.026
tors. eta vs tors. theta energy: -115.555
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: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1702.371366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.371366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.371366 (E_RNA)
where:
Base-Base interactions energy: -1077.243
where: short stacking energy: -503.077
Base-Backbone interact. energy: -3.547
local terms energy: -621.581051
where:
bonds (distance) C4'-P energy: -134.115
bonds (distance) P-C4' energy: -141.384
flat angles C4'-P-C4' energy: -131.934
flat angles P-C4'-P energy: -89.866
tors. eta vs tors. theta energy: -124.282
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: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1423.146628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.146628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.146628 (E_RNA)
where:
Base-Base interactions energy: -904.733
where: short stacking energy: -441.330
Base-Backbone interact. energy: 1.907
local terms energy: -520.320662
where:
bonds (distance) C4'-P energy: -131.440
bonds (distance) P-C4' energy: -118.627
flat angles C4'-P-C4' energy: -111.330
flat angles P-C4'-P energy: -87.492
tors. eta vs tors. theta energy: -71.433
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: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1204.555962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.555962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.555962 (E_RNA)
where:
Base-Base interactions energy: -725.378
where: short stacking energy: -357.877
Base-Backbone interact. energy: 3.190
local terms energy: -482.368077
where:
bonds (distance) C4'-P energy: -122.763
bonds (distance) P-C4' energy: -122.185
flat angles C4'-P-C4' energy: -117.164
flat angles P-C4'-P energy: -75.849
tors. eta vs tors. theta energy: -44.407
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: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1009.133766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.133766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.133766 (E_RNA)
where:
Base-Base interactions energy: -582.513
where: short stacking energy: -273.858
Base-Backbone interact. energy: -4.118
local terms energy: -422.502887
where:
bonds (distance) C4'-P energy: -96.011
bonds (distance) P-C4' energy: -119.001
flat angles C4'-P-C4' energy: -100.811
flat angles P-C4'-P energy: -78.225
tors. eta vs tors. theta energy: -28.455
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: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -557.961708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.961708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.961708 (E_RNA)
where:
Base-Base interactions energy: -195.640
where: short stacking energy: -144.787
Base-Backbone interact. energy: 5.714
local terms energy: -368.035926
where:
bonds (distance) C4'-P energy: -117.878
bonds (distance) P-C4' energy: -122.704
flat angles C4'-P-C4' energy: -91.342
flat angles P-C4'-P energy: -68.326
tors. eta vs tors. theta energy: 32.213
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: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2388.078294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.078294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.078294 (E_RNA)
where:
Base-Base interactions energy: -1638.467
where: short stacking energy: -713.476
Base-Backbone interact. energy: -4.153
local terms energy: -745.458157
where:
bonds (distance) C4'-P energy: -115.997
bonds (distance) P-C4' energy: -145.552
flat angles C4'-P-C4' energy: -166.670
flat angles P-C4'-P energy: -111.234
tors. eta vs tors. theta energy: -206.005
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: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2205.863596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.863596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.863596 (E_RNA)
where:
Base-Base interactions energy: -1466.296
where: short stacking energy: -653.123
Base-Backbone interact. energy: -4.178
local terms energy: -735.390209
where:
bonds (distance) C4'-P energy: -147.486
bonds (distance) P-C4' energy: -132.537
flat angles C4'-P-C4' energy: -171.264
flat angles P-C4'-P energy: -102.066
tors. eta vs tors. theta energy: -182.037
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: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2106.812120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.812120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.812120 (E_RNA)
where:
Base-Base interactions energy: -1414.690
where: short stacking energy: -560.268
Base-Backbone interact. energy: 0.175
local terms energy: -692.296862
where:
bonds (distance) C4'-P energy: -141.700
bonds (distance) P-C4' energy: -152.079
flat angles C4'-P-C4' energy: -164.146
flat angles P-C4'-P energy: -79.536
tors. eta vs tors. theta energy: -154.836
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: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1997.716842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.716842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.716842 (E_RNA)
where:
Base-Base interactions energy: -1329.062
where: short stacking energy: -548.367
Base-Backbone interact. energy: 0.401
local terms energy: -669.055406
where:
bonds (distance) C4'-P energy: -148.173
bonds (distance) P-C4' energy: -149.399
flat angles C4'-P-C4' energy: -143.390
flat angles P-C4'-P energy: -80.113
tors. eta vs tors. theta energy: -147.981
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: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1755.914102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.914102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.914102 (E_RNA)
where:
Base-Base interactions energy: -1167.980
where: short stacking energy: -532.261
Base-Backbone interact. energy: 3.302
local terms energy: -591.236635
where:
bonds (distance) C4'-P energy: -119.291
bonds (distance) P-C4' energy: -132.792
flat angles C4'-P-C4' energy: -141.745
flat angles P-C4'-P energy: -67.934
tors. eta vs tors. theta energy: -129.475
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: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1653.491634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.491634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.491634 (E_RNA)
where:
Base-Base interactions energy: -1060.216
where: short stacking energy: -500.886
Base-Backbone interact. energy: -2.813
local terms energy: -590.462913
where:
bonds (distance) C4'-P energy: -117.204
bonds (distance) P-C4' energy: -119.809
flat angles C4'-P-C4' energy: -138.867
flat angles P-C4'-P energy: -99.222
tors. eta vs tors. theta energy: -115.360
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: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1509.650504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.650504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.650504 (E_RNA)
where:
Base-Base interactions energy: -945.084
where: short stacking energy: -463.397
Base-Backbone interact. energy: -3.956
local terms energy: -560.611252
where:
bonds (distance) C4'-P energy: -118.737
bonds (distance) P-C4' energy: -117.190
flat angles C4'-P-C4' energy: -128.801
flat angles P-C4'-P energy: -70.683
tors. eta vs tors. theta energy: -125.200
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: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1165.360425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.360425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.360425 (E_RNA)
where:
Base-Base interactions energy: -697.066
where: short stacking energy: -332.654
Base-Backbone interact. energy: 0.160
local terms energy: -468.454766
where:
bonds (distance) C4'-P energy: -103.152
bonds (distance) P-C4' energy: -140.748
flat angles C4'-P-C4' energy: -106.394
flat angles P-C4'-P energy: -80.715
tors. eta vs tors. theta energy: -37.446
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: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1058.359122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.359122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.359122 (E_RNA)
where:
Base-Base interactions energy: -624.300
where: short stacking energy: -315.328
Base-Backbone interact. energy: -3.580
local terms energy: -430.478724
where:
bonds (distance) C4'-P energy: -84.144
bonds (distance) P-C4' energy: -111.618
flat angles C4'-P-C4' energy: -110.557
flat angles P-C4'-P energy: -76.946
tors. eta vs tors. theta energy: -47.214
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: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -568.765288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.765288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.765288 (E_RNA)
where:
Base-Base interactions energy: -185.159
where: short stacking energy: -152.446
Base-Backbone interact. energy: 3.982
local terms energy: -387.588098
where:
bonds (distance) C4'-P energy: -117.854
bonds (distance) P-C4' energy: -131.214
flat angles C4'-P-C4' energy: -85.946
flat angles P-C4'-P energy: -63.411
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: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2395.291343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.291343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.291343 (E_RNA)
where:
Base-Base interactions energy: -1649.146
where: short stacking energy: -711.201
Base-Backbone interact. energy: -2.854
local terms energy: -743.291622
where:
bonds (distance) C4'-P energy: -140.079
bonds (distance) P-C4' energy: -136.380
flat angles C4'-P-C4' energy: -173.209
flat angles P-C4'-P energy: -102.480
tors. eta vs tors. theta energy: -191.144
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: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2255.445833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.445833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.445833 (E_RNA)
where:
Base-Base interactions energy: -1498.545
where: short stacking energy: -672.312
Base-Backbone interact. energy: -3.733
local terms energy: -753.168267
where:
bonds (distance) C4'-P energy: -143.364
bonds (distance) P-C4' energy: -143.065
flat angles C4'-P-C4' energy: -167.855
flat angles P-C4'-P energy: -112.953
tors. eta vs tors. theta energy: -185.932
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: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2081.337696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.337696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.337696 (E_RNA)
where:
Base-Base interactions energy: -1406.344
where: short stacking energy: -609.449
Base-Backbone interact. energy: -3.252
local terms energy: -671.740911
where:
bonds (distance) C4'-P energy: -125.780
bonds (distance) P-C4' energy: -127.990
flat angles C4'-P-C4' energy: -160.253
flat angles P-C4'-P energy: -90.460
tors. eta vs tors. theta energy: -167.258
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: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2046.971998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.971998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.971998 (E_RNA)
where:
Base-Base interactions energy: -1366.475
where: short stacking energy: -603.411
Base-Backbone interact. energy: -1.916
local terms energy: -678.580937
where:
bonds (distance) C4'-P energy: -140.985
bonds (distance) P-C4' energy: -133.116
flat angles C4'-P-C4' energy: -139.416
flat angles P-C4'-P energy: -105.901
tors. eta vs tors. theta energy: -159.163
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: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1740.359201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.359201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.359201 (E_RNA)
where:
Base-Base interactions energy: -1164.706
where: short stacking energy: -532.088
Base-Backbone interact. energy: -0.257
local terms energy: -575.395504
where:
bonds (distance) C4'-P energy: -115.780
bonds (distance) P-C4' energy: -130.671
flat angles C4'-P-C4' energy: -143.485
flat angles P-C4'-P energy: -74.586
tors. eta vs tors. theta energy: -110.874
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: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1620.224684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.224684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.224684 (E_RNA)
where:
Base-Base interactions energy: -1009.247
where: short stacking energy: -471.147
Base-Backbone interact. energy: 2.176
local terms energy: -613.153581
where:
bonds (distance) C4'-P energy: -137.707
bonds (distance) P-C4' energy: -119.455
flat angles C4'-P-C4' energy: -136.288
flat angles P-C4'-P energy: -94.316
tors. eta vs tors. theta energy: -125.387
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: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1443.318604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.318604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.318604 (E_RNA)
where:
Base-Base interactions energy: -894.656
where: short stacking energy: -423.344
Base-Backbone interact. energy: -0.304
local terms energy: -548.358098
where:
bonds (distance) C4'-P energy: -139.740
bonds (distance) P-C4' energy: -114.155
flat angles C4'-P-C4' energy: -130.197
flat angles P-C4'-P energy: -76.628
tors. eta vs tors. theta energy: -87.638
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: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1216.872961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.872961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.872961 (E_RNA)
where:
Base-Base interactions energy: -718.668
where: short stacking energy: -341.816
Base-Backbone interact. energy: 4.039
local terms energy: -502.243987
where:
bonds (distance) C4'-P energy: -115.070
bonds (distance) P-C4' energy: -119.600
flat angles C4'-P-C4' energy: -128.069
flat angles P-C4'-P energy: -80.269
tors. eta vs tors. theta energy: -59.236
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: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1056.507501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.507501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.507501 (E_RNA)
where:
Base-Base interactions energy: -609.148
where: short stacking energy: -273.984
Base-Backbone interact. energy: 1.968
local terms energy: -449.327302
where:
bonds (distance) C4'-P energy: -117.464
bonds (distance) P-C4' energy: -142.036
flat angles C4'-P-C4' energy: -114.826
flat angles P-C4'-P energy: -46.714
tors. eta vs tors. theta energy: -28.287
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: 63
Temperature: 1.350000
Total energy: -545.122230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.122230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.122230 (E_RNA)
where:
Base-Base interactions energy: -184.786
where: short stacking energy: -158.766
Base-Backbone interact. energy: -0.556
local terms energy: -359.780333
where:
bonds (distance) C4'-P energy: -109.369
bonds (distance) P-C4' energy: -114.447
flat angles C4'-P-C4' energy: -112.167
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: 17.902
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: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2408.905890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.905890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.905890 (E_RNA)
where:
Base-Base interactions energy: -1645.049
where: short stacking energy: -692.006
Base-Backbone interact. energy: -3.258
local terms energy: -760.598870
where:
bonds (distance) C4'-P energy: -150.125
bonds (distance) P-C4' energy: -148.535
flat angles C4'-P-C4' energy: -172.990
flat angles P-C4'-P energy: -103.570
tors. eta vs tors. theta energy: -185.378
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: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2188.052817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.052817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.052817 (E_RNA)
where:
Base-Base interactions energy: -1462.722
where: short stacking energy: -635.279
Base-Backbone interact. energy: -1.790
local terms energy: -723.541034
where:
bonds (distance) C4'-P energy: -144.542
bonds (distance) P-C4' energy: -150.474
flat angles C4'-P-C4' energy: -152.904
flat angles P-C4'-P energy: -98.591
tors. eta vs tors. theta energy: -177.030
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: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2059.849115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.849115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.849115 (E_RNA)
where:
Base-Base interactions energy: -1369.351
where: short stacking energy: -570.131
Base-Backbone interact. energy: -2.132
local terms energy: -688.365944
where:
bonds (distance) C4'-P energy: -141.203
bonds (distance) P-C4' energy: -144.111
flat angles C4'-P-C4' energy: -154.424
flat angles P-C4'-P energy: -87.174
tors. eta vs tors. theta energy: -161.455
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: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2042.442357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.442357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.442357 (E_RNA)
where:
Base-Base interactions energy: -1371.716
where: short stacking energy: -588.775
Base-Backbone interact. energy: -2.091
local terms energy: -668.635685
where:
bonds (distance) C4'-P energy: -151.077
bonds (distance) P-C4' energy: -130.428
flat angles C4'-P-C4' energy: -143.723
flat angles P-C4'-P energy: -96.025
tors. eta vs tors. theta energy: -147.382
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: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1749.183394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.183394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.183394 (E_RNA)
where:
Base-Base interactions energy: -1125.687
where: short stacking energy: -534.306
Base-Backbone interact. energy: 6.326
local terms energy: -629.821674
where:
bonds (distance) C4'-P energy: -137.037
bonds (distance) P-C4' energy: -142.279
flat angles C4'-P-C4' energy: -130.906
flat angles P-C4'-P energy: -77.107
tors. eta vs tors. theta energy: -142.493
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: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1577.069697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.069697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.069697 (E_RNA)
where:
Base-Base interactions energy: -1003.038
where: short stacking energy: -473.427
Base-Backbone interact. energy: -0.323
local terms energy: -573.708986
where:
bonds (distance) C4'-P energy: -123.455
bonds (distance) P-C4' energy: -128.767
flat angles C4'-P-C4' energy: -127.896
flat angles P-C4'-P energy: -99.150
tors. eta vs tors. theta energy: -94.442
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: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1428.924577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.924577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.924577 (E_RNA)
where:
Base-Base interactions energy: -901.549
where: short stacking energy: -428.499
Base-Backbone interact. energy: -2.270
local terms energy: -525.105617
where:
bonds (distance) C4'-P energy: -111.288
bonds (distance) P-C4' energy: -137.742
flat angles C4'-P-C4' energy: -127.254
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: -87.715
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1209.873910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.873910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.873910 (E_RNA)
where:
Base-Base interactions energy: -713.354
where: short stacking energy: -345.049
Base-Backbone interact. energy: 2.100
local terms energy: -498.619586
where:
bonds (distance) C4'-P energy: -118.142
bonds (distance) P-C4' energy: -133.538
flat angles C4'-P-C4' energy: -112.753
flat angles P-C4'-P energy: -61.045
tors. eta vs tors. theta energy: -73.142
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: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1061.195669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.195669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.195669 (E_RNA)
where:
Base-Base interactions energy: -615.557
where: short stacking energy: -301.995
Base-Backbone interact. energy: 2.932
local terms energy: -448.570413
where:
bonds (distance) C4'-P energy: -113.610
bonds (distance) P-C4' energy: -108.611
flat angles C4'-P-C4' energy: -118.991
flat angles P-C4'-P energy: -71.201
tors. eta vs tors. theta energy: -36.156
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: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -544.620903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.620903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.620903 (E_RNA)
where:
Base-Base interactions energy: -208.475
where: short stacking energy: -187.373
Base-Backbone interact. energy: -4.902
local terms energy: -331.244112
where:
bonds (distance) C4'-P energy: -104.306
bonds (distance) P-C4' energy: -134.552
flat angles C4'-P-C4' energy: -89.218
flat angles P-C4'-P energy: -28.949
tors. eta vs tors. theta energy: 25.781
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: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2380.004896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.004896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.004896 (E_RNA)
where:
Base-Base interactions energy: -1625.155
where: short stacking energy: -681.962
Base-Backbone interact. energy: 0.107
local terms energy: -754.956296
where:
bonds (distance) C4'-P energy: -142.763
bonds (distance) P-C4' energy: -144.692
flat angles C4'-P-C4' energy: -172.114
flat angles P-C4'-P energy: -109.509
tors. eta vs tors. theta energy: -185.880
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: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2197.215874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.215874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.215874 (E_RNA)
where:
Base-Base interactions energy: -1488.885
where: short stacking energy: -655.830
Base-Backbone interact. energy: -1.461
local terms energy: -706.869569
where:
bonds (distance) C4'-P energy: -127.361
bonds (distance) P-C4' energy: -152.606
flat angles C4'-P-C4' energy: -154.894
flat angles P-C4'-P energy: -101.331
tors. eta vs tors. theta energy: -170.677
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: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2062.715914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.715914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.715914 (E_RNA)
where:
Base-Base interactions energy: -1377.552
where: short stacking energy: -587.203
Base-Backbone interact. energy: -2.288
local terms energy: -682.875752
where:
bonds (distance) C4'-P energy: -138.924
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -147.125
flat angles P-C4'-P energy: -97.005
tors. eta vs tors. theta energy: -164.826
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: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2027.421012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.421012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.421012 (E_RNA)
where:
Base-Base interactions energy: -1385.971
where: short stacking energy: -592.163
Base-Backbone interact. energy: 0.701
local terms energy: -642.150825
where:
bonds (distance) C4'-P energy: -121.885
bonds (distance) P-C4' energy: -135.446
flat angles C4'-P-C4' energy: -147.571
flat angles P-C4'-P energy: -87.434
tors. eta vs tors. theta energy: -149.814
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: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1790.032534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.032534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.032534 (E_RNA)
where:
Base-Base interactions energy: -1135.241
where: short stacking energy: -509.590
Base-Backbone interact. energy: -1.179
local terms energy: -653.613124
where:
bonds (distance) C4'-P energy: -147.194
bonds (distance) P-C4' energy: -149.903
flat angles C4'-P-C4' energy: -143.041
flat angles P-C4'-P energy: -82.314
tors. eta vs tors. theta energy: -131.160
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: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1550.861963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.861963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.861963 (E_RNA)
where:
Base-Base interactions energy: -976.334
where: short stacking energy: -459.112
Base-Backbone interact. energy: -2.414
local terms energy: -572.114657
where:
bonds (distance) C4'-P energy: -122.177
bonds (distance) P-C4' energy: -137.200
flat angles C4'-P-C4' energy: -139.336
flat angles P-C4'-P energy: -77.876
tors. eta vs tors. theta energy: -95.525
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: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1478.076521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.076521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.076521 (E_RNA)
where:
Base-Base interactions energy: -951.183
where: short stacking energy: -444.394
Base-Backbone interact. energy: 0.099
local terms energy: -526.992317
where:
bonds (distance) C4'-P energy: -117.282
bonds (distance) P-C4' energy: -126.642
flat angles C4'-P-C4' energy: -127.769
flat angles P-C4'-P energy: -73.263
tors. eta vs tors. theta energy: -82.036
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: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1276.641902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.641902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.641902 (E_RNA)
where:
Base-Base interactions energy: -780.992
where: short stacking energy: -392.594
Base-Backbone interact. energy: 0.493
local terms energy: -496.142225
where:
bonds (distance) C4'-P energy: -112.282
bonds (distance) P-C4' energy: -111.248
flat angles C4'-P-C4' energy: -130.908
flat angles P-C4'-P energy: -56.082
tors. eta vs tors. theta energy: -85.621
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1044.097063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.097063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.097063 (E_RNA)
where:
Base-Base interactions energy: -599.722
where: short stacking energy: -297.504
Base-Backbone interact. energy: 6.200
local terms energy: -450.574890
where:
bonds (distance) C4'-P energy: -115.100
bonds (distance) P-C4' energy: -119.003
flat angles C4'-P-C4' energy: -121.456
flat angles P-C4'-P energy: -70.385
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: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -575.155558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.155558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.155558 (E_RNA)
where:
Base-Base interactions energy: -207.068
where: short stacking energy: -136.048
Base-Backbone interact. energy: -0.624
local terms energy: -367.462770
where:
bonds (distance) C4'-P energy: -116.318
bonds (distance) P-C4' energy: -117.502
flat angles C4'-P-C4' energy: -100.802
flat angles P-C4'-P energy: -57.099
tors. eta vs tors. theta energy: 24.258
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: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2368.954264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.954264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.954264 (E_RNA)
where:
Base-Base interactions energy: -1615.087
where: short stacking energy: -696.861
Base-Backbone interact. energy: -3.025
local terms energy: -750.842241
where:
bonds (distance) C4'-P energy: -132.658
bonds (distance) P-C4' energy: -146.407
flat angles C4'-P-C4' energy: -151.583
flat angles P-C4'-P energy: -127.000
tors. eta vs tors. theta energy: -193.194
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: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2204.291981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.291981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.291981 (E_RNA)
where:
Base-Base interactions energy: -1491.603
where: short stacking energy: -643.808
Base-Backbone interact. energy: -4.677
local terms energy: -708.011976
where:
bonds (distance) C4'-P energy: -132.296
bonds (distance) P-C4' energy: -138.047
flat angles C4'-P-C4' energy: -162.054
flat angles P-C4'-P energy: -111.128
tors. eta vs tors. theta energy: -164.488
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: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2093.460259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.460259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.460259 (E_RNA)
where:
Base-Base interactions energy: -1428.136
where: short stacking energy: -588.393
Base-Backbone interact. energy: -3.234
local terms energy: -662.090818
where:
bonds (distance) C4'-P energy: -149.643
bonds (distance) P-C4' energy: -130.240
flat angles C4'-P-C4' energy: -143.293
flat angles P-C4'-P energy: -84.403
tors. eta vs tors. theta energy: -154.512
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: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2114.766145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.766145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.766145 (E_RNA)
where:
Base-Base interactions energy: -1447.757
where: short stacking energy: -625.507
Base-Backbone interact. energy: 3.352
local terms energy: -670.361363
where:
bonds (distance) C4'-P energy: -127.207
bonds (distance) P-C4' energy: -150.996
flat angles C4'-P-C4' energy: -139.820
flat angles P-C4'-P energy: -83.604
tors. eta vs tors. theta energy: -168.735
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: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1797.130542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.130542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.130542 (E_RNA)
where:
Base-Base interactions energy: -1160.802
where: short stacking energy: -541.783
Base-Backbone interact. energy: -1.203
local terms energy: -635.125445
where:
bonds (distance) C4'-P energy: -121.264
bonds (distance) P-C4' energy: -132.410
flat angles C4'-P-C4' energy: -145.868
flat angles P-C4'-P energy: -94.978
tors. eta vs tors. theta energy: -140.605
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: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1623.245466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.245466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.245466 (E_RNA)
where:
Base-Base interactions energy: -1046.106
where: short stacking energy: -492.171
Base-Backbone interact. energy: 2.504
local terms energy: -579.643895
where:
bonds (distance) C4'-P energy: -116.678
bonds (distance) P-C4' energy: -121.961
flat angles C4'-P-C4' energy: -138.873
flat angles P-C4'-P energy: -80.430
tors. eta vs tors. theta energy: -121.702
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: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1459.948104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.948104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.948104 (E_RNA)
where:
Base-Base interactions energy: -909.832
where: short stacking energy: -422.123
Base-Backbone interact. energy: -3.687
local terms energy: -546.428783
where:
bonds (distance) C4'-P energy: -123.071
bonds (distance) P-C4' energy: -141.188
flat angles C4'-P-C4' energy: -130.907
flat angles P-C4'-P energy: -72.274
tors. eta vs tors. theta energy: -78.988
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: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1233.427943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.427943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.427943 (E_RNA)
where:
Base-Base interactions energy: -762.693
where: short stacking energy: -368.425
Base-Backbone interact. energy: 2.100
local terms energy: -472.835063
where:
bonds (distance) C4'-P energy: -117.438
bonds (distance) P-C4' energy: -126.608
flat angles C4'-P-C4' energy: -115.289
flat angles P-C4'-P energy: -58.895
tors. eta vs tors. theta energy: -54.605
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: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -958.635016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.635016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.635016 (E_RNA)
where:
Base-Base interactions energy: -492.746
where: short stacking energy: -251.360
Base-Backbone interact. energy: 2.847
local terms energy: -468.736044
where:
bonds (distance) C4'-P energy: -126.047
bonds (distance) P-C4' energy: -130.724
flat angles C4'-P-C4' energy: -134.044
flat angles P-C4'-P energy: -50.970
tors. eta vs tors. theta energy: -26.951
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: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -643.238490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.238490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.238490 (E_RNA)
where:
Base-Base interactions energy: -283.739
where: short stacking energy: -173.651
Base-Backbone interact. energy: -3.238
local terms energy: -356.261791
where:
bonds (distance) C4'-P energy: -108.012
bonds (distance) P-C4' energy: -116.263
flat angles C4'-P-C4' energy: -85.948
flat angles P-C4'-P energy: -57.361
tors. eta vs tors. theta energy: 11.322
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: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2369.634360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.634360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.634360 (E_RNA)
where:
Base-Base interactions energy: -1617.756
where: short stacking energy: -696.325
Base-Backbone interact. energy: -4.910
local terms energy: -746.968386
where:
bonds (distance) C4'-P energy: -141.007
bonds (distance) P-C4' energy: -149.398
flat angles C4'-P-C4' energy: -172.615
flat angles P-C4'-P energy: -101.252
tors. eta vs tors. theta energy: -182.697
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: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2239.850890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.850890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.850890 (E_RNA)
where:
Base-Base interactions energy: -1522.761
where: short stacking energy: -635.575
Base-Backbone interact. energy: -4.443
local terms energy: -712.646681
where:
bonds (distance) C4'-P energy: -133.201
bonds (distance) P-C4' energy: -145.388
flat angles C4'-P-C4' energy: -164.568
flat angles P-C4'-P energy: -103.489
tors. eta vs tors. theta energy: -166.000
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: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2070.790855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.790855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.790855 (E_RNA)
where:
Base-Base interactions energy: -1406.298
where: short stacking energy: -599.497
Base-Backbone interact. energy: 2.328
local terms energy: -666.821467
where:
bonds (distance) C4'-P energy: -135.703
bonds (distance) P-C4' energy: -130.952
flat angles C4'-P-C4' energy: -158.233
flat angles P-C4'-P energy: -92.591
tors. eta vs tors. theta energy: -149.342
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: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2079.886010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.886010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.886010 (E_RNA)
where:
Base-Base interactions energy: -1394.069
where: short stacking energy: -597.856
Base-Backbone interact. energy: -0.078
local terms energy: -685.738764
where:
bonds (distance) C4'-P energy: -122.870
bonds (distance) P-C4' energy: -146.251
flat angles C4'-P-C4' energy: -157.582
flat angles P-C4'-P energy: -91.790
tors. eta vs tors. theta energy: -167.246
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: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1775.021267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.021267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.021267 (E_RNA)
where:
Base-Base interactions energy: -1165.966
where: short stacking energy: -540.812
Base-Backbone interact. energy: -2.535
local terms energy: -606.520600
where:
bonds (distance) C4'-P energy: -129.797
bonds (distance) P-C4' energy: -141.278
flat angles C4'-P-C4' energy: -133.864
flat angles P-C4'-P energy: -72.126
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: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1592.132448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.132448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.132448 (E_RNA)
where:
Base-Base interactions energy: -1011.139
where: short stacking energy: -462.417
Base-Backbone interact. energy: 4.293
local terms energy: -585.285853
where:
bonds (distance) C4'-P energy: -130.949
bonds (distance) P-C4' energy: -123.605
flat angles C4'-P-C4' energy: -138.348
flat angles P-C4'-P energy: -80.342
tors. eta vs tors. theta energy: -112.042
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: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1509.093241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.093241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.093241 (E_RNA)
where:
Base-Base interactions energy: -954.568
where: short stacking energy: -447.784
Base-Backbone interact. energy: -0.453
local terms energy: -554.071522
where:
bonds (distance) C4'-P energy: -136.036
bonds (distance) P-C4' energy: -121.721
flat angles C4'-P-C4' energy: -132.678
flat angles P-C4'-P energy: -74.349
tors. eta vs tors. theta energy: -89.287
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: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1232.625137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.625137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.625137 (E_RNA)
where:
Base-Base interactions energy: -755.262
where: short stacking energy: -340.810
Base-Backbone interact. energy: -1.947
local terms energy: -475.416529
where:
bonds (distance) C4'-P energy: -100.272
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -128.952
flat angles P-C4'-P energy: -70.920
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: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -996.911131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.911131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.911131 (E_RNA)
where:
Base-Base interactions energy: -515.351
where: short stacking energy: -280.250
Base-Backbone interact. energy: 4.385
local terms energy: -485.944287
where:
bonds (distance) C4'-P energy: -140.014
bonds (distance) P-C4' energy: -113.793
flat angles C4'-P-C4' energy: -123.302
flat angles P-C4'-P energy: -90.878
tors. eta vs tors. theta energy: -17.957
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: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -604.250727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.250727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.250727 (E_RNA)
where:
Base-Base interactions energy: -275.847
where: short stacking energy: -177.099
Base-Backbone interact. energy: 3.901
local terms energy: -332.304900
where:
bonds (distance) C4'-P energy: -96.312
bonds (distance) P-C4' energy: -119.432
flat angles C4'-P-C4' energy: -86.974
flat angles P-C4'-P energy: -63.545
tors. eta vs tors. theta energy: 33.958
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: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2405.956871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.956871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.956871 (E_RNA)
where:
Base-Base interactions energy: -1669.191
where: short stacking energy: -700.206
Base-Backbone interact. energy: -6.847
local terms energy: -729.919086
where:
bonds (distance) C4'-P energy: -150.953
bonds (distance) P-C4' energy: -133.030
flat angles C4'-P-C4' energy: -155.371
flat angles P-C4'-P energy: -103.122
tors. eta vs tors. theta energy: -187.442
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: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2252.584368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.584368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.584368 (E_RNA)
where:
Base-Base interactions energy: -1547.738
where: short stacking energy: -661.390
Base-Backbone interact. energy: -3.893
local terms energy: -700.953029
where:
bonds (distance) C4'-P energy: -138.158
bonds (distance) P-C4' energy: -139.497
flat angles C4'-P-C4' energy: -156.401
flat angles P-C4'-P energy: -92.526
tors. eta vs tors. theta energy: -174.371
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: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2173.424380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.424380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.424380 (E_RNA)
where:
Base-Base interactions energy: -1490.273
where: short stacking energy: -630.275
Base-Backbone interact. energy: -3.231
local terms energy: -679.920904
where:
bonds (distance) C4'-P energy: -124.214
bonds (distance) P-C4' energy: -122.264
flat angles C4'-P-C4' energy: -159.834
flat angles P-C4'-P energy: -92.926
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1991.283161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.283161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.283161 (E_RNA)
where:
Base-Base interactions energy: -1333.501
where: short stacking energy: -608.243
Base-Backbone interact. energy: -2.888
local terms energy: -654.894523
where:
bonds (distance) C4'-P energy: -102.379
bonds (distance) P-C4' energy: -143.605
flat angles C4'-P-C4' energy: -150.266
flat angles P-C4'-P energy: -96.456
tors. eta vs tors. theta energy: -162.189
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: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1768.136348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.136348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.136348 (E_RNA)
where:
Base-Base interactions energy: -1160.593
where: short stacking energy: -547.223
Base-Backbone interact. energy: -0.900
local terms energy: -606.643090
where:
bonds (distance) C4'-P energy: -134.551
bonds (distance) P-C4' energy: -125.953
flat angles C4'-P-C4' energy: -138.183
flat angles P-C4'-P energy: -82.054
tors. eta vs tors. theta energy: -125.902
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: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1622.549789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.549789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.549789 (E_RNA)
where:
Base-Base interactions energy: -1016.209
where: short stacking energy: -480.742
Base-Backbone interact. energy: -3.022
local terms energy: -603.319181
where:
bonds (distance) C4'-P energy: -132.904
bonds (distance) P-C4' energy: -118.710
flat angles C4'-P-C4' energy: -137.484
flat angles P-C4'-P energy: -93.735
tors. eta vs tors. theta energy: -120.486
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: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1489.389168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.389168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.389168 (E_RNA)
where:
Base-Base interactions energy: -932.405
where: short stacking energy: -420.658
Base-Backbone interact. energy: 3.535
local terms energy: -560.518565
where:
bonds (distance) C4'-P energy: -111.769
bonds (distance) P-C4' energy: -137.257
flat angles C4'-P-C4' energy: -133.093
flat angles P-C4'-P energy: -81.721
tors. eta vs tors. theta energy: -96.679
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: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1341.944450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.944450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.944450 (E_RNA)
where:
Base-Base interactions energy: -836.524
where: short stacking energy: -381.160
Base-Backbone interact. energy: -1.181
local terms energy: -504.238734
where:
bonds (distance) C4'-P energy: -107.699
bonds (distance) P-C4' energy: -122.132
flat angles C4'-P-C4' energy: -126.501
flat angles P-C4'-P energy: -79.427
tors. eta vs tors. theta energy: -68.479
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: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -940.040543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.040543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.040543 (E_RNA)
where:
Base-Base interactions energy: -489.982
where: short stacking energy: -257.392
Base-Backbone interact. energy: -2.888
local terms energy: -447.171227
where:
bonds (distance) C4'-P energy: -119.387
bonds (distance) P-C4' energy: -129.945
flat angles C4'-P-C4' energy: -119.471
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: -18.019
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: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -716.105368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.105368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.105368 (E_RNA)
where:
Base-Base interactions energy: -336.498
where: short stacking energy: -206.020
Base-Backbone interact. energy: 1.717
local terms energy: -381.324482
where:
bonds (distance) C4'-P energy: -120.341
bonds (distance) P-C4' energy: -122.755
flat angles C4'-P-C4' energy: -87.414
flat angles P-C4'-P energy: -69.281
tors. eta vs tors. theta energy: 18.467
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: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2384.783083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.783083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.783083 (E_RNA)
where:
Base-Base interactions energy: -1638.565
where: short stacking energy: -724.105
Base-Backbone interact. energy: -4.518
local terms energy: -741.700758
where:
bonds (distance) C4'-P energy: -145.694
bonds (distance) P-C4' energy: -133.917
flat angles C4'-P-C4' energy: -156.140
flat angles P-C4'-P energy: -102.977
tors. eta vs tors. theta energy: -202.974
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: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2228.988748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.988748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.988748 (E_RNA)
where:
Base-Base interactions energy: -1518.839
where: short stacking energy: -641.520
Base-Backbone interact. energy: -4.006
local terms energy: -706.144223
where:
bonds (distance) C4'-P energy: -133.348
bonds (distance) P-C4' energy: -136.507
flat angles C4'-P-C4' energy: -164.254
flat angles P-C4'-P energy: -103.763
tors. eta vs tors. theta energy: -168.272
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: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2220.743371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.743371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.743371 (E_RNA)
where:
Base-Base interactions energy: -1494.473
where: short stacking energy: -666.158
Base-Backbone interact. energy: -2.493
local terms energy: -723.776985
where:
bonds (distance) C4'-P energy: -136.586
bonds (distance) P-C4' energy: -140.620
flat angles C4'-P-C4' energy: -153.327
flat angles P-C4'-P energy: -98.221
tors. eta vs tors. theta energy: -195.022
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: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1894.018384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.018384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.018384 (E_RNA)
where:
Base-Base interactions energy: -1240.101
where: short stacking energy: -538.768
Base-Backbone interact. energy: -4.324
local terms energy: -649.593852
where:
bonds (distance) C4'-P energy: -125.224
bonds (distance) P-C4' energy: -134.018
flat angles C4'-P-C4' energy: -148.082
flat angles P-C4'-P energy: -108.470
tors. eta vs tors. theta energy: -133.800
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: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1763.578145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.578145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.578145 (E_RNA)
where:
Base-Base interactions energy: -1111.986
where: short stacking energy: -518.918
Base-Backbone interact. energy: -1.152
local terms energy: -650.440171
where:
bonds (distance) C4'-P energy: -135.906
bonds (distance) P-C4' energy: -147.873
flat angles C4'-P-C4' energy: -142.186
flat angles P-C4'-P energy: -90.975
tors. eta vs tors. theta energy: -133.500
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: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1714.718845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.718845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.718845 (E_RNA)
where:
Base-Base interactions energy: -1089.410
where: short stacking energy: -509.375
Base-Backbone interact. energy: -1.358
local terms energy: -623.950793
where:
bonds (distance) C4'-P energy: -120.658
bonds (distance) P-C4' energy: -139.486
flat angles C4'-P-C4' energy: -145.134
flat angles P-C4'-P energy: -83.340
tors. eta vs tors. theta energy: -135.333
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: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1551.472638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.472638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.472638 (E_RNA)
where:
Base-Base interactions energy: -991.169
where: short stacking energy: -432.992
Base-Backbone interact. energy: -1.172
local terms energy: -559.131278
where:
bonds (distance) C4'-P energy: -134.786
bonds (distance) P-C4' energy: -127.498
flat angles C4'-P-C4' energy: -123.431
flat angles P-C4'-P energy: -83.746
tors. eta vs tors. theta energy: -89.670
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: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1337.458543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.458543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.458543 (E_RNA)
where:
Base-Base interactions energy: -821.841
where: short stacking energy: -382.439
Base-Backbone interact. energy: -0.076
local terms energy: -515.541215
where:
bonds (distance) C4'-P energy: -110.373
bonds (distance) P-C4' energy: -110.676
flat angles C4'-P-C4' energy: -117.282
flat angles P-C4'-P energy: -89.639
tors. eta vs tors. theta energy: -87.572
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: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -929.573581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.573581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.573581 (E_RNA)
where:
Base-Base interactions energy: -515.310
where: short stacking energy: -263.741
Base-Backbone interact. energy: 3.245
local terms energy: -417.507738
where:
bonds (distance) C4'-P energy: -131.228
bonds (distance) P-C4' energy: -112.816
flat angles C4'-P-C4' energy: -104.597
flat angles P-C4'-P energy: -67.287
tors. eta vs tors. theta energy: -1.580
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: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -699.959688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.959688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.959688 (E_RNA)
where:
Base-Base interactions energy: -341.321
where: short stacking energy: -210.494
Base-Backbone interact. energy: 7.257
local terms energy: -365.895849
where:
bonds (distance) C4'-P energy: -102.248
bonds (distance) P-C4' energy: -130.993
flat angles C4'-P-C4' energy: -86.526
flat angles P-C4'-P energy: -62.378
tors. eta vs tors. theta energy: 16.250
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: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2410.213382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.213382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.213382 (E_RNA)
where:
Base-Base interactions energy: -1630.343
where: short stacking energy: -709.253
Base-Backbone interact. energy: -4.121
local terms energy: -775.749475
where:
bonds (distance) C4'-P energy: -161.801
bonds (distance) P-C4' energy: -140.283
flat angles C4'-P-C4' energy: -155.169
flat angles P-C4'-P energy: -112.195
tors. eta vs tors. theta energy: -206.302
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: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2235.417343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.417343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.417343 (E_RNA)
where:
Base-Base interactions energy: -1495.926
where: short stacking energy: -653.689
Base-Backbone interact. energy: -1.233
local terms energy: -738.257940
where:
bonds (distance) C4'-P energy: -139.224
bonds (distance) P-C4' energy: -151.977
flat angles C4'-P-C4' energy: -166.362
flat angles P-C4'-P energy: -107.058
tors. eta vs tors. theta energy: -173.637
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: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2225.973868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.973868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.973868 (E_RNA)
where:
Base-Base interactions energy: -1497.157
where: short stacking energy: -671.212
Base-Backbone interact. energy: -3.076
local terms energy: -725.740868
where:
bonds (distance) C4'-P energy: -134.407
bonds (distance) P-C4' energy: -129.246
flat angles C4'-P-C4' energy: -162.870
flat angles P-C4'-P energy: -104.640
tors. eta vs tors. theta energy: -194.578
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: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1975.552097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.552097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.552097 (E_RNA)
where:
Base-Base interactions energy: -1322.488
where: short stacking energy: -560.505
Base-Backbone interact. energy: -2.536
local terms energy: -650.527979
where:
bonds (distance) C4'-P energy: -134.095
bonds (distance) P-C4' energy: -135.651
flat angles C4'-P-C4' energy: -138.870
flat angles P-C4'-P energy: -92.926
tors. eta vs tors. theta energy: -148.986
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: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1824.639872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.639872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.639872 (E_RNA)
where:
Base-Base interactions energy: -1174.031
where: short stacking energy: -537.051
Base-Backbone interact. energy: 1.846
local terms energy: -652.455197
where:
bonds (distance) C4'-P energy: -141.802
bonds (distance) P-C4' energy: -136.791
flat angles C4'-P-C4' energy: -148.544
flat angles P-C4'-P energy: -91.767
tors. eta vs tors. theta energy: -133.551
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: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1610.348724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.348724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.348724 (E_RNA)
where:
Base-Base interactions energy: -999.678
where: short stacking energy: -490.754
Base-Backbone interact. energy: -0.714
local terms energy: -609.956847
where:
bonds (distance) C4'-P energy: -133.881
bonds (distance) P-C4' energy: -130.827
flat angles C4'-P-C4' energy: -143.112
flat angles P-C4'-P energy: -87.055
tors. eta vs tors. theta energy: -115.081
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: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1585.929944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.929944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.929944 (E_RNA)
where:
Base-Base interactions energy: -1038.857
where: short stacking energy: -474.449
Base-Backbone interact. energy: 3.098
local terms energy: -550.170687
where:
bonds (distance) C4'-P energy: -121.157
bonds (distance) P-C4' energy: -136.328
flat angles C4'-P-C4' energy: -120.612
flat angles P-C4'-P energy: -71.758
tors. eta vs tors. theta energy: -100.316
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: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1304.284698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.284698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.284698 (E_RNA)
where:
Base-Base interactions energy: -790.480
where: short stacking energy: -367.119
Base-Backbone interact. energy: -1.597
local terms energy: -512.208373
where:
bonds (distance) C4'-P energy: -121.149
bonds (distance) P-C4' energy: -123.623
flat angles C4'-P-C4' energy: -124.663
flat angles P-C4'-P energy: -67.774
tors. eta vs tors. theta energy: -75.001
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: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -960.725685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.725685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.725685 (E_RNA)
where:
Base-Base interactions energy: -519.763
where: short stacking energy: -272.337
Base-Backbone interact. energy: -1.796
local terms energy: -439.166306
where:
bonds (distance) C4'-P energy: -106.725
bonds (distance) P-C4' energy: -126.273
flat angles C4'-P-C4' energy: -123.081
flat angles P-C4'-P energy: -66.439
tors. eta vs tors. theta energy: -16.648
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: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -661.850981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.850981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.850981 (E_RNA)
where:
Base-Base interactions energy: -321.495
where: short stacking energy: -169.257
Base-Backbone interact. energy: 1.934
local terms energy: -342.290053
where:
bonds (distance) C4'-P energy: -119.112
bonds (distance) P-C4' energy: -128.455
flat angles C4'-P-C4' energy: -61.411
flat angles P-C4'-P energy: -55.298
tors. eta vs tors. theta energy: 21.986
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: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2369.770716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.770716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.770716 (E_RNA)
where:
Base-Base interactions energy: -1636.911
where: short stacking energy: -689.567
Base-Backbone interact. energy: -4.171
local terms energy: -728.688724
where:
bonds (distance) C4'-P energy: -125.121
bonds (distance) P-C4' energy: -147.527
flat angles C4'-P-C4' energy: -161.788
flat angles P-C4'-P energy: -107.320
tors. eta vs tors. theta energy: -186.933
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: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2302.516175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.516175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.516175 (E_RNA)
where:
Base-Base interactions energy: -1554.230
where: short stacking energy: -679.036
Base-Backbone interact. energy: -2.379
local terms energy: -745.907132
where:
bonds (distance) C4'-P energy: -137.957
bonds (distance) P-C4' energy: -152.931
flat angles C4'-P-C4' energy: -166.122
flat angles P-C4'-P energy: -97.587
tors. eta vs tors. theta energy: -191.310
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: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2155.837330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.837330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.837330 (E_RNA)
where:
Base-Base interactions energy: -1451.642
where: short stacking energy: -627.879
Base-Backbone interact. energy: -4.303
local terms energy: -699.891874
where:
bonds (distance) C4'-P energy: -132.948
bonds (distance) P-C4' energy: -143.925
flat angles C4'-P-C4' energy: -154.678
flat angles P-C4'-P energy: -95.150
tors. eta vs tors. theta energy: -173.190
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: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1983.146359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.146359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.146359 (E_RNA)
where:
Base-Base interactions energy: -1303.461
where: short stacking energy: -555.652
Base-Backbone interact. energy: -3.957
local terms energy: -675.728027
where:
bonds (distance) C4'-P energy: -139.751
bonds (distance) P-C4' energy: -145.492
flat angles C4'-P-C4' energy: -140.918
flat angles P-C4'-P energy: -88.199
tors. eta vs tors. theta energy: -161.367
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: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1842.471630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.471630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.471630 (E_RNA)
where:
Base-Base interactions energy: -1204.263
where: short stacking energy: -580.718
Base-Backbone interact. energy: -2.948
local terms energy: -635.260890
where:
bonds (distance) C4'-P energy: -113.676
bonds (distance) P-C4' energy: -142.261
flat angles C4'-P-C4' energy: -148.640
flat angles P-C4'-P energy: -91.729
tors. eta vs tors. theta energy: -138.955
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: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1597.955395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.955395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.955395 (E_RNA)
where:
Base-Base interactions energy: -1005.791
where: short stacking energy: -471.440
Base-Backbone interact. energy: -1.404
local terms energy: -590.760634
where:
bonds (distance) C4'-P energy: -128.198
bonds (distance) P-C4' energy: -127.956
flat angles C4'-P-C4' energy: -138.490
flat angles P-C4'-P energy: -84.979
tors. eta vs tors. theta energy: -111.138
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: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1588.455773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.455773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.455773 (E_RNA)
where:
Base-Base interactions energy: -1048.027
where: short stacking energy: -475.873
Base-Backbone interact. energy: 1.601
local terms energy: -542.029572
where:
bonds (distance) C4'-P energy: -119.925
bonds (distance) P-C4' energy: -114.048
flat angles C4'-P-C4' energy: -118.671
flat angles P-C4'-P energy: -96.050
tors. eta vs tors. theta energy: -93.335
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: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1378.741221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.741221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.741221 (E_RNA)
where:
Base-Base interactions energy: -881.815
where: short stacking energy: -381.362
Base-Backbone interact. energy: -2.441
local terms energy: -494.485033
where:
bonds (distance) C4'-P energy: -101.481
bonds (distance) P-C4' energy: -147.020
flat angles C4'-P-C4' energy: -133.819
flat angles P-C4'-P energy: -55.937
tors. eta vs tors. theta energy: -56.228
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: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -935.423413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.423413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.423413 (E_RNA)
where:
Base-Base interactions energy: -521.790
where: short stacking energy: -279.701
Base-Backbone interact. energy: 6.946
local terms energy: -420.578972
where:
bonds (distance) C4'-P energy: -104.078
bonds (distance) P-C4' energy: -116.755
flat angles C4'-P-C4' energy: -119.655
flat angles P-C4'-P energy: -61.734
tors. eta vs tors. theta energy: -18.356
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: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -693.099517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.099517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.099517 (E_RNA)
where:
Base-Base interactions energy: -332.247
where: short stacking energy: -215.380
Base-Backbone interact. energy: 1.433
local terms energy: -362.285225
where:
bonds (distance) C4'-P energy: -102.125
bonds (distance) P-C4' energy: -116.806
flat angles C4'-P-C4' energy: -100.832
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: 11.757
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: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2346.134941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.134941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.134941 (E_RNA)
where:
Base-Base interactions energy: -1583.373
where: short stacking energy: -688.642
Base-Backbone interact. energy: -5.686
local terms energy: -757.075543
where:
bonds (distance) C4'-P energy: -129.436
bonds (distance) P-C4' energy: -156.058
flat angles C4'-P-C4' energy: -168.882
flat angles P-C4'-P energy: -108.844
tors. eta vs tors. theta energy: -193.856
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: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2324.989463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.989463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.989463 (E_RNA)
where:
Base-Base interactions energy: -1576.538
where: short stacking energy: -692.170
Base-Backbone interact. energy: -2.670
local terms energy: -745.780826
where:
bonds (distance) C4'-P energy: -146.076
bonds (distance) P-C4' energy: -145.763
flat angles C4'-P-C4' energy: -154.743
flat angles P-C4'-P energy: -106.237
tors. eta vs tors. theta energy: -192.962
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2178.323691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.323691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.323691 (E_RNA)
where:
Base-Base interactions energy: -1481.346
where: short stacking energy: -611.133
Base-Backbone interact. energy: -5.027
local terms energy: -691.951550
where:
bonds (distance) C4'-P energy: -135.088
bonds (distance) P-C4' energy: -150.644
flat angles C4'-P-C4' energy: -155.425
flat angles P-C4'-P energy: -92.889
tors. eta vs tors. theta energy: -157.905
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: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1950.914375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.914375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.914375 (E_RNA)
where:
Base-Base interactions energy: -1309.115
where: short stacking energy: -571.308
Base-Backbone interact. energy: 0.691
local terms energy: -642.490271
where:
bonds (distance) C4'-P energy: -123.180
bonds (distance) P-C4' energy: -141.494
flat angles C4'-P-C4' energy: -138.671
flat angles P-C4'-P energy: -91.912
tors. eta vs tors. theta energy: -147.233
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1819.216349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.216349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.216349 (E_RNA)
where:
Base-Base interactions energy: -1158.844
where: short stacking energy: -544.968
Base-Backbone interact. energy: -0.786
local terms energy: -659.586499
where:
bonds (distance) C4'-P energy: -133.801
bonds (distance) P-C4' energy: -135.052
flat angles C4'-P-C4' energy: -152.126
flat angles P-C4'-P energy: -83.978
tors. eta vs tors. theta energy: -154.630
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: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1576.144327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.144327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.144327 (E_RNA)
where:
Base-Base interactions energy: -990.559
where: short stacking energy: -458.867
Base-Backbone interact. energy: -2.945
local terms energy: -582.639865
where:
bonds (distance) C4'-P energy: -137.252
bonds (distance) P-C4' energy: -121.898
flat angles C4'-P-C4' energy: -128.993
flat angles P-C4'-P energy: -85.180
tors. eta vs tors. theta energy: -109.316
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: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1604.954456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.954456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.954456 (E_RNA)
where:
Base-Base interactions energy: -1059.019
where: short stacking energy: -473.076
Base-Backbone interact. energy: -1.809
local terms energy: -544.126050
where:
bonds (distance) C4'-P energy: -129.792
bonds (distance) P-C4' energy: -124.645
flat angles C4'-P-C4' energy: -130.810
flat angles P-C4'-P energy: -71.875
tors. eta vs tors. theta energy: -87.006
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: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1381.732939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.732939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.732939 (E_RNA)
where:
Base-Base interactions energy: -885.899
where: short stacking energy: -388.539
Base-Backbone interact. energy: -0.474
local terms energy: -495.359911
where:
bonds (distance) C4'-P energy: -110.008
bonds (distance) P-C4' energy: -125.384
flat angles C4'-P-C4' energy: -104.615
flat angles P-C4'-P energy: -86.810
tors. eta vs tors. theta energy: -68.543
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: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -857.370682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.370682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.370682 (E_RNA)
where:
Base-Base interactions energy: -455.550
where: short stacking energy: -244.299
Base-Backbone interact. energy: -2.884
local terms energy: -398.936057
where:
bonds (distance) C4'-P energy: -115.532
bonds (distance) P-C4' energy: -117.200
flat angles C4'-P-C4' energy: -92.470
flat angles P-C4'-P energy: -68.381
tors. eta vs tors. theta energy: -5.353
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: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -649.812090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.812090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.812090 (E_RNA)
where:
Base-Base interactions energy: -268.135
where: short stacking energy: -176.777
Base-Backbone interact. energy: -0.598
local terms energy: -381.078267
where:
bonds (distance) C4'-P energy: -112.221
bonds (distance) P-C4' energy: -121.524
flat angles C4'-P-C4' energy: -103.653
flat angles P-C4'-P energy: -80.153
tors. eta vs tors. theta energy: 36.472
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: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2363.151500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.151500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.151500 (E_RNA)
where:
Base-Base interactions energy: -1618.043
where: short stacking energy: -694.168
Base-Backbone interact. energy: -1.512
local terms energy: -743.596925
where:
bonds (distance) C4'-P energy: -143.262
bonds (distance) P-C4' energy: -134.934
flat angles C4'-P-C4' energy: -170.549
flat angles P-C4'-P energy: -104.826
tors. eta vs tors. theta energy: -190.026
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: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2323.554571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.554571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.554571 (E_RNA)
where:
Base-Base interactions energy: -1587.961
where: short stacking energy: -700.807
Base-Backbone interact. energy: 0.375
local terms energy: -735.968694
where:
bonds (distance) C4'-P energy: -141.730
bonds (distance) P-C4' energy: -137.507
flat angles C4'-P-C4' energy: -166.384
flat angles P-C4'-P energy: -97.956
tors. eta vs tors. theta energy: -192.392
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: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2153.471121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.471121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.471121 (E_RNA)
where:
Base-Base interactions energy: -1488.947
where: short stacking energy: -625.676
Base-Backbone interact. energy: -2.779
local terms energy: -661.744986
where:
bonds (distance) C4'-P energy: -123.064
bonds (distance) P-C4' energy: -126.432
flat angles C4'-P-C4' energy: -145.751
flat angles P-C4'-P energy: -97.007
tors. eta vs tors. theta energy: -169.492
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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1904.017911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.017911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.017911 (E_RNA)
where:
Base-Base interactions energy: -1245.047
where: short stacking energy: -579.531
Base-Backbone interact. energy: -0.866
local terms energy: -658.104629
where:
bonds (distance) C4'-P energy: -135.306
bonds (distance) P-C4' energy: -145.458
flat angles C4'-P-C4' energy: -145.961
flat angles P-C4'-P energy: -86.848
tors. eta vs tors. theta energy: -144.532
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: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1831.502811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.502811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.502811 (E_RNA)
where:
Base-Base interactions energy: -1189.643
where: short stacking energy: -556.566
Base-Backbone interact. energy: -2.537
local terms energy: -639.323026
where:
bonds (distance) C4'-P energy: -112.581
bonds (distance) P-C4' energy: -146.999
flat angles C4'-P-C4' energy: -148.136
flat angles P-C4'-P energy: -91.321
tors. eta vs tors. theta energy: -140.286
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: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1739.287897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.287897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.287897 (E_RNA)
where:
Base-Base interactions energy: -1138.305
where: short stacking energy: -539.596
Base-Backbone interact. energy: -1.923
local terms energy: -599.059444
where:
bonds (distance) C4'-P energy: -128.323
bonds (distance) P-C4' energy: -122.617
flat angles C4'-P-C4' energy: -142.189
flat angles P-C4'-P energy: -83.634
tors. eta vs tors. theta energy: -122.297
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: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1515.424659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.424659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.424659 (E_RNA)
where:
Base-Base interactions energy: -972.895
where: short stacking energy: -467.502
Base-Backbone interact. energy: 0.055
local terms energy: -542.585112
where:
bonds (distance) C4'-P energy: -103.605
bonds (distance) P-C4' energy: -133.803
flat angles C4'-P-C4' energy: -120.266
flat angles P-C4'-P energy: -75.740
tors. eta vs tors. theta energy: -109.172
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: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1290.948366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.948366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.948366 (E_RNA)
where:
Base-Base interactions energy: -792.216
where: short stacking energy: -379.143
Base-Backbone interact. energy: -0.917
local terms energy: -497.814822
where:
bonds (distance) C4'-P energy: -102.679
bonds (distance) P-C4' energy: -125.350
flat angles C4'-P-C4' energy: -127.223
flat angles P-C4'-P energy: -70.141
tors. eta vs tors. theta energy: -72.421
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: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -924.348277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.348277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.348277 (E_RNA)
where:
Base-Base interactions energy: -479.898
where: short stacking energy: -270.245
Base-Backbone interact. energy: -0.174
local terms energy: -444.275917
where:
bonds (distance) C4'-P energy: -119.188
bonds (distance) P-C4' energy: -138.973
flat angles C4'-P-C4' energy: -109.726
flat angles P-C4'-P energy: -70.373
tors. eta vs tors. theta energy: -6.016
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: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -652.319915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.319915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.319915 (E_RNA)
where:
Base-Base interactions energy: -292.702
where: short stacking energy: -215.456
Base-Backbone interact. energy: -2.257
local terms energy: -357.360338
where:
bonds (distance) C4'-P energy: -104.111
bonds (distance) P-C4' energy: -100.611
flat angles C4'-P-C4' energy: -109.897
flat angles P-C4'-P energy: -67.102
tors. eta vs tors. theta energy: 24.359
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: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2388.500723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.500723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.500723 (E_RNA)
where:
Base-Base interactions energy: -1633.514
where: short stacking energy: -673.721
Base-Backbone interact. energy: -5.226
local terms energy: -749.760735
where:
bonds (distance) C4'-P energy: -132.584
bonds (distance) P-C4' energy: -135.523
flat angles C4'-P-C4' energy: -173.724
flat angles P-C4'-P energy: -113.993
tors. eta vs tors. theta energy: -193.937
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: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2333.657759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.657759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.657759 (E_RNA)
where:
Base-Base interactions energy: -1595.167
where: short stacking energy: -685.235
Base-Backbone interact. energy: 2.388
local terms energy: -740.878891
where:
bonds (distance) C4'-P energy: -139.919
bonds (distance) P-C4' energy: -136.930
flat angles C4'-P-C4' energy: -161.058
flat angles P-C4'-P energy: -105.129
tors. eta vs tors. theta energy: -197.843
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: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2194.339200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.339200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.339200 (E_RNA)
where:
Base-Base interactions energy: -1496.099
where: short stacking energy: -616.761
Base-Backbone interact. energy: -1.336
local terms energy: -696.904075
where:
bonds (distance) C4'-P energy: -136.297
bonds (distance) P-C4' energy: -140.036
flat angles C4'-P-C4' energy: -152.036
flat angles P-C4'-P energy: -108.800
tors. eta vs tors. theta energy: -159.736
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: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1935.724453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.724453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.724453 (E_RNA)
where:
Base-Base interactions energy: -1286.270
where: short stacking energy: -576.525
Base-Backbone interact. energy: -1.025
local terms energy: -648.429845
where:
bonds (distance) C4'-P energy: -128.340
bonds (distance) P-C4' energy: -135.826
flat angles C4'-P-C4' energy: -144.329
flat angles P-C4'-P energy: -90.494
tors. eta vs tors. theta energy: -149.440
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1769.561875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.561875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.561875 (E_RNA)
where:
Base-Base interactions energy: -1137.048
where: short stacking energy: -512.945
Base-Backbone interact. energy: 0.446
local terms energy: -632.959538
where:
bonds (distance) C4'-P energy: -127.669
bonds (distance) P-C4' energy: -142.723
flat angles C4'-P-C4' energy: -127.430
flat angles P-C4'-P energy: -87.981
tors. eta vs tors. theta energy: -147.157
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: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1726.439641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.439641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.439641 (E_RNA)
where:
Base-Base interactions energy: -1105.910
where: short stacking energy: -493.972
Base-Backbone interact. energy: -3.569
local terms energy: -616.960175
where:
bonds (distance) C4'-P energy: -129.633
bonds (distance) P-C4' energy: -143.836
flat angles C4'-P-C4' energy: -146.249
flat angles P-C4'-P energy: -92.265
tors. eta vs tors. theta energy: -104.977
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: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1491.792600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.792600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.792600 (E_RNA)
where:
Base-Base interactions energy: -929.914
where: short stacking energy: -440.104
Base-Backbone interact. energy: 0.710
local terms energy: -562.587986
where:
bonds (distance) C4'-P energy: -123.052
bonds (distance) P-C4' energy: -137.622
flat angles C4'-P-C4' energy: -133.857
flat angles P-C4'-P energy: -70.104
tors. eta vs tors. theta energy: -97.953
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: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1265.852645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.852645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.852645 (E_RNA)
where:
Base-Base interactions energy: -758.997
where: short stacking energy: -340.865
Base-Backbone interact. energy: -0.123
local terms energy: -506.732580
where:
bonds (distance) C4'-P energy: -108.630
bonds (distance) P-C4' energy: -128.457
flat angles C4'-P-C4' energy: -125.955
flat angles P-C4'-P energy: -91.597
tors. eta vs tors. theta energy: -52.093
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: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -944.962733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.962733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.962733 (E_RNA)
where:
Base-Base interactions energy: -558.663
where: short stacking energy: -274.873
Base-Backbone interact. energy: 0.209
local terms energy: -386.508891
where:
bonds (distance) C4'-P energy: -125.434
bonds (distance) P-C4' energy: -105.206
flat angles C4'-P-C4' energy: -97.470
flat angles P-C4'-P energy: -49.672
tors. eta vs tors. theta energy: -8.727
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: 10, replica: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -706.244866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.244866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.244866 (E_RNA)
where:
Base-Base interactions energy: -350.607
where: short stacking energy: -208.049
Base-Backbone interact. energy: 2.542
local terms energy: -358.179944
where:
bonds (distance) C4'-P energy: -122.985
bonds (distance) P-C4' energy: -124.417
flat angles C4'-P-C4' energy: -85.516
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: 28.497
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: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2389.343605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.343605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.343605 (E_RNA)
where:
Base-Base interactions energy: -1616.618
where: short stacking energy: -683.171
Base-Backbone interact. energy: -7.123
local terms energy: -765.602774
where:
bonds (distance) C4'-P energy: -145.752
bonds (distance) P-C4' energy: -147.203
flat angles C4'-P-C4' energy: -173.192
flat angles P-C4'-P energy: -106.621
tors. eta vs tors. theta energy: -192.835
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: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2342.121320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.121320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.121320 (E_RNA)
where:
Base-Base interactions energy: -1591.477
where: short stacking energy: -692.584
Base-Backbone interact. energy: -1.446
local terms energy: -749.198895
where:
bonds (distance) C4'-P energy: -146.960
bonds (distance) P-C4' energy: -153.454
flat angles C4'-P-C4' energy: -159.164
flat angles P-C4'-P energy: -96.529
tors. eta vs tors. theta energy: -193.092
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: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2126.920540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.920540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.920540 (E_RNA)
where:
Base-Base interactions energy: -1435.833
where: short stacking energy: -640.136
Base-Backbone interact. energy: -4.520
local terms energy: -686.567574
where:
bonds (distance) C4'-P energy: -133.102
bonds (distance) P-C4' energy: -139.835
flat angles C4'-P-C4' energy: -144.649
flat angles P-C4'-P energy: -101.561
tors. eta vs tors. theta energy: -167.421
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: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1937.366754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.366754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.366754 (E_RNA)
where:
Base-Base interactions energy: -1296.001
where: short stacking energy: -542.497
Base-Backbone interact. energy: -3.816
local terms energy: -637.549660
where:
bonds (distance) C4'-P energy: -122.792
bonds (distance) P-C4' energy: -129.270
flat angles C4'-P-C4' energy: -148.940
flat angles P-C4'-P energy: -96.035
tors. eta vs tors. theta energy: -140.511
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: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1805.920380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.920380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.920380 (E_RNA)
where:
Base-Base interactions energy: -1148.716
where: short stacking energy: -525.914
Base-Backbone interact. energy: -2.523
local terms energy: -654.680881
where:
bonds (distance) C4'-P energy: -133.800
bonds (distance) P-C4' energy: -144.543
flat angles C4'-P-C4' energy: -143.041
flat angles P-C4'-P energy: -97.013
tors. eta vs tors. theta energy: -136.284
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: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1763.163889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.163889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.163889 (E_RNA)
where:
Base-Base interactions energy: -1178.345
where: short stacking energy: -536.207
Base-Backbone interact. energy: -2.098
local terms energy: -582.721240
where:
bonds (distance) C4'-P energy: -111.210
bonds (distance) P-C4' energy: -145.401
flat angles C4'-P-C4' energy: -111.025
flat angles P-C4'-P energy: -84.923
tors. eta vs tors. theta energy: -130.162
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: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1391.021610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.021610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.021610 (E_RNA)
where:
Base-Base interactions energy: -835.215
where: short stacking energy: -410.192
Base-Backbone interact. energy: -3.580
local terms energy: -552.226111
where:
bonds (distance) C4'-P energy: -111.691
bonds (distance) P-C4' energy: -131.889
flat angles C4'-P-C4' energy: -134.506
flat angles P-C4'-P energy: -96.724
tors. eta vs tors. theta energy: -77.417
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: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1370.617973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.617973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.617973 (E_RNA)
where:
Base-Base interactions energy: -859.730
where: short stacking energy: -410.596
Base-Backbone interact. energy: 1.108
local terms energy: -511.995982
where:
bonds (distance) C4'-P energy: -134.973
bonds (distance) P-C4' energy: -124.154
flat angles C4'-P-C4' energy: -105.983
flat angles P-C4'-P energy: -71.068
tors. eta vs tors. theta energy: -75.818
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: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1028.860882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.860882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.860882 (E_RNA)
where:
Base-Base interactions energy: -565.551
where: short stacking energy: -267.902
Base-Backbone interact. energy: -0.161
local terms energy: -463.149020
where:
bonds (distance) C4'-P energy: -119.333
bonds (distance) P-C4' energy: -119.511
flat angles C4'-P-C4' energy: -123.871
flat angles P-C4'-P energy: -60.250
tors. eta vs tors. theta energy: -40.184
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: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -717.718383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.718383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.718383 (E_RNA)
where:
Base-Base interactions energy: -289.773
where: short stacking energy: -188.887
Base-Backbone interact. energy: 0.828
local terms energy: -428.773029
where:
bonds (distance) C4'-P energy: -118.732
bonds (distance) P-C4' energy: -134.467
flat angles C4'-P-C4' energy: -122.023
flat angles P-C4'-P energy: -70.075
tors. eta vs tors. theta energy: 16.524
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: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2395.131016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.131016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.131016 (E_RNA)
where:
Base-Base interactions energy: -1617.323
where: short stacking energy: -723.528
Base-Backbone interact. energy: -3.950
local terms energy: -773.858284
where:
bonds (distance) C4'-P energy: -135.077
bonds (distance) P-C4' energy: -158.626
flat angles C4'-P-C4' energy: -173.130
flat angles P-C4'-P energy: -102.942
tors. eta vs tors. theta energy: -204.083
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: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2331.154669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.154669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.154669 (E_RNA)
where:
Base-Base interactions energy: -1577.505
where: short stacking energy: -687.083
Base-Backbone interact. energy: -5.500
local terms energy: -748.149594
where:
bonds (distance) C4'-P energy: -141.421
bonds (distance) P-C4' energy: -136.759
flat angles C4'-P-C4' energy: -166.041
flat angles P-C4'-P energy: -114.922
tors. eta vs tors. theta energy: -189.007
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: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2138.802088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.802088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.802088 (E_RNA)
where:
Base-Base interactions energy: -1455.625
where: short stacking energy: -627.985
Base-Backbone interact. energy: -0.188
local terms energy: -682.989567
where:
bonds (distance) C4'-P energy: -140.467
bonds (distance) P-C4' energy: -153.856
flat angles C4'-P-C4' energy: -151.453
flat angles P-C4'-P energy: -92.776
tors. eta vs tors. theta energy: -144.437
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: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1974.626428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.626428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.626428 (E_RNA)
where:
Base-Base interactions energy: -1321.517
where: short stacking energy: -582.547
Base-Backbone interact. energy: -1.525
local terms energy: -651.583762
where:
bonds (distance) C4'-P energy: -152.919
bonds (distance) P-C4' energy: -123.559
flat angles C4'-P-C4' energy: -148.794
flat angles P-C4'-P energy: -82.684
tors. eta vs tors. theta energy: -143.627
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: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1879.729080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.729080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.729080 (E_RNA)
where:
Base-Base interactions energy: -1268.405
where: short stacking energy: -558.688
Base-Backbone interact. energy: -3.619
local terms energy: -607.705216
where:
bonds (distance) C4'-P energy: -138.753
bonds (distance) P-C4' energy: -120.021
flat angles C4'-P-C4' energy: -137.892
flat angles P-C4'-P energy: -74.142
tors. eta vs tors. theta energy: -136.897
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: 76
Temperature: 1.150000
Total energy: -1709.381040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.381040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.381040 (E_RNA)
where:
Base-Base interactions energy: -1084.128
where: short stacking energy: -509.897
Base-Backbone interact. energy: -2.460
local terms energy: -622.793311
where:
bonds (distance) C4'-P energy: -124.166
bonds (distance) P-C4' energy: -147.551
flat angles C4'-P-C4' energy: -134.979
flat angles P-C4'-P energy: -81.307
tors. eta vs tors. theta energy: -134.790
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: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1407.223389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.223389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.223389 (E_RNA)
where:
Base-Base interactions energy: -848.634
where: short stacking energy: -407.697
Base-Backbone interact. energy: 0.097
local terms energy: -558.685675
where:
bonds (distance) C4'-P energy: -104.724
bonds (distance) P-C4' energy: -136.369
flat angles C4'-P-C4' energy: -124.172
flat angles P-C4'-P energy: -99.323
tors. eta vs tors. theta energy: -94.099
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: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1281.090465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.090465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.090465 (E_RNA)
where:
Base-Base interactions energy: -788.163
where: short stacking energy: -395.429
Base-Backbone interact. energy: 0.496
local terms energy: -493.423393
where:
bonds (distance) C4'-P energy: -115.390
bonds (distance) P-C4' energy: -112.214
flat angles C4'-P-C4' energy: -134.347
flat angles P-C4'-P energy: -70.215
tors. eta vs tors. theta energy: -61.257
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: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1056.348795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.348795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.348795 (E_RNA)
where:
Base-Base interactions energy: -566.630
where: short stacking energy: -302.897
Base-Backbone interact. energy: -2.242
local terms energy: -487.477239
where:
bonds (distance) C4'-P energy: -132.422
bonds (distance) P-C4' energy: -129.306
flat angles C4'-P-C4' energy: -103.466
flat angles P-C4'-P energy: -92.336
tors. eta vs tors. theta energy: -29.947
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: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -775.096250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.096250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.096250 (E_RNA)
where:
Base-Base interactions energy: -364.313
where: short stacking energy: -217.790
Base-Backbone interact. energy: 1.699
local terms energy: -412.482680
where:
bonds (distance) C4'-P energy: -115.691
bonds (distance) P-C4' energy: -126.555
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -69.014
tors. eta vs tors. theta energy: -1.445
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: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2413.487404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.487404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.487404 (E_RNA)
where:
Base-Base interactions energy: -1647.747
where: short stacking energy: -721.865
Base-Backbone interact. energy: -7.043
local terms energy: -758.697575
where:
bonds (distance) C4'-P energy: -134.358
bonds (distance) P-C4' energy: -139.104
flat angles C4'-P-C4' energy: -170.904
flat angles P-C4'-P energy: -107.479
tors. eta vs tors. theta energy: -206.852
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: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2319.209692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.209692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.209692 (E_RNA)
where:
Base-Base interactions energy: -1585.334
where: short stacking energy: -700.877
Base-Backbone interact. energy: -0.448
local terms energy: -733.428164
where:
bonds (distance) C4'-P energy: -137.700
bonds (distance) P-C4' energy: -141.763
flat angles C4'-P-C4' energy: -160.883
flat angles P-C4'-P energy: -88.253
tors. eta vs tors. theta energy: -204.829
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: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2137.261675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.261675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.261675 (E_RNA)
where:
Base-Base interactions energy: -1426.714
where: short stacking energy: -624.310
Base-Backbone interact. energy: -3.412
local terms energy: -707.135417
where:
bonds (distance) C4'-P energy: -143.611
bonds (distance) P-C4' energy: -149.683
flat angles C4'-P-C4' energy: -151.010
flat angles P-C4'-P energy: -96.980
tors. eta vs tors. theta energy: -165.852
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: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1958.523927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.523927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.523927 (E_RNA)
where:
Base-Base interactions energy: -1316.850
where: short stacking energy: -581.657
Base-Backbone interact. energy: 0.416
local terms energy: -642.090219
where:
bonds (distance) C4'-P energy: -138.257
bonds (distance) P-C4' energy: -130.647
flat angles C4'-P-C4' energy: -147.686
flat angles P-C4'-P energy: -79.294
tors. eta vs tors. theta energy: -146.206
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: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1966.424530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.424530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.424530 (E_RNA)
where:
Base-Base interactions energy: -1320.588
where: short stacking energy: -590.319
Base-Backbone interact. energy: 1.388
local terms energy: -647.225070
where:
bonds (distance) C4'-P energy: -136.560
bonds (distance) P-C4' energy: -128.619
flat angles C4'-P-C4' energy: -144.940
flat angles P-C4'-P energy: -93.874
tors. eta vs tors. theta energy: -143.232
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: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1724.850242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.850242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.850242 (E_RNA)
where:
Base-Base interactions energy: -1115.021
where: short stacking energy: -493.744
Base-Backbone interact. energy: -1.721
local terms energy: -608.107726
where:
bonds (distance) C4'-P energy: -128.810
bonds (distance) P-C4' energy: -113.718
flat angles C4'-P-C4' energy: -142.584
flat angles P-C4'-P energy: -100.735
tors. eta vs tors. theta energy: -122.261
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: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1368.387310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.387310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.387310 (E_RNA)
where:
Base-Base interactions energy: -845.359
where: short stacking energy: -423.198
Base-Backbone interact. energy: -1.790
local terms energy: -521.238599
where:
bonds (distance) C4'-P energy: -127.706
bonds (distance) P-C4' energy: -135.257
flat angles C4'-P-C4' energy: -131.737
flat angles P-C4'-P energy: -66.308
tors. eta vs tors. theta energy: -60.230
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: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1286.708826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.708826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.708826 (E_RNA)
where:
Base-Base interactions energy: -793.660
where: short stacking energy: -373.237
Base-Backbone interact. energy: -1.841
local terms energy: -491.207658
where:
bonds (distance) C4'-P energy: -111.447
bonds (distance) P-C4' energy: -115.693
flat angles C4'-P-C4' energy: -127.741
flat angles P-C4'-P energy: -77.279
tors. eta vs tors. theta energy: -59.049
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: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -971.257342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.257342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.257342 (E_RNA)
where:
Base-Base interactions energy: -552.895
where: short stacking energy: -276.921
Base-Backbone interact. energy: 0.930
local terms energy: -419.292503
where:
bonds (distance) C4'-P energy: -111.438
bonds (distance) P-C4' energy: -139.871
flat angles C4'-P-C4' energy: -95.180
flat angles P-C4'-P energy: -53.344
tors. eta vs tors. theta energy: -19.459
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: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -735.398388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.398388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.398388 (E_RNA)
where:
Base-Base interactions energy: -365.296
where: short stacking energy: -220.572
Base-Backbone interact. energy: 5.411
local terms energy: -375.513042
where:
bonds (distance) C4'-P energy: -97.939
bonds (distance) P-C4' energy: -119.423
flat angles C4'-P-C4' energy: -102.552
flat angles P-C4'-P energy: -47.740
tors. eta vs tors. theta energy: -7.859
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: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2407.458305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.458305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.458305 (E_RNA)
where:
Base-Base interactions energy: -1631.185
where: short stacking energy: -719.166
Base-Backbone interact. energy: -5.136
local terms energy: -771.137049
where:
bonds (distance) C4'-P energy: -138.187
bonds (distance) P-C4' energy: -154.246
flat angles C4'-P-C4' energy: -163.016
flat angles P-C4'-P energy: -117.260
tors. eta vs tors. theta energy: -198.429
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: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2284.423637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.423637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.423637 (E_RNA)
where:
Base-Base interactions energy: -1531.037
where: short stacking energy: -671.447
Base-Backbone interact. energy: -1.994
local terms energy: -751.392202
where:
bonds (distance) C4'-P energy: -130.381
bonds (distance) P-C4' energy: -151.173
flat angles C4'-P-C4' energy: -166.955
flat angles P-C4'-P energy: -114.910
tors. eta vs tors. theta energy: -187.973
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: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2137.436406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.436406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.436406 (E_RNA)
where:
Base-Base interactions energy: -1417.930
where: short stacking energy: -610.644
Base-Backbone interact. energy: -4.846
local terms energy: -714.660026
where:
bonds (distance) C4'-P energy: -149.686
bonds (distance) P-C4' energy: -152.317
flat angles C4'-P-C4' energy: -162.784
flat angles P-C4'-P energy: -101.726
tors. eta vs tors. theta energy: -148.146
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: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1969.549551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.549551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.549551 (E_RNA)
where:
Base-Base interactions energy: -1292.291
where: short stacking energy: -555.605
Base-Backbone interact. energy: -6.696
local terms energy: -670.562860
where:
bonds (distance) C4'-P energy: -147.593
bonds (distance) P-C4' energy: -133.717
flat angles C4'-P-C4' energy: -154.507
flat angles P-C4'-P energy: -95.880
tors. eta vs tors. theta energy: -138.865
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: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1985.285200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.285200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.285200 (E_RNA)
where:
Base-Base interactions energy: -1318.110
where: short stacking energy: -586.400
Base-Backbone interact. energy: 1.242
local terms energy: -668.417309
where:
bonds (distance) C4'-P energy: -140.151
bonds (distance) P-C4' energy: -138.245
flat angles C4'-P-C4' energy: -141.092
flat angles P-C4'-P energy: -91.909
tors. eta vs tors. theta energy: -157.021
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: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1727.545410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.545410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.545410 (E_RNA)
where:
Base-Base interactions energy: -1129.763
where: short stacking energy: -506.764
Base-Backbone interact. energy: -3.200
local terms energy: -594.582692
where:
bonds (distance) C4'-P energy: -137.654
bonds (distance) P-C4' energy: -121.518
flat angles C4'-P-C4' energy: -122.621
flat angles P-C4'-P energy: -91.310
tors. eta vs tors. theta energy: -121.479
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: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1452.914248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.914248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.914248 (E_RNA)
where:
Base-Base interactions energy: -939.386
where: short stacking energy: -442.940
Base-Backbone interact. energy: -1.151
local terms energy: -512.377459
where:
bonds (distance) C4'-P energy: -116.068
bonds (distance) P-C4' energy: -114.771
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -87.901
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: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1274.120235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.120235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.120235 (E_RNA)
where:
Base-Base interactions energy: -778.877
where: short stacking energy: -384.945
Base-Backbone interact. energy: 2.984
local terms energy: -498.227748
where:
bonds (distance) C4'-P energy: -131.464
bonds (distance) P-C4' energy: -130.587
flat angles C4'-P-C4' energy: -97.830
flat angles P-C4'-P energy: -70.414
tors. eta vs tors. theta energy: -67.932
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: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -994.177801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.177801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.177801 (E_RNA)
where:
Base-Base interactions energy: -577.977
where: short stacking energy: -303.180
Base-Backbone interact. energy: -0.565
local terms energy: -415.635663
where:
bonds (distance) C4'-P energy: -103.838
bonds (distance) P-C4' energy: -129.191
flat angles C4'-P-C4' energy: -107.635
flat angles P-C4'-P energy: -66.236
tors. eta vs tors. theta energy: -8.736
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -670.470640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.470640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.470640 (E_RNA)
where:
Base-Base interactions energy: -264.685
where: short stacking energy: -160.538
Base-Backbone interact. energy: -1.029
local terms energy: -404.756537
where:
bonds (distance) C4'-P energy: -122.671
bonds (distance) P-C4' energy: -125.281
flat angles C4'-P-C4' energy: -119.471
flat angles P-C4'-P energy: -60.710
tors. eta vs tors. theta energy: 23.376
Dist. restrs. and SS energy: 0.000 (S_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: 79
Temperature: 0.900000
Total energy: -2417.144517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.144517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.144517 (E_RNA)
where:
Base-Base interactions energy: -1636.731
where: short stacking energy: -723.601
Base-Backbone interact. energy: -5.138
local terms energy: -775.276059
where:
bonds (distance) C4'-P energy: -149.339
bonds (distance) P-C4' energy: -147.960
flat angles C4'-P-C4' energy: -166.765
flat angles P-C4'-P energy: -110.130
tors. eta vs tors. theta energy: -201.082
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: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2377.665660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.665660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.665660 (E_RNA)
where:
Base-Base interactions energy: -1626.197
where: short stacking energy: -699.023
Base-Backbone interact. energy: 0.213
local terms energy: -751.681650
where:
bonds (distance) C4'-P energy: -146.865
bonds (distance) P-C4' energy: -133.180
flat angles C4'-P-C4' energy: -160.195
flat angles P-C4'-P energy: -114.009
tors. eta vs tors. theta energy: -197.432
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: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2190.506197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.506197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.506197 (E_RNA)
where:
Base-Base interactions energy: -1466.099
where: short stacking energy: -651.854
Base-Backbone interact. energy: -6.680
local terms energy: -717.726679
where:
bonds (distance) C4'-P energy: -115.203
bonds (distance) P-C4' energy: -147.410
flat angles C4'-P-C4' energy: -161.999
flat angles P-C4'-P energy: -114.752
tors. eta vs tors. theta energy: -178.362
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: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2047.303845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.303845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.303845 (E_RNA)
where:
Base-Base interactions energy: -1380.472
where: short stacking energy: -621.094
Base-Backbone interact. energy: -2.619
local terms energy: -664.213027
where:
bonds (distance) C4'-P energy: -121.243
bonds (distance) P-C4' energy: -126.318
flat angles C4'-P-C4' energy: -154.351
flat angles P-C4'-P energy: -102.256
tors. eta vs tors. theta energy: -160.045
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: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1883.127068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.127068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.127068 (E_RNA)
where:
Base-Base interactions energy: -1278.308
where: short stacking energy: -558.758
Base-Backbone interact. energy: -3.228
local terms energy: -601.591404
where:
bonds (distance) C4'-P energy: -113.161
bonds (distance) P-C4' energy: -142.214
flat angles C4'-P-C4' energy: -137.182
flat angles P-C4'-P energy: -78.189
tors. eta vs tors. theta energy: -130.845
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: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1742.323258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.323258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.323258 (E_RNA)
where:
Base-Base interactions energy: -1147.354
where: short stacking energy: -522.270
Base-Backbone interact. energy: 0.305
local terms energy: -595.274643
where:
bonds (distance) C4'-P energy: -120.485
bonds (distance) P-C4' energy: -126.215
flat angles C4'-P-C4' energy: -132.487
flat angles P-C4'-P energy: -90.277
tors. eta vs tors. theta energy: -125.811
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: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1488.865484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.865484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.865484 (E_RNA)
where:
Base-Base interactions energy: -954.714
where: short stacking energy: -453.453
Base-Backbone interact. energy: 7.199
local terms energy: -541.350874
where:
bonds (distance) C4'-P energy: -105.102
bonds (distance) P-C4' energy: -131.878
flat angles C4'-P-C4' energy: -117.799
flat angles P-C4'-P energy: -79.361
tors. eta vs tors. theta energy: -107.211
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: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1211.807096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.807096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.807096 (E_RNA)
where:
Base-Base interactions energy: -749.171
where: short stacking energy: -350.481
Base-Backbone interact. energy: -5.015
local terms energy: -457.621838
where:
bonds (distance) C4'-P energy: -102.445
bonds (distance) P-C4' energy: -139.374
flat angles C4'-P-C4' energy: -106.758
flat angles P-C4'-P energy: -65.847
tors. eta vs tors. theta energy: -43.199
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: 79
Temperature: 1.300000
Total energy: -1055.738649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.738649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.738649 (E_RNA)
where:
Base-Base interactions energy: -645.351
where: short stacking energy: -311.479
Base-Backbone interact. energy: 0.763
local terms energy: -411.150690
where:
bonds (distance) C4'-P energy: -106.240
bonds (distance) P-C4' energy: -112.539
flat angles C4'-P-C4' energy: -113.866
flat angles P-C4'-P energy: -56.394
tors. eta vs tors. theta energy: -22.111
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: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -707.597357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.597357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.597357 (E_RNA)
where:
Base-Base interactions energy: -337.135
where: short stacking energy: -219.188
Base-Backbone interact. energy: 2.934
local terms energy: -373.396079
where:
bonds (distance) C4'-P energy: -101.438
bonds (distance) P-C4' energy: -98.815
flat angles C4'-P-C4' energy: -103.669
flat angles P-C4'-P energy: -71.041
tors. eta vs tors. theta energy: 1.567
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: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2400.027659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.027659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.027659 (E_RNA)
where:
Base-Base interactions energy: -1652.024
where: short stacking energy: -712.384
Base-Backbone interact. energy: 0.114
local terms energy: -748.117626
where:
bonds (distance) C4'-P energy: -137.723
bonds (distance) P-C4' energy: -135.574
flat angles C4'-P-C4' energy: -160.164
flat angles P-C4'-P energy: -115.075
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: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2361.307942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.307942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.307942 (E_RNA)
where:
Base-Base interactions energy: -1608.219
where: short stacking energy: -672.915
Base-Backbone interact. energy: -1.003
local terms energy: -752.085893
where:
bonds (distance) C4'-P energy: -133.612
bonds (distance) P-C4' energy: -155.802
flat angles C4'-P-C4' energy: -162.444
flat angles P-C4'-P energy: -108.405
tors. eta vs tors. theta energy: -191.823
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: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2195.067829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.067829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.067829 (E_RNA)
where:
Base-Base interactions energy: -1508.257
where: short stacking energy: -658.164
Base-Backbone interact. energy: -4.229
local terms energy: -682.582322
where:
bonds (distance) C4'-P energy: -137.197
bonds (distance) P-C4' energy: -123.725
flat angles C4'-P-C4' energy: -152.882
flat angles P-C4'-P energy: -102.292
tors. eta vs tors. theta energy: -166.486
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: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2018.274171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.274171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.274171 (E_RNA)
where:
Base-Base interactions energy: -1344.105
where: short stacking energy: -607.975
Base-Backbone interact. energy: -2.672
local terms energy: -671.497551
where:
bonds (distance) C4'-P energy: -145.009
bonds (distance) P-C4' energy: -116.878
flat angles C4'-P-C4' energy: -160.434
flat angles P-C4'-P energy: -92.589
tors. eta vs tors. theta energy: -156.587
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: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1896.832528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.832528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.832528 (E_RNA)
where:
Base-Base interactions energy: -1260.247
where: short stacking energy: -534.709
Base-Backbone interact. energy: -2.358
local terms energy: -634.227961
where:
bonds (distance) C4'-P energy: -134.719
bonds (distance) P-C4' energy: -128.827
flat angles C4'-P-C4' energy: -140.659
flat angles P-C4'-P energy: -78.143
tors. eta vs tors. theta energy: -151.879
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: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1838.567835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.567835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.567835 (E_RNA)
where:
Base-Base interactions energy: -1199.694
where: short stacking energy: -565.792
Base-Backbone interact. energy: 2.323
local terms energy: -641.196586
where:
bonds (distance) C4'-P energy: -143.313
bonds (distance) P-C4' energy: -132.255
flat angles C4'-P-C4' energy: -138.803
flat angles P-C4'-P energy: -92.184
tors. eta vs tors. theta energy: -134.641
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: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1517.516794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.516794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.516794 (E_RNA)
where:
Base-Base interactions energy: -936.015
where: short stacking energy: -441.153
Base-Backbone interact. energy: -2.782
local terms energy: -578.720224
where:
bonds (distance) C4'-P energy: -120.245
bonds (distance) P-C4' energy: -133.602
flat angles C4'-P-C4' energy: -136.982
flat angles P-C4'-P energy: -86.321
tors. eta vs tors. theta energy: -101.570
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: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1249.801991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.801991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.801991 (E_RNA)
where:
Base-Base interactions energy: -749.317
where: short stacking energy: -389.272
Base-Backbone interact. energy: -0.015
local terms energy: -500.469529
where:
bonds (distance) C4'-P energy: -125.728
bonds (distance) P-C4' energy: -118.876
flat angles C4'-P-C4' energy: -132.677
flat angles P-C4'-P energy: -62.518
tors. eta vs tors. theta energy: -60.671
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: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1133.963918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.963918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.963918 (E_RNA)
where:
Base-Base interactions energy: -646.477
where: short stacking energy: -317.537
Base-Backbone interact. energy: -2.765
local terms energy: -484.721398
where:
bonds (distance) C4'-P energy: -104.735
bonds (distance) P-C4' energy: -138.298
flat angles C4'-P-C4' energy: -117.444
flat angles P-C4'-P energy: -81.884
tors. eta vs tors. theta energy: -42.360
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: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -779.472814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.472814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.472814 (E_RNA)
where:
Base-Base interactions energy: -411.315
where: short stacking energy: -186.519
Base-Backbone interact. energy: -2.515
local terms energy: -365.643157
where:
bonds (distance) C4'-P energy: -110.071
bonds (distance) P-C4' energy: -139.773
flat angles C4'-P-C4' energy: -85.708
flat angles P-C4'-P energy: -46.633
tors. eta vs tors. theta energy: 16.541
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: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2356.117329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.117329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.117329 (E_RNA)
where:
Base-Base interactions energy: -1599.887
where: short stacking energy: -664.950
Base-Backbone interact. energy: -3.493
local terms energy: -752.737301
where:
bonds (distance) C4'-P energy: -137.279
bonds (distance) P-C4' energy: -156.476
flat angles C4'-P-C4' energy: -163.317
flat angles P-C4'-P energy: -106.227
tors. eta vs tors. theta energy: -189.438
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: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2333.183472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.183472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.183472 (E_RNA)
where:
Base-Base interactions energy: -1620.429
where: short stacking energy: -667.953
Base-Backbone interact. energy: 4.485
local terms energy: -717.239316
where:
bonds (distance) C4'-P energy: -130.869
bonds (distance) P-C4' energy: -143.630
flat angles C4'-P-C4' energy: -161.291
flat angles P-C4'-P energy: -95.521
tors. eta vs tors. theta energy: -185.928
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: 81
Temperature: 1.000000
Total energy: -2204.346552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.346552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.346552 (E_RNA)
where:
Base-Base interactions energy: -1493.776
where: short stacking energy: -642.094
Base-Backbone interact. energy: -4.921
local terms energy: -705.649280
where:
bonds (distance) C4'-P energy: -128.374
bonds (distance) P-C4' energy: -152.376
flat angles C4'-P-C4' energy: -159.958
flat angles P-C4'-P energy: -92.642
tors. eta vs tors. theta energy: -172.300
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: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2031.696189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.696189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.696189 (E_RNA)
where:
Base-Base interactions energy: -1370.905
where: short stacking energy: -623.136
Base-Backbone interact. energy: -7.737
local terms energy: -653.053590
where:
bonds (distance) C4'-P energy: -105.349
bonds (distance) P-C4' energy: -126.022
flat angles C4'-P-C4' energy: -154.994
flat angles P-C4'-P energy: -102.111
tors. eta vs tors. theta energy: -164.578
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: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1858.657954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.657954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.657954 (E_RNA)
where:
Base-Base interactions energy: -1237.266
where: short stacking energy: -554.495
Base-Backbone interact. energy: -2.352
local terms energy: -619.039970
where:
bonds (distance) C4'-P energy: -108.222
bonds (distance) P-C4' energy: -135.278
flat angles C4'-P-C4' energy: -136.461
flat angles P-C4'-P energy: -96.565
tors. eta vs tors. theta energy: -142.515
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: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1829.149681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.149681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.149681 (E_RNA)
where:
Base-Base interactions energy: -1191.842
where: short stacking energy: -539.277
Base-Backbone interact. energy: -1.594
local terms energy: -635.713103
where:
bonds (distance) C4'-P energy: -122.048
bonds (distance) P-C4' energy: -132.432
flat angles C4'-P-C4' energy: -133.537
flat angles P-C4'-P energy: -100.201
tors. eta vs tors. theta energy: -147.495
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: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1523.664887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.664887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.664887 (E_RNA)
where:
Base-Base interactions energy: -981.279
where: short stacking energy: -415.088
Base-Backbone interact. energy: -3.457
local terms energy: -538.929128
where:
bonds (distance) C4'-P energy: -125.515
bonds (distance) P-C4' energy: -115.561
flat angles C4'-P-C4' energy: -131.671
flat angles P-C4'-P energy: -92.419
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: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1270.545360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.545360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.545360 (E_RNA)
where:
Base-Base interactions energy: -787.831
where: short stacking energy: -395.297
Base-Backbone interact. energy: -0.825
local terms energy: -481.889290
where:
bonds (distance) C4'-P energy: -103.813
bonds (distance) P-C4' energy: -121.078
flat angles C4'-P-C4' energy: -123.363
flat angles P-C4'-P energy: -61.773
tors. eta vs tors. theta energy: -71.863
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: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1060.775954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.775954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.775954 (E_RNA)
where:
Base-Base interactions energy: -626.688
where: short stacking energy: -322.462
Base-Backbone interact. energy: -2.359
local terms energy: -431.729136
where:
bonds (distance) C4'-P energy: -112.424
bonds (distance) P-C4' energy: -116.662
flat angles C4'-P-C4' energy: -93.408
flat angles P-C4'-P energy: -71.059
tors. eta vs tors. theta energy: -38.175
Dist. restrs. and SS energy: 0.000 (S_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: 81
Temperature: 1.350000
Total energy: -821.212956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.212956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.212956 (E_RNA)
where:
Base-Base interactions energy: -406.040
where: short stacking energy: -197.244
Base-Backbone interact. energy: -4.114
local terms energy: -411.059498
where:
bonds (distance) C4'-P energy: -138.473
bonds (distance) P-C4' energy: -112.798
flat angles C4'-P-C4' energy: -113.290
flat angles P-C4'-P energy: -66.313
tors. eta vs tors. theta energy: 19.814
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: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2364.195151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.195151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.195151 (E_RNA)
where:
Base-Base interactions energy: -1583.212
where: short stacking energy: -693.535
Base-Backbone interact. energy: -3.783
local terms energy: -777.200627
where:
bonds (distance) C4'-P energy: -140.945
bonds (distance) P-C4' energy: -157.333
flat angles C4'-P-C4' energy: -173.127
flat angles P-C4'-P energy: -114.224
tors. eta vs tors. theta energy: -191.572
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: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2361.110503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.110503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.110503 (E_RNA)
where:
Base-Base interactions energy: -1606.104
where: short stacking energy: -676.644
Base-Backbone interact. energy: -1.555
local terms energy: -753.451795
where:
bonds (distance) C4'-P energy: -144.822
bonds (distance) P-C4' energy: -158.819
flat angles C4'-P-C4' energy: -151.108
flat angles P-C4'-P energy: -97.580
tors. eta vs tors. theta energy: -201.122
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: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2226.813240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.813240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.813240 (E_RNA)
where:
Base-Base interactions energy: -1494.124
where: short stacking energy: -655.239
Base-Backbone interact. energy: -5.375
local terms energy: -727.313811
where:
bonds (distance) C4'-P energy: -132.566
bonds (distance) P-C4' energy: -147.294
flat angles C4'-P-C4' energy: -156.848
flat angles P-C4'-P energy: -101.354
tors. eta vs tors. theta energy: -189.252
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: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2050.653700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.653700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.653700 (E_RNA)
where:
Base-Base interactions energy: -1380.788
where: short stacking energy: -589.073
Base-Backbone interact. energy: -5.849
local terms energy: -664.017242
where:
bonds (distance) C4'-P energy: -135.837
bonds (distance) P-C4' energy: -135.390
flat angles C4'-P-C4' energy: -151.755
flat angles P-C4'-P energy: -89.888
tors. eta vs tors. theta energy: -151.147
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: 82
Temperature: 1.100000
Total energy: -1841.904442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.904442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.904442 (E_RNA)
where:
Base-Base interactions energy: -1231.349
where: short stacking energy: -520.476
Base-Backbone interact. energy: 1.346
local terms energy: -611.901801
where:
bonds (distance) C4'-P energy: -131.613
bonds (distance) P-C4' energy: -125.021
flat angles C4'-P-C4' energy: -146.128
flat angles P-C4'-P energy: -84.132
tors. eta vs tors. theta energy: -125.008
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: 82
Temperature: 1.150000
Total energy: -1834.397843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.397843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.397843 (E_RNA)
where:
Base-Base interactions energy: -1214.657
where: short stacking energy: -539.559
Base-Backbone interact. energy: 0.982
local terms energy: -620.722920
where:
bonds (distance) C4'-P energy: -117.539
bonds (distance) P-C4' energy: -127.803
flat angles C4'-P-C4' energy: -139.111
flat angles P-C4'-P energy: -97.366
tors. eta vs tors. theta energy: -138.904
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: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1534.606534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.606534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.606534 (E_RNA)
where:
Base-Base interactions energy: -978.300
where: short stacking energy: -425.274
Base-Backbone interact. energy: -1.806
local terms energy: -554.500896
where:
bonds (distance) C4'-P energy: -129.428
bonds (distance) P-C4' energy: -124.344
flat angles C4'-P-C4' energy: -123.367
flat angles P-C4'-P energy: -86.177
tors. eta vs tors. theta energy: -91.184
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: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1188.423101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.423101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.423101 (E_RNA)
where:
Base-Base interactions energy: -710.196
where: short stacking energy: -332.392
Base-Backbone interact. energy: 0.113
local terms energy: -478.340282
where:
bonds (distance) C4'-P energy: -124.967
bonds (distance) P-C4' energy: -105.225
flat angles C4'-P-C4' energy: -134.320
flat angles P-C4'-P energy: -71.953
tors. eta vs tors. theta energy: -41.875
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: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1105.052166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.052166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.052166 (E_RNA)
where:
Base-Base interactions energy: -651.344
where: short stacking energy: -313.588
Base-Backbone interact. energy: -0.933
local terms energy: -452.774876
where:
bonds (distance) C4'-P energy: -114.580
bonds (distance) P-C4' energy: -109.288
flat angles C4'-P-C4' energy: -131.043
flat angles P-C4'-P energy: -63.913
tors. eta vs tors. theta energy: -33.951
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: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -734.309936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.309936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.309936 (E_RNA)
where:
Base-Base interactions energy: -363.911
where: short stacking energy: -201.986
Base-Backbone interact. energy: -0.209
local terms energy: -370.189931
where:
bonds (distance) C4'-P energy: -102.991
bonds (distance) P-C4' energy: -118.903
flat angles C4'-P-C4' energy: -117.017
flat angles P-C4'-P energy: -48.136
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: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2338.640894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.640894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.640894 (E_RNA)
where:
Base-Base interactions energy: -1594.180
where: short stacking energy: -687.149
Base-Backbone interact. energy: -5.027
local terms energy: -739.434066
where:
bonds (distance) C4'-P energy: -144.154
bonds (distance) P-C4' energy: -154.658
flat angles C4'-P-C4' energy: -155.928
flat angles P-C4'-P energy: -98.254
tors. eta vs tors. theta energy: -186.440
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: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2385.955657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.955657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.955657 (E_RNA)
where:
Base-Base interactions energy: -1609.978
where: short stacking energy: -685.062
Base-Backbone interact. energy: -0.805
local terms energy: -775.173174
where:
bonds (distance) C4'-P energy: -152.914
bonds (distance) P-C4' energy: -152.848
flat angles C4'-P-C4' energy: -158.657
flat angles P-C4'-P energy: -110.880
tors. eta vs tors. theta energy: -199.874
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: 83
Temperature: 1.000000
Total energy: -2209.406503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.406503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.406503 (E_RNA)
where:
Base-Base interactions energy: -1514.206
where: short stacking energy: -661.106
Base-Backbone interact. energy: -3.280
local terms energy: -691.920973
where:
bonds (distance) C4'-P energy: -132.971
bonds (distance) P-C4' energy: -139.733
flat angles C4'-P-C4' energy: -157.222
flat angles P-C4'-P energy: -85.404
tors. eta vs tors. theta energy: -176.591
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: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2104.337396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.337396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.337396 (E_RNA)
where:
Base-Base interactions energy: -1383.439
where: short stacking energy: -625.377
Base-Backbone interact. energy: -1.923
local terms energy: -718.975345
where:
bonds (distance) C4'-P energy: -148.209
bonds (distance) P-C4' energy: -144.230
flat angles C4'-P-C4' energy: -144.820
flat angles P-C4'-P energy: -97.554
tors. eta vs tors. theta energy: -184.164
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1833.435723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.435723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.435723 (E_RNA)
where:
Base-Base interactions energy: -1222.682
where: short stacking energy: -529.680
Base-Backbone interact. energy: -2.243
local terms energy: -608.510783
where:
bonds (distance) C4'-P energy: -111.282
bonds (distance) P-C4' energy: -126.697
flat angles C4'-P-C4' energy: -152.568
flat angles P-C4'-P energy: -95.170
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: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1767.360878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.360878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.360878 (E_RNA)
where:
Base-Base interactions energy: -1177.002
where: short stacking energy: -508.263
Base-Backbone interact. energy: -1.105
local terms energy: -589.254739
where:
bonds (distance) C4'-P energy: -124.022
bonds (distance) P-C4' energy: -126.578
flat angles C4'-P-C4' energy: -137.483
flat angles P-C4'-P energy: -81.575
tors. eta vs tors. theta energy: -119.597
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: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1487.157741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.157741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.157741 (E_RNA)
where:
Base-Base interactions energy: -955.196
where: short stacking energy: -413.091
Base-Backbone interact. energy: 0.507
local terms energy: -532.468924
where:
bonds (distance) C4'-P energy: -127.990
bonds (distance) P-C4' energy: -133.075
flat angles C4'-P-C4' energy: -126.026
flat angles P-C4'-P energy: -55.965
tors. eta vs tors. theta energy: -89.412
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: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1280.299645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.299645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.299645 (E_RNA)
where:
Base-Base interactions energy: -792.585
where: short stacking energy: -355.391
Base-Backbone interact. energy: -2.851
local terms energy: -484.863759
where:
bonds (distance) C4'-P energy: -114.062
bonds (distance) P-C4' energy: -120.507
flat angles C4'-P-C4' energy: -114.960
flat angles P-C4'-P energy: -79.093
tors. eta vs tors. theta energy: -56.243
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: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1138.904926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.904926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.904926 (E_RNA)
where:
Base-Base interactions energy: -694.602
where: short stacking energy: -333.260
Base-Backbone interact. energy: -0.905
local terms energy: -443.397844
where:
bonds (distance) C4'-P energy: -127.276
bonds (distance) P-C4' energy: -116.728
flat angles C4'-P-C4' energy: -109.899
flat angles P-C4'-P energy: -58.468
tors. eta vs tors. theta energy: -31.026
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: 83
Temperature: 1.350000
Total energy: -766.285231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.285231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.285231 (E_RNA)
where:
Base-Base interactions energy: -383.898
where: short stacking energy: -206.466
Base-Backbone interact. energy: 0.771
local terms energy: -383.157613
where:
bonds (distance) C4'-P energy: -101.998
bonds (distance) P-C4' energy: -120.835
flat angles C4'-P-C4' energy: -111.682
flat angles P-C4'-P energy: -54.581
tors. eta vs tors. theta energy: 5.938
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: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2447.182357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.182357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.182357 (E_RNA)
where:
Base-Base interactions energy: -1678.633
where: short stacking energy: -705.738
Base-Backbone interact. energy: 0.279
local terms energy: -768.828109
where:
bonds (distance) C4'-P energy: -149.566
bonds (distance) P-C4' energy: -140.052
flat angles C4'-P-C4' energy: -163.660
flat angles P-C4'-P energy: -117.434
tors. eta vs tors. theta energy: -198.116
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2298.316699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.316699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.316699 (E_RNA)
where:
Base-Base interactions energy: -1567.919
where: short stacking energy: -683.886
Base-Backbone interact. energy: -6.013
local terms energy: -724.385042
where:
bonds (distance) C4'-P energy: -139.793
bonds (distance) P-C4' energy: -148.575
flat angles C4'-P-C4' energy: -150.254
flat angles P-C4'-P energy: -99.785
tors. eta vs tors. theta energy: -185.979
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: 84
Temperature: 1.000000
Total energy: -2233.854407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.854407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.854407 (E_RNA)
where:
Base-Base interactions energy: -1518.411
where: short stacking energy: -642.895
Base-Backbone interact. energy: -2.503
local terms energy: -712.940735
where:
bonds (distance) C4'-P energy: -153.505
bonds (distance) P-C4' energy: -136.556
flat angles C4'-P-C4' energy: -154.994
flat angles P-C4'-P energy: -89.392
tors. eta vs tors. theta energy: -178.493
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: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2110.156846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.156846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.156846 (E_RNA)
where:
Base-Base interactions energy: -1424.826
where: short stacking energy: -631.166
Base-Backbone interact. energy: -3.860
local terms energy: -681.471510
where:
bonds (distance) C4'-P energy: -132.772
bonds (distance) P-C4' energy: -128.578
flat angles C4'-P-C4' energy: -141.556
flat angles P-C4'-P energy: -103.338
tors. eta vs tors. theta energy: -175.227
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: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1835.283976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.283976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.283976 (E_RNA)
where:
Base-Base interactions energy: -1208.822
where: short stacking energy: -505.284
Base-Backbone interact. energy: -3.980
local terms energy: -622.482408
where:
bonds (distance) C4'-P energy: -124.121
bonds (distance) P-C4' energy: -146.117
flat angles C4'-P-C4' energy: -143.091
flat angles P-C4'-P energy: -72.528
tors. eta vs tors. theta energy: -136.625
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: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1825.019746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.019746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.019746 (E_RNA)
where:
Base-Base interactions energy: -1210.590
where: short stacking energy: -520.416
Base-Backbone interact. energy: -0.836
local terms energy: -613.593567
where:
bonds (distance) C4'-P energy: -124.865
bonds (distance) P-C4' energy: -128.996
flat angles C4'-P-C4' energy: -135.338
flat angles P-C4'-P energy: -89.671
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: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1548.218364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.218364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.218364 (E_RNA)
where:
Base-Base interactions energy: -966.203
where: short stacking energy: -465.696
Base-Backbone interact. energy: -4.676
local terms energy: -577.338799
where:
bonds (distance) C4'-P energy: -120.961
bonds (distance) P-C4' energy: -140.116
flat angles C4'-P-C4' energy: -134.680
flat angles P-C4'-P energy: -80.796
tors. eta vs tors. theta energy: -100.786
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: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1315.132319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.132319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.132319 (E_RNA)
where:
Base-Base interactions energy: -827.233
where: short stacking energy: -374.267
Base-Backbone interact. energy: -0.691
local terms energy: -487.208357
where:
bonds (distance) C4'-P energy: -105.641
bonds (distance) P-C4' energy: -121.006
flat angles C4'-P-C4' energy: -104.009
flat angles P-C4'-P energy: -82.146
tors. eta vs tors. theta energy: -74.407
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1049.783428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.783428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.783428 (E_RNA)
where:
Base-Base interactions energy: -609.513
where: short stacking energy: -278.972
Base-Backbone interact. energy: 3.897
local terms energy: -444.167819
where:
bonds (distance) C4'-P energy: -138.518
bonds (distance) P-C4' energy: -127.748
flat angles C4'-P-C4' energy: -116.388
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -15.400
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: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -778.359211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.359211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.359211 (E_RNA)
where:
Base-Base interactions energy: -379.413
where: short stacking energy: -211.255
Base-Backbone interact. energy: -2.292
local terms energy: -396.654076
where:
bonds (distance) C4'-P energy: -111.317
bonds (distance) P-C4' energy: -107.459
flat angles C4'-P-C4' energy: -111.457
flat angles P-C4'-P energy: -63.701
tors. eta vs tors. theta energy: -2.719
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: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2451.311962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.311962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.311962 (E_RNA)
where:
Base-Base interactions energy: -1681.280
where: short stacking energy: -705.996
Base-Backbone interact. energy: 3.571
local terms energy: -773.603220
where:
bonds (distance) C4'-P energy: -150.693
bonds (distance) P-C4' energy: -145.451
flat angles C4'-P-C4' energy: -173.308
flat angles P-C4'-P energy: -110.783
tors. eta vs tors. theta energy: -193.368
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: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2277.520560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.520560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.520560 (E_RNA)
where:
Base-Base interactions energy: -1557.930
where: short stacking energy: -627.278
Base-Backbone interact. energy: -4.324
local terms energy: -715.265826
where:
bonds (distance) C4'-P energy: -128.466
bonds (distance) P-C4' energy: -142.122
flat angles C4'-P-C4' energy: -170.060
flat angles P-C4'-P energy: -96.089
tors. eta vs tors. theta energy: -178.529
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: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2176.456752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.456752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.456752 (E_RNA)
where:
Base-Base interactions energy: -1499.327
where: short stacking energy: -648.955
Base-Backbone interact. energy: -2.955
local terms energy: -674.175099
where:
bonds (distance) C4'-P energy: -128.087
bonds (distance) P-C4' energy: -130.205
flat angles C4'-P-C4' energy: -146.715
flat angles P-C4'-P energy: -93.281
tors. eta vs tors. theta energy: -175.887
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: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2091.162242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.162242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.162242 (E_RNA)
where:
Base-Base interactions energy: -1405.020
where: short stacking energy: -618.151
Base-Backbone interact. energy: -5.250
local terms energy: -680.892077
where:
bonds (distance) C4'-P energy: -129.874
bonds (distance) P-C4' energy: -138.367
flat angles C4'-P-C4' energy: -149.092
flat angles P-C4'-P energy: -106.698
tors. eta vs tors. theta energy: -156.862
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: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1890.970416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.970416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.970416 (E_RNA)
where:
Base-Base interactions energy: -1256.119
where: short stacking energy: -563.184
Base-Backbone interact. energy: -0.949
local terms energy: -633.902239
where:
bonds (distance) C4'-P energy: -123.342
bonds (distance) P-C4' energy: -143.459
flat angles C4'-P-C4' energy: -141.491
flat angles P-C4'-P energy: -82.354
tors. eta vs tors. theta energy: -143.256
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: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1873.279813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.279813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.279813 (E_RNA)
where:
Base-Base interactions energy: -1274.375
where: short stacking energy: -568.114
Base-Backbone interact. energy: -1.336
local terms energy: -597.569449
where:
bonds (distance) C4'-P energy: -122.007
bonds (distance) P-C4' energy: -120.076
flat angles C4'-P-C4' energy: -147.431
flat angles P-C4'-P energy: -70.533
tors. eta vs tors. theta energy: -137.523
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: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1503.285382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.285382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.285382 (E_RNA)
where:
Base-Base interactions energy: -950.385
where: short stacking energy: -432.806
Base-Backbone interact. energy: -1.257
local terms energy: -551.643222
where:
bonds (distance) C4'-P energy: -112.722
bonds (distance) P-C4' energy: -118.679
flat angles C4'-P-C4' energy: -123.872
flat angles P-C4'-P energy: -94.757
tors. eta vs tors. theta energy: -101.613
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1327.443974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.443974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.443974 (E_RNA)
where:
Base-Base interactions energy: -852.643
where: short stacking energy: -421.938
Base-Backbone interact. energy: -0.465
local terms energy: -474.335395
where:
bonds (distance) C4'-P energy: -111.844
bonds (distance) P-C4' energy: -116.190
flat angles C4'-P-C4' energy: -108.109
flat angles P-C4'-P energy: -64.990
tors. eta vs tors. theta energy: -73.202
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: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1029.240269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.240269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.240269 (E_RNA)
where:
Base-Base interactions energy: -565.771
where: short stacking energy: -251.966
Base-Backbone interact. energy: -3.529
local terms energy: -459.940121
where:
bonds (distance) C4'-P energy: -121.465
bonds (distance) P-C4' energy: -117.498
flat angles C4'-P-C4' energy: -120.358
flat angles P-C4'-P energy: -73.733
tors. eta vs tors. theta energy: -26.886
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: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -771.884288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.884288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.884288 (E_RNA)
where:
Base-Base interactions energy: -387.556
where: short stacking energy: -230.429
Base-Backbone interact. energy: 4.763
local terms energy: -389.092040
where:
bonds (distance) C4'-P energy: -105.115
bonds (distance) P-C4' energy: -122.948
flat angles C4'-P-C4' energy: -95.801
flat angles P-C4'-P energy: -53.028
tors. eta vs tors. theta energy: -12.200
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: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2458.823112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.823112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.823112 (E_RNA)
where:
Base-Base interactions energy: -1677.486
where: short stacking energy: -717.006
Base-Backbone interact. energy: -3.052
local terms energy: -778.284967
where:
bonds (distance) C4'-P energy: -133.833
bonds (distance) P-C4' energy: -152.634
flat angles C4'-P-C4' energy: -172.654
flat angles P-C4'-P energy: -119.847
tors. eta vs tors. theta energy: -199.318
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: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2268.680313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.680313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.680313 (E_RNA)
where:
Base-Base interactions energy: -1553.153
where: short stacking energy: -674.740
Base-Backbone interact. energy: -2.339
local terms energy: -713.188808
where:
bonds (distance) C4'-P energy: -133.528
bonds (distance) P-C4' energy: -137.985
flat angles C4'-P-C4' energy: -153.339
flat angles P-C4'-P energy: -111.504
tors. eta vs tors. theta energy: -176.832
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: 86
Temperature: 1.000000
Total energy: -2153.947204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.947204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.947204 (E_RNA)
where:
Base-Base interactions energy: -1448.914
where: short stacking energy: -628.764
Base-Backbone interact. energy: -3.707
local terms energy: -701.326333
where:
bonds (distance) C4'-P energy: -129.351
bonds (distance) P-C4' energy: -136.666
flat angles C4'-P-C4' energy: -167.872
flat angles P-C4'-P energy: -95.516
tors. eta vs tors. theta energy: -171.921
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: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2144.367276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.367276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.367276 (E_RNA)
where:
Base-Base interactions energy: -1454.576
where: short stacking energy: -646.143
Base-Backbone interact. energy: -5.312
local terms energy: -684.479433
where:
bonds (distance) C4'-P energy: -143.124
bonds (distance) P-C4' energy: -141.687
flat angles C4'-P-C4' energy: -141.991
flat angles P-C4'-P energy: -85.252
tors. eta vs tors. theta energy: -172.425
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: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1924.254303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.254303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.254303 (E_RNA)
where:
Base-Base interactions energy: -1309.653
where: short stacking energy: -571.122
Base-Backbone interact. energy: 0.449
local terms energy: -615.050342
where:
bonds (distance) C4'-P energy: -110.541
bonds (distance) P-C4' energy: -136.820
flat angles C4'-P-C4' energy: -122.799
flat angles P-C4'-P energy: -88.752
tors. eta vs tors. theta energy: -156.138
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: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1848.947341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.947341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.947341 (E_RNA)
where:
Base-Base interactions energy: -1252.383
where: short stacking energy: -549.917
Base-Backbone interact. energy: 4.627
local terms energy: -601.191033
where:
bonds (distance) C4'-P energy: -134.700
bonds (distance) P-C4' energy: -123.334
flat angles C4'-P-C4' energy: -131.490
flat angles P-C4'-P energy: -80.185
tors. eta vs tors. theta energy: -131.482
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: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1531.278240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.278240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.278240 (E_RNA)
where:
Base-Base interactions energy: -980.063
where: short stacking energy: -452.206
Base-Backbone interact. energy: 4.660
local terms energy: -555.875500
where:
bonds (distance) C4'-P energy: -130.185
bonds (distance) P-C4' energy: -128.305
flat angles C4'-P-C4' energy: -114.788
flat angles P-C4'-P energy: -77.578
tors. eta vs tors. theta energy: -105.019
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: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1316.135029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.135029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.135029 (E_RNA)
where:
Base-Base interactions energy: -792.473
where: short stacking energy: -360.857
Base-Backbone interact. energy: 4.805
local terms energy: -528.467358
where:
bonds (distance) C4'-P energy: -123.992
bonds (distance) P-C4' energy: -138.510
flat angles C4'-P-C4' energy: -120.808
flat angles P-C4'-P energy: -76.997
tors. eta vs tors. theta energy: -68.160
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: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1030.571441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.571441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.571441 (E_RNA)
where:
Base-Base interactions energy: -598.568
where: short stacking energy: -299.837
Base-Backbone interact. energy: 1.851
local terms energy: -433.854349
where:
bonds (distance) C4'-P energy: -118.528
bonds (distance) P-C4' energy: -123.360
flat angles C4'-P-C4' energy: -103.143
flat angles P-C4'-P energy: -66.312
tors. eta vs tors. theta energy: -22.511
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: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -764.087081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.087081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.087081 (E_RNA)
where:
Base-Base interactions energy: -364.466
where: short stacking energy: -205.518
Base-Backbone interact. energy: 1.744
local terms energy: -401.365114
where:
bonds (distance) C4'-P energy: -100.471
bonds (distance) P-C4' energy: -123.168
flat angles C4'-P-C4' energy: -110.585
flat angles P-C4'-P energy: -60.448
tors. eta vs tors. theta energy: -6.693
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: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2477.680713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.680713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.680713 (E_RNA)
where:
Base-Base interactions energy: -1697.673
where: short stacking energy: -738.526
Base-Backbone interact. energy: -3.959
local terms energy: -776.048870
where:
bonds (distance) C4'-P energy: -136.214
bonds (distance) P-C4' energy: -156.654
flat angles C4'-P-C4' energy: -165.475
flat angles P-C4'-P energy: -108.122
tors. eta vs tors. theta energy: -209.584
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: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2300.992968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.992968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.992968 (E_RNA)
where:
Base-Base interactions energy: -1569.543
where: short stacking energy: -672.288
Base-Backbone interact. energy: -2.945
local terms energy: -728.504713
where:
bonds (distance) C4'-P energy: -135.831
bonds (distance) P-C4' energy: -158.001
flat angles C4'-P-C4' energy: -163.468
flat angles P-C4'-P energy: -97.012
tors. eta vs tors. theta energy: -174.192
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: 87
Temperature: 1.000000
Total energy: -2133.068142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.068142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.068142 (E_RNA)
where:
Base-Base interactions energy: -1441.354
where: short stacking energy: -620.158
Base-Backbone interact. energy: -1.982
local terms energy: -689.731842
where:
bonds (distance) C4'-P energy: -141.015
bonds (distance) P-C4' energy: -140.289
flat angles C4'-P-C4' energy: -155.372
flat angles P-C4'-P energy: -84.359
tors. eta vs tors. theta energy: -168.698
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: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2176.500098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.500098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.500098 (E_RNA)
where:
Base-Base interactions energy: -1476.090
where: short stacking energy: -667.399
Base-Backbone interact. energy: -7.046
local terms energy: -693.363971
where:
bonds (distance) C4'-P energy: -131.047
bonds (distance) P-C4' energy: -145.720
flat angles C4'-P-C4' energy: -155.096
flat angles P-C4'-P energy: -105.734
tors. eta vs tors. theta energy: -155.767
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1870.898926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.898926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.898926 (E_RNA)
where:
Base-Base interactions energy: -1243.827
where: short stacking energy: -542.265
Base-Backbone interact. energy: 2.673
local terms energy: -629.745254
where:
bonds (distance) C4'-P energy: -124.976
bonds (distance) P-C4' energy: -129.014
flat angles C4'-P-C4' energy: -142.833
flat angles P-C4'-P energy: -99.997
tors. eta vs tors. theta energy: -132.925
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: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1788.896767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.896767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.896767 (E_RNA)
where:
Base-Base interactions energy: -1192.936
where: short stacking energy: -512.503
Base-Backbone interact. energy: -3.863
local terms energy: -592.098247
where:
bonds (distance) C4'-P energy: -126.053
bonds (distance) P-C4' energy: -120.286
flat angles C4'-P-C4' energy: -129.792
flat angles P-C4'-P energy: -91.308
tors. eta vs tors. theta energy: -124.659
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: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1586.948056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.948056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.948056 (E_RNA)
where:
Base-Base interactions energy: -1014.586
where: short stacking energy: -486.240
Base-Backbone interact. energy: 1.369
local terms energy: -573.731012
where:
bonds (distance) C4'-P energy: -112.784
bonds (distance) P-C4' energy: -121.505
flat angles C4'-P-C4' energy: -135.159
flat angles P-C4'-P energy: -80.603
tors. eta vs tors. theta energy: -123.680
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: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1307.508449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.508449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.508449 (E_RNA)
where:
Base-Base interactions energy: -807.779
where: short stacking energy: -413.207
Base-Backbone interact. energy: 5.885
local terms energy: -505.614238
where:
bonds (distance) C4'-P energy: -113.604
bonds (distance) P-C4' energy: -129.621
flat angles C4'-P-C4' energy: -113.291
flat angles P-C4'-P energy: -55.256
tors. eta vs tors. theta energy: -93.843
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: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1063.609339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.609339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.609339 (E_RNA)
where:
Base-Base interactions energy: -624.481
where: short stacking energy: -306.999
Base-Backbone interact. energy: -1.192
local terms energy: -437.936794
where:
bonds (distance) C4'-P energy: -109.897
bonds (distance) P-C4' energy: -120.520
flat angles C4'-P-C4' energy: -110.895
flat angles P-C4'-P energy: -75.795
tors. eta vs tors. theta energy: -20.830
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: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -846.334416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.334416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.334416 (E_RNA)
where:
Base-Base interactions energy: -441.140
where: short stacking energy: -236.432
Base-Backbone interact. energy: 0.704
local terms energy: -405.897774
where:
bonds (distance) C4'-P energy: -110.955
bonds (distance) P-C4' energy: -111.395
flat angles C4'-P-C4' energy: -113.552
flat angles P-C4'-P energy: -60.162
tors. eta vs tors. theta energy: -9.834
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: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2470.062003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.062003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.062003 (E_RNA)
where:
Base-Base interactions energy: -1690.866
where: short stacking energy: -707.827
Base-Backbone interact. energy: -1.831
local terms energy: -777.365444
where:
bonds (distance) C4'-P energy: -152.153
bonds (distance) P-C4' energy: -150.532
flat angles C4'-P-C4' energy: -171.915
flat angles P-C4'-P energy: -114.780
tors. eta vs tors. theta energy: -187.986
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: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2324.214599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.214599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.214599 (E_RNA)
where:
Base-Base interactions energy: -1587.135
where: short stacking energy: -666.174
Base-Backbone interact. energy: -3.549
local terms energy: -733.530892
where:
bonds (distance) C4'-P energy: -156.453
bonds (distance) P-C4' energy: -138.247
flat angles C4'-P-C4' energy: -161.918
flat angles P-C4'-P energy: -95.582
tors. eta vs tors. theta energy: -181.331
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: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2098.028047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.028047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.028047 (E_RNA)
where:
Base-Base interactions energy: -1443.526
where: short stacking energy: -603.407
Base-Backbone interact. energy: -5.761
local terms energy: -648.741105
where:
bonds (distance) C4'-P energy: -129.045
bonds (distance) P-C4' energy: -123.362
flat angles C4'-P-C4' energy: -166.681
flat angles P-C4'-P energy: -85.742
tors. eta vs tors. theta energy: -143.911
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: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2081.737618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.737618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.737618 (E_RNA)
where:
Base-Base interactions energy: -1403.904
where: short stacking energy: -635.736
Base-Backbone interact. energy: 0.170
local terms energy: -678.003432
where:
bonds (distance) C4'-P energy: -130.043
bonds (distance) P-C4' energy: -121.233
flat angles C4'-P-C4' energy: -156.598
flat angles P-C4'-P energy: -100.931
tors. eta vs tors. theta energy: -169.198
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1900.492237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.492237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.492237 (E_RNA)
where:
Base-Base interactions energy: -1287.189
where: short stacking energy: -583.475
Base-Backbone interact. energy: 2.724
local terms energy: -616.026530
where:
bonds (distance) C4'-P energy: -130.444
bonds (distance) P-C4' energy: -120.383
flat angles C4'-P-C4' energy: -159.248
flat angles P-C4'-P energy: -76.325
tors. eta vs tors. theta energy: -129.626
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: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1796.197558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.197558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.197558 (E_RNA)
where:
Base-Base interactions energy: -1170.505
where: short stacking energy: -537.035
Base-Backbone interact. energy: 1.158
local terms energy: -626.850344
where:
bonds (distance) C4'-P energy: -126.729
bonds (distance) P-C4' energy: -139.855
flat angles C4'-P-C4' energy: -139.702
flat angles P-C4'-P energy: -74.887
tors. eta vs tors. theta energy: -145.678
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: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1522.393338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.393338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.393338 (E_RNA)
where:
Base-Base interactions energy: -965.650
where: short stacking energy: -459.249
Base-Backbone interact. energy: -3.865
local terms energy: -552.878954
where:
bonds (distance) C4'-P energy: -110.059
bonds (distance) P-C4' energy: -145.755
flat angles C4'-P-C4' energy: -132.346
flat angles P-C4'-P energy: -69.623
tors. eta vs tors. theta energy: -95.095
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: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1283.866948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.866948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.866948 (E_RNA)
where:
Base-Base interactions energy: -782.812
where: short stacking energy: -379.772
Base-Backbone interact. energy: -0.388
local terms energy: -500.666824
where:
bonds (distance) C4'-P energy: -113.951
bonds (distance) P-C4' energy: -122.677
flat angles C4'-P-C4' energy: -115.610
flat angles P-C4'-P energy: -87.466
tors. eta vs tors. theta energy: -60.963
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: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1095.354915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.354915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.354915 (E_RNA)
where:
Base-Base interactions energy: -673.337
where: short stacking energy: -334.373
Base-Backbone interact. energy: 0.961
local terms energy: -422.978771
where:
bonds (distance) C4'-P energy: -104.337
bonds (distance) P-C4' energy: -121.234
flat angles C4'-P-C4' energy: -78.532
flat angles P-C4'-P energy: -72.460
tors. eta vs tors. theta energy: -46.417
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: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -825.364744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.364744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.364744 (E_RNA)
where:
Base-Base interactions energy: -398.317
where: short stacking energy: -227.725
Base-Backbone interact. energy: 0.711
local terms energy: -427.759017
where:
bonds (distance) C4'-P energy: -118.550
bonds (distance) P-C4' energy: -126.573
flat angles C4'-P-C4' energy: -109.650
flat angles P-C4'-P energy: -63.972
tors. eta vs tors. theta energy: -9.015
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: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2473.940941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.940941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.940941 (E_RNA)
where:
Base-Base interactions energy: -1683.529
where: short stacking energy: -700.058
Base-Backbone interact. energy: -3.962
local terms energy: -786.449832
where:
bonds (distance) C4'-P energy: -148.529
bonds (distance) P-C4' energy: -162.981
flat angles C4'-P-C4' energy: -163.422
flat angles P-C4'-P energy: -113.958
tors. eta vs tors. theta energy: -197.560
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: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2312.389224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.389224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.389224 (E_RNA)
where:
Base-Base interactions energy: -1562.310
where: short stacking energy: -665.515
Base-Backbone interact. energy: 1.512
local terms energy: -751.590862
where:
bonds (distance) C4'-P energy: -137.206
bonds (distance) P-C4' energy: -151.064
flat angles C4'-P-C4' energy: -160.222
flat angles P-C4'-P energy: -110.820
tors. eta vs tors. theta energy: -192.278
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: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2091.428019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.428019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.428019 (E_RNA)
where:
Base-Base interactions energy: -1409.593
where: short stacking energy: -601.920
Base-Backbone interact. energy: -2.314
local terms energy: -679.521068
where:
bonds (distance) C4'-P energy: -136.692
bonds (distance) P-C4' energy: -124.895
flat angles C4'-P-C4' energy: -148.996
flat angles P-C4'-P energy: -102.314
tors. eta vs tors. theta energy: -166.624
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: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2123.452943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.452943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.452943 (E_RNA)
where:
Base-Base interactions energy: -1436.575
where: short stacking energy: -651.689
Base-Backbone interact. energy: -2.133
local terms energy: -684.745259
where:
bonds (distance) C4'-P energy: -119.741
bonds (distance) P-C4' energy: -147.581
flat angles C4'-P-C4' energy: -144.972
flat angles P-C4'-P energy: -95.622
tors. eta vs tors. theta energy: -176.829
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1918.077572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.077572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.077572 (E_RNA)
where:
Base-Base interactions energy: -1268.903
where: short stacking energy: -583.107
Base-Backbone interact. energy: -2.453
local terms energy: -646.721648
where:
bonds (distance) C4'-P energy: -119.064
bonds (distance) P-C4' energy: -136.918
flat angles C4'-P-C4' energy: -149.832
flat angles P-C4'-P energy: -86.211
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: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1776.917064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.917064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.917064 (E_RNA)
where:
Base-Base interactions energy: -1180.778
where: short stacking energy: -504.907
Base-Backbone interact. energy: -0.766
local terms energy: -595.372946
where:
bonds (distance) C4'-P energy: -128.379
bonds (distance) P-C4' energy: -114.101
flat angles C4'-P-C4' energy: -133.003
flat angles P-C4'-P energy: -88.599
tors. eta vs tors. theta energy: -131.291
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: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1475.637268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.637268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.637268 (E_RNA)
where:
Base-Base interactions energy: -924.044
where: short stacking energy: -445.630
Base-Backbone interact. energy: 0.667
local terms energy: -552.260039
where:
bonds (distance) C4'-P energy: -124.194
bonds (distance) P-C4' energy: -144.963
flat angles C4'-P-C4' energy: -99.361
flat angles P-C4'-P energy: -86.247
tors. eta vs tors. theta energy: -97.495
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: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1230.281027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.281027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.281027 (E_RNA)
where:
Base-Base interactions energy: -689.812
where: short stacking energy: -363.184
Base-Backbone interact. energy: -0.226
local terms energy: -540.243820
where:
bonds (distance) C4'-P energy: -130.340
bonds (distance) P-C4' energy: -134.829
flat angles C4'-P-C4' energy: -116.202
flat angles P-C4'-P energy: -85.360
tors. eta vs tors. theta energy: -73.513
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: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -947.960792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.960792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.960792 (E_RNA)
where:
Base-Base interactions energy: -560.454
where: short stacking energy: -279.351
Base-Backbone interact. energy: 0.647
local terms energy: -388.154142
where:
bonds (distance) C4'-P energy: -117.288
bonds (distance) P-C4' energy: -117.555
flat angles C4'-P-C4' energy: -81.324
flat angles P-C4'-P energy: -45.996
tors. eta vs tors. theta energy: -25.991
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: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -810.452243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.452243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.452243 (E_RNA)
where:
Base-Base interactions energy: -420.244
where: short stacking energy: -245.590
Base-Backbone interact. energy: 0.002
local terms energy: -390.209742
where:
bonds (distance) C4'-P energy: -114.923
bonds (distance) P-C4' energy: -107.915
flat angles C4'-P-C4' energy: -111.354
flat angles P-C4'-P energy: -62.604
tors. eta vs tors. theta energy: 6.585
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: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2492.912637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.912637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.912637 (E_RNA)
where:
Base-Base interactions energy: -1708.182
where: short stacking energy: -725.288
Base-Backbone interact. energy: -5.110
local terms energy: -779.620725
where:
bonds (distance) C4'-P energy: -149.278
bonds (distance) P-C4' energy: -145.716
flat angles C4'-P-C4' energy: -158.269
flat angles P-C4'-P energy: -120.581
tors. eta vs tors. theta energy: -205.777
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: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2304.541806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.541806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.541806 (E_RNA)
where:
Base-Base interactions energy: -1564.340
where: short stacking energy: -660.708
Base-Backbone interact. energy: -0.420
local terms energy: -739.781423
where:
bonds (distance) C4'-P energy: -146.871
bonds (distance) P-C4' energy: -132.136
flat angles C4'-P-C4' energy: -162.156
flat angles P-C4'-P energy: -112.474
tors. eta vs tors. theta energy: -186.143
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: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2245.282407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.282407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.282407 (E_RNA)
where:
Base-Base interactions energy: -1528.519
where: short stacking energy: -675.746
Base-Backbone interact. energy: -3.421
local terms energy: -713.342836
where:
bonds (distance) C4'-P energy: -138.182
bonds (distance) P-C4' energy: -128.076
flat angles C4'-P-C4' energy: -159.081
flat angles P-C4'-P energy: -102.562
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: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2072.800194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.800194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.800194 (E_RNA)
where:
Base-Base interactions energy: -1410.246
where: short stacking energy: -621.018
Base-Backbone interact. energy: -3.692
local terms energy: -658.861585
where:
bonds (distance) C4'-P energy: -117.657
bonds (distance) P-C4' energy: -137.116
flat angles C4'-P-C4' energy: -146.138
flat angles P-C4'-P energy: -85.201
tors. eta vs tors. theta energy: -172.749
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: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1897.602202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.602202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.602202 (E_RNA)
where:
Base-Base interactions energy: -1255.853
where: short stacking energy: -554.565
Base-Backbone interact. energy: -2.196
local terms energy: -639.552671
where:
bonds (distance) C4'-P energy: -140.454
bonds (distance) P-C4' energy: -125.840
flat angles C4'-P-C4' energy: -153.510
flat angles P-C4'-P energy: -81.231
tors. eta vs tors. theta energy: -138.517
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: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1797.638647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.638647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.638647 (E_RNA)
where:
Base-Base interactions energy: -1171.137
where: short stacking energy: -525.325
Base-Backbone interact. energy: -0.873
local terms energy: -625.628140
where:
bonds (distance) C4'-P energy: -122.257
bonds (distance) P-C4' energy: -127.941
flat angles C4'-P-C4' energy: -132.882
flat angles P-C4'-P energy: -103.723
tors. eta vs tors. theta energy: -138.826
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: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1463.454396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.454396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.454396 (E_RNA)
where:
Base-Base interactions energy: -944.920
where: short stacking energy: -436.955
Base-Backbone interact. energy: -0.207
local terms energy: -518.327046
where:
bonds (distance) C4'-P energy: -128.421
bonds (distance) P-C4' energy: -123.196
flat angles C4'-P-C4' energy: -105.193
flat angles P-C4'-P energy: -76.806
tors. eta vs tors. theta energy: -84.710
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: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1237.360263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.360263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.360263 (E_RNA)
where:
Base-Base interactions energy: -760.964
where: short stacking energy: -337.687
Base-Backbone interact. energy: -1.853
local terms energy: -474.543070
where:
bonds (distance) C4'-P energy: -105.782
bonds (distance) P-C4' energy: -119.572
flat angles C4'-P-C4' energy: -120.033
flat angles P-C4'-P energy: -83.033
tors. eta vs tors. theta energy: -46.123
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: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1032.964317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.964317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.964317 (E_RNA)
where:
Base-Base interactions energy: -595.189
where: short stacking energy: -286.344
Base-Backbone interact. energy: -3.147
local terms energy: -434.629277
where:
bonds (distance) C4'-P energy: -115.508
bonds (distance) P-C4' energy: -119.567
flat angles C4'-P-C4' energy: -104.072
flat angles P-C4'-P energy: -64.173
tors. eta vs tors. theta energy: -31.309
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: 90
Temperature: 1.350000
Total energy: -809.414635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.414635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.414635 (E_RNA)
where:
Base-Base interactions energy: -409.603
where: short stacking energy: -219.128
Base-Backbone interact. energy: 0.974
local terms energy: -400.785738
where:
bonds (distance) C4'-P energy: -124.495
bonds (distance) P-C4' energy: -121.154
flat angles C4'-P-C4' energy: -106.525
flat angles P-C4'-P energy: -47.680
tors. eta vs tors. theta energy: -0.931
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: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2474.003715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.003715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.003715 (E_RNA)
where:
Base-Base interactions energy: -1718.554
where: short stacking energy: -719.614
Base-Backbone interact. energy: -3.301
local terms energy: -752.149171
where:
bonds (distance) C4'-P energy: -143.085
bonds (distance) P-C4' energy: -140.956
flat angles C4'-P-C4' energy: -166.202
flat angles P-C4'-P energy: -102.533
tors. eta vs tors. theta energy: -199.373
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: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2323.705356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.705356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.705356 (E_RNA)
where:
Base-Base interactions energy: -1617.644
where: short stacking energy: -683.493
Base-Backbone interact. energy: -3.099
local terms energy: -702.962397
where:
bonds (distance) C4'-P energy: -134.234
bonds (distance) P-C4' energy: -134.908
flat angles C4'-P-C4' energy: -155.324
flat angles P-C4'-P energy: -95.453
tors. eta vs tors. theta energy: -183.044
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: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2223.008786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.008786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.008786 (E_RNA)
where:
Base-Base interactions energy: -1495.473
where: short stacking energy: -706.064
Base-Backbone interact. energy: -4.196
local terms energy: -723.338930
where:
bonds (distance) C4'-P energy: -134.464
bonds (distance) P-C4' energy: -135.371
flat angles C4'-P-C4' energy: -159.145
flat angles P-C4'-P energy: -98.135
tors. eta vs tors. theta energy: -196.224
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: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2043.316243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.316243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.316243 (E_RNA)
where:
Base-Base interactions energy: -1366.224
where: short stacking energy: -601.356
Base-Backbone interact. energy: 0.403
local terms energy: -677.495460
where:
bonds (distance) C4'-P energy: -119.944
bonds (distance) P-C4' energy: -138.291
flat angles C4'-P-C4' energy: -154.659
flat angles P-C4'-P energy: -90.696
tors. eta vs tors. theta energy: -173.905
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: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1909.216499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.216499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.216499 (E_RNA)
where:
Base-Base interactions energy: -1264.072
where: short stacking energy: -548.134
Base-Backbone interact. energy: -1.187
local terms energy: -643.956912
where:
bonds (distance) C4'-P energy: -136.356
bonds (distance) P-C4' energy: -123.638
flat angles C4'-P-C4' energy: -139.409
flat angles P-C4'-P energy: -99.246
tors. eta vs tors. theta energy: -145.307
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: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1784.687271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.687271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.687271 (E_RNA)
where:
Base-Base interactions energy: -1162.403
where: short stacking energy: -514.519
Base-Backbone interact. energy: -0.237
local terms energy: -622.047419
where:
bonds (distance) C4'-P energy: -120.946
bonds (distance) P-C4' energy: -137.565
flat angles C4'-P-C4' energy: -148.816
flat angles P-C4'-P energy: -78.659
tors. eta vs tors. theta energy: -136.061
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: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1541.421238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.421238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.421238 (E_RNA)
where:
Base-Base interactions energy: -950.752
where: short stacking energy: -440.911
Base-Backbone interact. energy: -4.028
local terms energy: -586.640821
where:
bonds (distance) C4'-P energy: -112.204
bonds (distance) P-C4' energy: -137.633
flat angles C4'-P-C4' energy: -138.572
flat angles P-C4'-P energy: -105.768
tors. eta vs tors. theta energy: -92.464
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: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1186.845861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.845861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.845861 (E_RNA)
where:
Base-Base interactions energy: -677.099
where: short stacking energy: -372.552
Base-Backbone interact. energy: -0.233
local terms energy: -509.513911
where:
bonds (distance) C4'-P energy: -123.321
bonds (distance) P-C4' energy: -122.974
flat angles C4'-P-C4' energy: -123.474
flat angles P-C4'-P energy: -66.813
tors. eta vs tors. theta energy: -72.932
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: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1073.961523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.961523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.961523 (E_RNA)
where:
Base-Base interactions energy: -642.225
where: short stacking energy: -309.205
Base-Backbone interact. energy: -3.957
local terms energy: -427.779187
where:
bonds (distance) C4'-P energy: -113.391
bonds (distance) P-C4' energy: -108.239
flat angles C4'-P-C4' energy: -123.771
flat angles P-C4'-P energy: -54.527
tors. eta vs tors. theta energy: -27.851
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: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -801.673879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.673879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.673879 (E_RNA)
where:
Base-Base interactions energy: -413.201
where: short stacking energy: -242.857
Base-Backbone interact. energy: 0.969
local terms energy: -389.442117
where:
bonds (distance) C4'-P energy: -98.939
bonds (distance) P-C4' energy: -138.574
flat angles C4'-P-C4' energy: -92.512
flat angles P-C4'-P energy: -62.965
tors. eta vs tors. theta energy: 3.549
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: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2423.765970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.765970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.765970 (E_RNA)
where:
Base-Base interactions energy: -1667.632
where: short stacking energy: -702.363
Base-Backbone interact. energy: -0.446
local terms energy: -755.688001
where:
bonds (distance) C4'-P energy: -142.171
bonds (distance) P-C4' energy: -152.462
flat angles C4'-P-C4' energy: -162.570
flat angles P-C4'-P energy: -107.132
tors. eta vs tors. theta energy: -191.353
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: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2365.527130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.527130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.527130 (E_RNA)
where:
Base-Base interactions energy: -1615.532
where: short stacking energy: -675.782
Base-Backbone interact. energy: -4.517
local terms energy: -745.478279
where:
bonds (distance) C4'-P energy: -132.962
bonds (distance) P-C4' energy: -158.359
flat angles C4'-P-C4' energy: -156.497
flat angles P-C4'-P energy: -114.455
tors. eta vs tors. theta energy: -183.206
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: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2293.105651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.105651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.105651 (E_RNA)
where:
Base-Base interactions energy: -1548.807
where: short stacking energy: -685.913
Base-Backbone interact. energy: -3.145
local terms energy: -741.153797
where:
bonds (distance) C4'-P energy: -133.031
bonds (distance) P-C4' energy: -139.838
flat angles C4'-P-C4' energy: -164.944
flat angles P-C4'-P energy: -102.575
tors. eta vs tors. theta energy: -200.765
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: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2039.234066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.234066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.234066 (E_RNA)
where:
Base-Base interactions energy: -1357.614
where: short stacking energy: -592.568
Base-Backbone interact. energy: 0.876
local terms energy: -682.495426
where:
bonds (distance) C4'-P energy: -132.767
bonds (distance) P-C4' energy: -148.759
flat angles C4'-P-C4' energy: -150.556
flat angles P-C4'-P energy: -96.311
tors. eta vs tors. theta energy: -154.102
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: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1900.008300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.008300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.008300 (E_RNA)
where:
Base-Base interactions energy: -1261.380
where: short stacking energy: -566.407
Base-Backbone interact. energy: 0.003
local terms energy: -638.631884
where:
bonds (distance) C4'-P energy: -137.210
bonds (distance) P-C4' energy: -116.712
flat angles C4'-P-C4' energy: -146.192
flat angles P-C4'-P energy: -88.630
tors. eta vs tors. theta energy: -149.887
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: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1685.870381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.870381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.870381 (E_RNA)
where:
Base-Base interactions energy: -1088.550
where: short stacking energy: -476.509
Base-Backbone interact. energy: -2.664
local terms energy: -594.656523
where:
bonds (distance) C4'-P energy: -126.004
bonds (distance) P-C4' energy: -122.530
flat angles C4'-P-C4' energy: -140.222
flat angles P-C4'-P energy: -79.539
tors. eta vs tors. theta energy: -126.362
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: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1585.936004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.936004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.936004 (E_RNA)
where:
Base-Base interactions energy: -992.780
where: short stacking energy: -492.058
Base-Backbone interact. energy: 1.335
local terms energy: -594.491666
where:
bonds (distance) C4'-P energy: -130.526
bonds (distance) P-C4' energy: -133.041
flat angles C4'-P-C4' energy: -140.784
flat angles P-C4'-P energy: -79.255
tors. eta vs tors. theta energy: -110.886
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: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1098.902052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.902052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.902052 (E_RNA)
where:
Base-Base interactions energy: -634.663
where: short stacking energy: -358.203
Base-Backbone interact. energy: -2.199
local terms energy: -462.040770
where:
bonds (distance) C4'-P energy: -118.632
bonds (distance) P-C4' energy: -125.262
flat angles C4'-P-C4' energy: -116.669
flat angles P-C4'-P energy: -59.809
tors. eta vs tors. theta energy: -41.669
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: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1063.079128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.079128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.079128 (E_RNA)
where:
Base-Base interactions energy: -612.934
where: short stacking energy: -320.096
Base-Backbone interact. energy: 2.377
local terms energy: -452.521209
where:
bonds (distance) C4'-P energy: -105.807
bonds (distance) P-C4' energy: -133.900
flat angles C4'-P-C4' energy: -97.780
flat angles P-C4'-P energy: -87.847
tors. eta vs tors. theta energy: -27.186
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: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -815.396018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.396018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.396018 (E_RNA)
where:
Base-Base interactions energy: -445.784
where: short stacking energy: -235.858
Base-Backbone interact. energy: -0.170
local terms energy: -369.442052
where:
bonds (distance) C4'-P energy: -98.242
bonds (distance) P-C4' energy: -111.386
flat angles C4'-P-C4' energy: -101.109
flat angles P-C4'-P energy: -65.527
tors. eta vs tors. theta energy: 6.822
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: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2423.791105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.791105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.791105 (E_RNA)
where:
Base-Base interactions energy: -1652.539
where: short stacking energy: -706.807
Base-Backbone interact. energy: 1.935
local terms energy: -773.186390
where:
bonds (distance) C4'-P energy: -152.774
bonds (distance) P-C4' energy: -149.209
flat angles C4'-P-C4' energy: -166.181
flat angles P-C4'-P energy: -118.721
tors. eta vs tors. theta energy: -186.300
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: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2347.587598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.587598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.587598 (E_RNA)
where:
Base-Base interactions energy: -1598.590
where: short stacking energy: -689.811
Base-Backbone interact. energy: -0.821
local terms energy: -748.177505
where:
bonds (distance) C4'-P energy: -141.218
bonds (distance) P-C4' energy: -139.202
flat angles C4'-P-C4' energy: -165.006
flat angles P-C4'-P energy: -118.865
tors. eta vs tors. theta energy: -183.886
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: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2267.902825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.902825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.902825 (E_RNA)
where:
Base-Base interactions energy: -1549.356
where: short stacking energy: -689.143
Base-Backbone interact. energy: -6.728
local terms energy: -711.818548
where:
bonds (distance) C4'-P energy: -122.440
bonds (distance) P-C4' energy: -138.352
flat angles C4'-P-C4' energy: -170.089
flat angles P-C4'-P energy: -104.367
tors. eta vs tors. theta energy: -176.570
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: 93
Temperature: 1.050000
Total energy: -2061.203147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.203147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.203147 (E_RNA)
where:
Base-Base interactions energy: -1374.839
where: short stacking energy: -600.766
Base-Backbone interact. energy: 3.884
local terms energy: -690.248711
where:
bonds (distance) C4'-P energy: -134.757
bonds (distance) P-C4' energy: -139.770
flat angles C4'-P-C4' energy: -156.630
flat angles P-C4'-P energy: -102.906
tors. eta vs tors. theta energy: -156.187
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: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1910.172075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.172075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.172075 (E_RNA)
where:
Base-Base interactions energy: -1261.185
where: short stacking energy: -553.223
Base-Backbone interact. energy: -3.353
local terms energy: -645.634493
where:
bonds (distance) C4'-P energy: -137.890
bonds (distance) P-C4' energy: -115.320
flat angles C4'-P-C4' energy: -161.212
flat angles P-C4'-P energy: -101.365
tors. eta vs tors. theta energy: -129.848
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: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1653.992972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.992972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.992972 (E_RNA)
where:
Base-Base interactions energy: -1092.061
where: short stacking energy: -476.246
Base-Backbone interact. energy: -2.122
local terms energy: -559.809919
where:
bonds (distance) C4'-P energy: -133.026
bonds (distance) P-C4' energy: -123.871
flat angles C4'-P-C4' energy: -123.784
flat angles P-C4'-P energy: -70.807
tors. eta vs tors. theta energy: -108.322
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: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1559.198330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.198330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.198330 (E_RNA)
where:
Base-Base interactions energy: -1013.510
where: short stacking energy: -467.470
Base-Backbone interact. energy: -2.558
local terms energy: -543.129996
where:
bonds (distance) C4'-P energy: -112.877
bonds (distance) P-C4' energy: -131.011
flat angles C4'-P-C4' energy: -141.808
flat angles P-C4'-P energy: -64.552
tors. eta vs tors. theta energy: -92.882
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: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1158.412142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.412142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.412142 (E_RNA)
where:
Base-Base interactions energy: -651.633
where: short stacking energy: -327.306
Base-Backbone interact. energy: -2.443
local terms energy: -504.335783
where:
bonds (distance) C4'-P energy: -132.385
bonds (distance) P-C4' energy: -125.507
flat angles C4'-P-C4' energy: -95.475
flat angles P-C4'-P energy: -88.312
tors. eta vs tors. theta energy: -62.656
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: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1109.062313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.062313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.062313 (E_RNA)
where:
Base-Base interactions energy: -654.328
where: short stacking energy: -302.268
Base-Backbone interact. energy: -2.537
local terms energy: -452.197897
where:
bonds (distance) C4'-P energy: -129.068
bonds (distance) P-C4' energy: -108.090
flat angles C4'-P-C4' energy: -105.101
flat angles P-C4'-P energy: -55.777
tors. eta vs tors. theta energy: -54.161
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: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -803.726446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.726446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.726446 (E_RNA)
where:
Base-Base interactions energy: -430.953
where: short stacking energy: -247.153
Base-Backbone interact. energy: 8.690
local terms energy: -381.463556
where:
bonds (distance) C4'-P energy: -106.403
bonds (distance) P-C4' energy: -111.489
flat angles C4'-P-C4' energy: -98.393
flat angles P-C4'-P energy: -46.034
tors. eta vs tors. theta energy: -19.144
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: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2440.141177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.141177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.141177 (E_RNA)
where:
Base-Base interactions energy: -1680.689
where: short stacking energy: -689.757
Base-Backbone interact. energy: -3.985
local terms energy: -755.467694
where:
bonds (distance) C4'-P energy: -149.435
bonds (distance) P-C4' energy: -133.596
flat angles C4'-P-C4' energy: -173.479
flat angles P-C4'-P energy: -121.602
tors. eta vs tors. theta energy: -177.356
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: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2343.753340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.753340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.753340 (E_RNA)
where:
Base-Base interactions energy: -1573.885
where: short stacking energy: -656.136
Base-Backbone interact. energy: -5.233
local terms energy: -764.634812
where:
bonds (distance) C4'-P energy: -146.616
bonds (distance) P-C4' energy: -152.133
flat angles C4'-P-C4' energy: -169.047
flat angles P-C4'-P energy: -119.899
tors. eta vs tors. theta energy: -176.940
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: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2257.469059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.469059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.469059 (E_RNA)
where:
Base-Base interactions energy: -1554.107
where: short stacking energy: -679.348
Base-Backbone interact. energy: 0.598
local terms energy: -703.960341
where:
bonds (distance) C4'-P energy: -119.247
bonds (distance) P-C4' energy: -141.492
flat angles C4'-P-C4' energy: -159.451
flat angles P-C4'-P energy: -104.581
tors. eta vs tors. theta energy: -179.190
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: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2010.027501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.027501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.027501 (E_RNA)
where:
Base-Base interactions energy: -1339.788
where: short stacking energy: -584.656
Base-Backbone interact. energy: 0.082
local terms energy: -670.321617
where:
bonds (distance) C4'-P energy: -122.371
bonds (distance) P-C4' energy: -142.824
flat angles C4'-P-C4' energy: -134.448
flat angles P-C4'-P energy: -103.592
tors. eta vs tors. theta energy: -167.087
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: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1952.130162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.130162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.130162 (E_RNA)
where:
Base-Base interactions energy: -1303.195
where: short stacking energy: -588.657
Base-Backbone interact. energy: -1.347
local terms energy: -647.588509
where:
bonds (distance) C4'-P energy: -126.501
bonds (distance) P-C4' energy: -136.175
flat angles C4'-P-C4' energy: -137.213
flat angles P-C4'-P energy: -92.980
tors. eta vs tors. theta energy: -154.719
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: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1681.026234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.026234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.026234 (E_RNA)
where:
Base-Base interactions energy: -1100.788
where: short stacking energy: -469.656
Base-Backbone interact. energy: -2.660
local terms energy: -577.577988
where:
bonds (distance) C4'-P energy: -126.750
bonds (distance) P-C4' energy: -116.910
flat angles C4'-P-C4' energy: -142.244
flat angles P-C4'-P energy: -95.433
tors. eta vs tors. theta energy: -96.241
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: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1570.661622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.661622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.661622 (E_RNA)
where:
Base-Base interactions energy: -1002.607
where: short stacking energy: -479.805
Base-Backbone interact. energy: 2.925
local terms energy: -570.980027
where:
bonds (distance) C4'-P energy: -137.539
bonds (distance) P-C4' energy: -130.717
flat angles C4'-P-C4' energy: -121.704
flat angles P-C4'-P energy: -73.993
tors. eta vs tors. theta energy: -107.027
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: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1141.549522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.549522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.549522 (E_RNA)
where:
Base-Base interactions energy: -693.784
where: short stacking energy: -324.792
Base-Backbone interact. energy: 3.371
local terms energy: -451.137088
where:
bonds (distance) C4'-P energy: -124.040
bonds (distance) P-C4' energy: -117.756
flat angles C4'-P-C4' energy: -115.430
flat angles P-C4'-P energy: -53.111
tors. eta vs tors. theta energy: -40.801
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: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1108.915483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.915483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.915483 (E_RNA)
where:
Base-Base interactions energy: -656.276
where: short stacking energy: -299.390
Base-Backbone interact. energy: 4.548
local terms energy: -457.187101
where:
bonds (distance) C4'-P energy: -100.751
bonds (distance) P-C4' energy: -124.274
flat angles C4'-P-C4' energy: -116.419
flat angles P-C4'-P energy: -73.673
tors. eta vs tors. theta energy: -42.070
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: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -836.607961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.607961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.607961 (E_RNA)
where:
Base-Base interactions energy: -423.371
where: short stacking energy: -225.803
Base-Backbone interact. energy: 2.125
local terms energy: -415.361499
where:
bonds (distance) C4'-P energy: -110.245
bonds (distance) P-C4' energy: -125.523
flat angles C4'-P-C4' energy: -124.268
flat angles P-C4'-P energy: -60.247
tors. eta vs tors. theta energy: 4.922
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: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2449.337391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.337391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.337391 (E_RNA)
where:
Base-Base interactions energy: -1654.754
where: short stacking energy: -726.704
Base-Backbone interact. energy: -3.308
local terms energy: -791.274847
where:
bonds (distance) C4'-P energy: -155.158
bonds (distance) P-C4' energy: -145.083
flat angles C4'-P-C4' energy: -169.093
flat angles P-C4'-P energy: -124.643
tors. eta vs tors. theta energy: -197.298
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: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2324.749410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.749410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.749410 (E_RNA)
where:
Base-Base interactions energy: -1611.643
where: short stacking energy: -674.759
Base-Backbone interact. energy: -4.274
local terms energy: -708.832356
where:
bonds (distance) C4'-P energy: -136.139
bonds (distance) P-C4' energy: -140.582
flat angles C4'-P-C4' energy: -164.421
flat angles P-C4'-P energy: -93.712
tors. eta vs tors. theta energy: -173.978
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: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2227.857275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.857275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.857275 (E_RNA)
where:
Base-Base interactions energy: -1500.270
where: short stacking energy: -674.922
Base-Backbone interact. energy: -3.895
local terms energy: -723.692164
where:
bonds (distance) C4'-P energy: -139.805
bonds (distance) P-C4' energy: -139.668
flat angles C4'-P-C4' energy: -154.274
flat angles P-C4'-P energy: -93.645
tors. eta vs tors. theta energy: -196.300
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: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2030.761137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.761137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.761137 (E_RNA)
where:
Base-Base interactions energy: -1358.398
where: short stacking energy: -605.673
Base-Backbone interact. energy: -1.573
local terms energy: -670.790338
where:
bonds (distance) C4'-P energy: -133.237
bonds (distance) P-C4' energy: -129.255
flat angles C4'-P-C4' energy: -144.555
flat angles P-C4'-P energy: -104.172
tors. eta vs tors. theta energy: -159.571
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: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1962.728153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.728153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.728153 (E_RNA)
where:
Base-Base interactions energy: -1291.118
where: short stacking energy: -578.136
Base-Backbone interact. energy: -3.159
local terms energy: -668.451622
where:
bonds (distance) C4'-P energy: -119.165
bonds (distance) P-C4' energy: -142.823
flat angles C4'-P-C4' energy: -149.409
flat angles P-C4'-P energy: -103.272
tors. eta vs tors. theta energy: -153.782
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: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1692.791014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.791014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.791014 (E_RNA)
where:
Base-Base interactions energy: -1149.156
where: short stacking energy: -504.136
Base-Backbone interact. energy: 1.172
local terms energy: -544.806441
where:
bonds (distance) C4'-P energy: -112.449
bonds (distance) P-C4' energy: -134.166
flat angles C4'-P-C4' energy: -115.674
flat angles P-C4'-P energy: -60.858
tors. eta vs tors. theta energy: -121.659
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: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1532.237627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.237627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.237627 (E_RNA)
where:
Base-Base interactions energy: -983.008
where: short stacking energy: -459.221
Base-Backbone interact. energy: -1.053
local terms energy: -548.176226
where:
bonds (distance) C4'-P energy: -103.072
bonds (distance) P-C4' energy: -113.913
flat angles C4'-P-C4' energy: -139.021
flat angles P-C4'-P energy: -86.609
tors. eta vs tors. theta energy: -105.562
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: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1201.144932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.144932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.144932 (E_RNA)
where:
Base-Base interactions energy: -718.906
where: short stacking energy: -371.373
Base-Backbone interact. energy: -3.159
local terms energy: -479.079495
where:
bonds (distance) C4'-P energy: -115.869
bonds (distance) P-C4' energy: -112.266
flat angles C4'-P-C4' energy: -123.373
flat angles P-C4'-P energy: -65.321
tors. eta vs tors. theta energy: -62.250
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: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1072.337776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.337776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.337776 (E_RNA)
where:
Base-Base interactions energy: -633.914
where: short stacking energy: -333.194
Base-Backbone interact. energy: -0.040
local terms energy: -438.383796
where:
bonds (distance) C4'-P energy: -112.012
bonds (distance) P-C4' energy: -112.538
flat angles C4'-P-C4' energy: -107.075
flat angles P-C4'-P energy: -71.197
tors. eta vs tors. theta energy: -35.562
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: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -850.654129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.654129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.654129 (E_RNA)
where:
Base-Base interactions energy: -471.749
where: short stacking energy: -248.410
Base-Backbone interact. energy: 3.583
local terms energy: -382.487959
where:
bonds (distance) C4'-P energy: -110.301
bonds (distance) P-C4' energy: -111.653
flat angles C4'-P-C4' energy: -93.777
flat angles P-C4'-P energy: -56.639
tors. eta vs tors. theta energy: -10.118
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: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2416.280244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.280244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.280244 (E_RNA)
where:
Base-Base interactions energy: -1635.787
where: short stacking energy: -693.334
Base-Backbone interact. energy: -2.262
local terms energy: -778.231057
where:
bonds (distance) C4'-P energy: -147.776
bonds (distance) P-C4' energy: -146.484
flat angles C4'-P-C4' energy: -178.192
flat angles P-C4'-P energy: -117.690
tors. eta vs tors. theta energy: -188.090
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: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2337.745517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.745517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.745517 (E_RNA)
where:
Base-Base interactions energy: -1610.964
where: short stacking energy: -688.133
Base-Backbone interact. energy: -1.651
local terms energy: -725.130599
where:
bonds (distance) C4'-P energy: -119.583
bonds (distance) P-C4' energy: -142.943
flat angles C4'-P-C4' energy: -154.975
flat angles P-C4'-P energy: -111.795
tors. eta vs tors. theta energy: -195.834
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: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2272.241518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.241518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.241518 (E_RNA)
where:
Base-Base interactions energy: -1502.698
where: short stacking energy: -677.456
Base-Backbone interact. energy: -7.127
local terms energy: -762.416915
where:
bonds (distance) C4'-P energy: -133.150
bonds (distance) P-C4' energy: -149.400
flat angles C4'-P-C4' energy: -176.420
flat angles P-C4'-P energy: -100.023
tors. eta vs tors. theta energy: -203.423
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: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1997.213140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.213140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.213140 (E_RNA)
where:
Base-Base interactions energy: -1343.396
where: short stacking energy: -581.440
Base-Backbone interact. energy: 0.247
local terms energy: -654.064578
where:
bonds (distance) C4'-P energy: -135.606
bonds (distance) P-C4' energy: -145.060
flat angles C4'-P-C4' energy: -147.023
flat angles P-C4'-P energy: -79.943
tors. eta vs tors. theta energy: -146.433
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: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1979.076573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.076573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.076573 (E_RNA)
where:
Base-Base interactions energy: -1307.505
where: short stacking energy: -605.897
Base-Backbone interact. energy: -2.866
local terms energy: -668.704731
where:
bonds (distance) C4'-P energy: -137.403
bonds (distance) P-C4' energy: -141.649
flat angles C4'-P-C4' energy: -148.812
flat angles P-C4'-P energy: -92.881
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: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1800.223655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.223655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.223655 (E_RNA)
where:
Base-Base interactions energy: -1219.072
where: short stacking energy: -530.787
Base-Backbone interact. energy: 2.354
local terms energy: -583.505895
where:
bonds (distance) C4'-P energy: -119.229
bonds (distance) P-C4' energy: -122.002
flat angles C4'-P-C4' energy: -136.117
flat angles P-C4'-P energy: -95.679
tors. eta vs tors. theta energy: -110.479
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: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1633.599365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.599365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.599365 (E_RNA)
where:
Base-Base interactions energy: -1054.996
where: short stacking energy: -510.978
Base-Backbone interact. energy: -0.949
local terms energy: -577.654534
where:
bonds (distance) C4'-P energy: -122.583
bonds (distance) P-C4' energy: -131.096
flat angles C4'-P-C4' energy: -137.111
flat angles P-C4'-P energy: -64.385
tors. eta vs tors. theta energy: -122.479
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: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1166.867639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.867639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.867639 (E_RNA)
where:
Base-Base interactions energy: -656.416
where: short stacking energy: -335.309
Base-Backbone interact. energy: 3.706
local terms energy: -514.157539
where:
bonds (distance) C4'-P energy: -119.039
bonds (distance) P-C4' energy: -133.031
flat angles C4'-P-C4' energy: -135.134
flat angles P-C4'-P energy: -83.268
tors. eta vs tors. theta energy: -43.686
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: 9, replica: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1010.081419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.081419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.081419 (E_RNA)
where:
Base-Base interactions energy: -551.893
where: short stacking energy: -262.948
Base-Backbone interact. energy: 2.125
local terms energy: -460.312897
where:
bonds (distance) C4'-P energy: -121.283
bonds (distance) P-C4' energy: -115.210
flat angles C4'-P-C4' energy: -130.184
flat angles P-C4'-P energy: -75.264
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: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -795.250839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.250839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.250839 (E_RNA)
where:
Base-Base interactions energy: -417.576
where: short stacking energy: -232.161
Base-Backbone interact. energy: 1.010
local terms energy: -378.685326
where:
bonds (distance) C4'-P energy: -116.354
bonds (distance) P-C4' energy: -97.176
flat angles C4'-P-C4' energy: -99.650
flat angles P-C4'-P energy: -64.819
tors. eta vs tors. theta energy: -0.687
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: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2427.973258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.973258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.973258 (E_RNA)
where:
Base-Base interactions energy: -1662.985
where: short stacking energy: -702.950
Base-Backbone interact. energy: -4.814
local terms energy: -760.173593
where:
bonds (distance) C4'-P energy: -144.680
bonds (distance) P-C4' energy: -141.817
flat angles C4'-P-C4' energy: -173.781
flat angles P-C4'-P energy: -111.121
tors. eta vs tors. theta energy: -188.775
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: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2338.540602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.540602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.540602 (E_RNA)
where:
Base-Base interactions energy: -1581.866
where: short stacking energy: -683.023
Base-Backbone interact. energy: -2.281
local terms energy: -754.393691
where:
bonds (distance) C4'-P energy: -137.544
bonds (distance) P-C4' energy: -151.999
flat angles C4'-P-C4' energy: -172.898
flat angles P-C4'-P energy: -108.122
tors. eta vs tors. theta energy: -183.831
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: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2249.936978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.936978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.936978 (E_RNA)
where:
Base-Base interactions energy: -1531.972
where: short stacking energy: -671.680
Base-Backbone interact. energy: -4.621
local terms energy: -713.344278
where:
bonds (distance) C4'-P energy: -113.015
bonds (distance) P-C4' energy: -147.802
flat angles C4'-P-C4' energy: -159.662
flat angles P-C4'-P energy: -100.178
tors. eta vs tors. theta energy: -192.687
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: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1973.315660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.315660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.315660 (E_RNA)
where:
Base-Base interactions energy: -1315.052
where: short stacking energy: -592.113
Base-Backbone interact. energy: -6.161
local terms energy: -652.102160
where:
bonds (distance) C4'-P energy: -115.458
bonds (distance) P-C4' energy: -138.213
flat angles C4'-P-C4' energy: -154.756
flat angles P-C4'-P energy: -102.555
tors. eta vs tors. theta energy: -141.120
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: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1983.690749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.690749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.690749 (E_RNA)
where:
Base-Base interactions energy: -1330.567
where: short stacking energy: -562.264
Base-Backbone interact. energy: 1.080
local terms energy: -654.203581
where:
bonds (distance) C4'-P energy: -129.565
bonds (distance) P-C4' energy: -148.569
flat angles C4'-P-C4' energy: -149.627
flat angles P-C4'-P energy: -82.092
tors. eta vs tors. theta energy: -144.351
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: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1725.630755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.630755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.630755 (E_RNA)
where:
Base-Base interactions energy: -1143.979
where: short stacking energy: -505.890
Base-Backbone interact. energy: 3.596
local terms energy: -585.248453
where:
bonds (distance) C4'-P energy: -115.018
bonds (distance) P-C4' energy: -130.579
flat angles C4'-P-C4' energy: -128.683
flat angles P-C4'-P energy: -81.330
tors. eta vs tors. theta energy: -129.637
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: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1684.899208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.899208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.899208 (E_RNA)
where:
Base-Base interactions energy: -1077.423
where: short stacking energy: -461.920
Base-Backbone interact. energy: -2.633
local terms energy: -604.843998
where:
bonds (distance) C4'-P energy: -131.229
bonds (distance) P-C4' energy: -130.180
flat angles C4'-P-C4' energy: -138.556
flat angles P-C4'-P energy: -81.496
tors. eta vs tors. theta energy: -123.382
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: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1190.558984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.558984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.558984 (E_RNA)
where:
Base-Base interactions energy: -726.787
where: short stacking energy: -330.277
Base-Backbone interact. energy: 10.776
local terms energy: -474.547225
where:
bonds (distance) C4'-P energy: -113.021
bonds (distance) P-C4' energy: -118.116
flat angles C4'-P-C4' energy: -128.005
flat angles P-C4'-P energy: -62.024
tors. eta vs tors. theta energy: -53.381
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: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1003.098624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.098624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.098624 (E_RNA)
where:
Base-Base interactions energy: -552.434
where: short stacking energy: -311.065
Base-Backbone interact. energy: -3.831
local terms energy: -446.833421
where:
bonds (distance) C4'-P energy: -119.595
bonds (distance) P-C4' energy: -124.135
flat angles C4'-P-C4' energy: -111.055
flat angles P-C4'-P energy: -67.707
tors. eta vs tors. theta energy: -24.341
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: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -777.517006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.517006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.517006 (E_RNA)
where:
Base-Base interactions energy: -383.804
where: short stacking energy: -210.828
Base-Backbone interact. energy: -2.381
local terms energy: -391.332286
where:
bonds (distance) C4'-P energy: -93.824
bonds (distance) P-C4' energy: -127.453
flat angles C4'-P-C4' energy: -104.348
flat angles P-C4'-P energy: -66.778
tors. eta vs tors. theta energy: 1.071
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: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2449.897086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.897086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.897086 (E_RNA)
where:
Base-Base interactions energy: -1677.656
where: short stacking energy: -735.155
Base-Backbone interact. energy: -3.470
local terms energy: -768.771409
where:
bonds (distance) C4'-P energy: -141.335
bonds (distance) P-C4' energy: -140.594
flat angles C4'-P-C4' energy: -168.510
flat angles P-C4'-P energy: -114.178
tors. eta vs tors. theta energy: -204.155
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: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2325.329370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.329370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.329370 (E_RNA)
where:
Base-Base interactions energy: -1590.322
where: short stacking energy: -695.075
Base-Backbone interact. energy: -3.611
local terms energy: -731.395815
where:
bonds (distance) C4'-P energy: -124.019
bonds (distance) P-C4' energy: -143.319
flat angles C4'-P-C4' energy: -163.612
flat angles P-C4'-P energy: -120.545
tors. eta vs tors. theta energy: -179.901
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: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2277.339326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.339326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.339326 (E_RNA)
where:
Base-Base interactions energy: -1538.724
where: short stacking energy: -677.756
Base-Backbone interact. energy: -5.556
local terms energy: -733.059295
where:
bonds (distance) C4'-P energy: -134.375
bonds (distance) P-C4' energy: -142.382
flat angles C4'-P-C4' energy: -162.751
flat angles P-C4'-P energy: -104.102
tors. eta vs tors. theta energy: -189.449
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: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1994.212084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.212084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.212084 (E_RNA)
where:
Base-Base interactions energy: -1315.113
where: short stacking energy: -587.118
Base-Backbone interact. energy: 2.637
local terms energy: -681.735894
where:
bonds (distance) C4'-P energy: -129.515
bonds (distance) P-C4' energy: -145.154
flat angles C4'-P-C4' energy: -158.058
flat angles P-C4'-P energy: -101.576
tors. eta vs tors. theta energy: -147.432
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: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2024.455631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.455631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.455631 (E_RNA)
where:
Base-Base interactions energy: -1354.832
where: short stacking energy: -596.598
Base-Backbone interact. energy: -2.433
local terms energy: -667.190402
where:
bonds (distance) C4'-P energy: -127.080
bonds (distance) P-C4' energy: -137.918
flat angles C4'-P-C4' energy: -136.531
flat angles P-C4'-P energy: -100.642
tors. eta vs tors. theta energy: -165.018
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: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1676.105220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.105220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.105220 (E_RNA)
where:
Base-Base interactions energy: -1106.360
where: short stacking energy: -474.861
Base-Backbone interact. energy: -4.679
local terms energy: -565.066245
where:
bonds (distance) C4'-P energy: -130.097
bonds (distance) P-C4' energy: -138.431
flat angles C4'-P-C4' energy: -122.108
flat angles P-C4'-P energy: -78.504
tors. eta vs tors. theta energy: -95.927
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: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1632.519542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.519542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.519542 (E_RNA)
where:
Base-Base interactions energy: -1063.982
where: short stacking energy: -498.874
Base-Backbone interact. energy: -1.036
local terms energy: -567.501534
where:
bonds (distance) C4'-P energy: -111.898
bonds (distance) P-C4' energy: -114.998
flat angles C4'-P-C4' energy: -132.606
flat angles P-C4'-P energy: -85.353
tors. eta vs tors. theta energy: -122.647
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: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1254.697691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.697691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.697691 (E_RNA)
where:
Base-Base interactions energy: -760.919
where: short stacking energy: -368.407
Base-Backbone interact. energy: 0.378
local terms energy: -494.156318
where:
bonds (distance) C4'-P energy: -127.993
bonds (distance) P-C4' energy: -109.605
flat angles C4'-P-C4' energy: -132.208
flat angles P-C4'-P energy: -60.394
tors. eta vs tors. theta energy: -63.957
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: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1002.084444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.084444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.084444 (E_RNA)
where:
Base-Base interactions energy: -576.285
where: short stacking energy: -291.703
Base-Backbone interact. energy: -0.426
local terms energy: -425.373600
where:
bonds (distance) C4'-P energy: -123.364
bonds (distance) P-C4' energy: -123.189
flat angles C4'-P-C4' energy: -96.126
flat angles P-C4'-P energy: -62.419
tors. eta vs tors. theta energy: -20.275
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: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -855.578643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.578643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.578643 (E_RNA)
where:
Base-Base interactions energy: -467.729
where: short stacking energy: -225.136
Base-Backbone interact. energy: 6.072
local terms energy: -393.921929
where:
bonds (distance) C4'-P energy: -106.656
bonds (distance) P-C4' energy: -102.125
flat angles C4'-P-C4' energy: -118.916
flat angles P-C4'-P energy: -61.418
tors. eta vs tors. theta energy: -4.806
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: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2438.563281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.563281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.563281 (E_RNA)
where:
Base-Base interactions energy: -1650.184
where: short stacking energy: -696.184
Base-Backbone interact. energy: -5.882
local terms energy: -782.496964
where:
bonds (distance) C4'-P energy: -134.783
bonds (distance) P-C4' energy: -161.259
flat angles C4'-P-C4' energy: -167.921
flat angles P-C4'-P energy: -117.625
tors. eta vs tors. theta energy: -200.908
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: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2310.772870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.772870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.772870 (E_RNA)
where:
Base-Base interactions energy: -1583.437
where: short stacking energy: -668.875
Base-Backbone interact. energy: -4.189
local terms energy: -723.147198
where:
bonds (distance) C4'-P energy: -136.165
bonds (distance) P-C4' energy: -142.639
flat angles C4'-P-C4' energy: -149.825
flat angles P-C4'-P energy: -116.241
tors. eta vs tors. theta energy: -178.277
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: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2254.172493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.172493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.172493 (E_RNA)
where:
Base-Base interactions energy: -1525.394
where: short stacking energy: -673.059
Base-Backbone interact. energy: -5.092
local terms energy: -723.685865
where:
bonds (distance) C4'-P energy: -137.876
bonds (distance) P-C4' energy: -138.590
flat angles C4'-P-C4' energy: -145.107
flat angles P-C4'-P energy: -113.396
tors. eta vs tors. theta energy: -188.716
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: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2130.174756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.174756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.174756 (E_RNA)
where:
Base-Base interactions energy: -1421.371
where: short stacking energy: -610.109
Base-Backbone interact. energy: -3.895
local terms energy: -704.909256
where:
bonds (distance) C4'-P energy: -140.170
bonds (distance) P-C4' energy: -130.684
flat angles C4'-P-C4' energy: -148.640
flat angles P-C4'-P energy: -111.421
tors. eta vs tors. theta energy: -173.995
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: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1924.852168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.852168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.852168 (E_RNA)
where:
Base-Base interactions energy: -1292.266
where: short stacking energy: -585.827
Base-Backbone interact. energy: -2.296
local terms energy: -630.289622
where:
bonds (distance) C4'-P energy: -115.432
bonds (distance) P-C4' energy: -136.126
flat angles C4'-P-C4' energy: -133.545
flat angles P-C4'-P energy: -98.526
tors. eta vs tors. theta energy: -146.662
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: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1733.285608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.285608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.285608 (E_RNA)
where:
Base-Base interactions energy: -1118.869
where: short stacking energy: -513.005
Base-Backbone interact. energy: -2.946
local terms energy: -611.470310
where:
bonds (distance) C4'-P energy: -108.828
bonds (distance) P-C4' energy: -139.903
flat angles C4'-P-C4' energy: -136.763
flat angles P-C4'-P energy: -98.990
tors. eta vs tors. theta energy: -126.986
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: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1638.522313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.522313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.522313 (E_RNA)
where:
Base-Base interactions energy: -1073.263
where: short stacking energy: -485.597
Base-Backbone interact. energy: 2.129
local terms energy: -567.387964
where:
bonds (distance) C4'-P energy: -104.357
bonds (distance) P-C4' energy: -136.938
flat angles C4'-P-C4' energy: -125.494
flat angles P-C4'-P energy: -80.581
tors. eta vs tors. theta energy: -120.017
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: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1251.620875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.620875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.620875 (E_RNA)
where:
Base-Base interactions energy: -749.919
where: short stacking energy: -360.333
Base-Backbone interact. energy: 1.692
local terms energy: -503.393548
where:
bonds (distance) C4'-P energy: -137.102
bonds (distance) P-C4' energy: -116.713
flat angles C4'-P-C4' energy: -127.570
flat angles P-C4'-P energy: -69.027
tors. eta vs tors. theta energy: -52.983
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: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -977.151880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.151880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.151880 (E_RNA)
where:
Base-Base interactions energy: -556.981
where: short stacking energy: -283.898
Base-Backbone interact. energy: 3.392
local terms energy: -423.562912
where:
bonds (distance) C4'-P energy: -114.591
bonds (distance) P-C4' energy: -116.665
flat angles C4'-P-C4' energy: -108.697
flat angles P-C4'-P energy: -65.700
tors. eta vs tors. theta energy: -17.909
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: 99
Temperature: 1.350000
Total energy: -871.898050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.898050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.898050 (E_RNA)
where:
Base-Base interactions energy: -478.290
where: short stacking energy: -229.347
Base-Backbone interact. energy: -0.222
local terms energy: -393.385500
where:
bonds (distance) C4'-P energy: -92.316
bonds (distance) P-C4' energy: -115.257
flat angles C4'-P-C4' energy: -118.055
flat angles P-C4'-P energy: -62.222
tors. eta vs tors. theta energy: -5.536
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: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2455.669951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.669951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.669951 (E_RNA)
where:
Base-Base interactions energy: -1687.896
where: short stacking energy: -703.971
Base-Backbone interact. energy: -5.898
local terms energy: -761.876557
where:
bonds (distance) C4'-P energy: -134.794
bonds (distance) P-C4' energy: -149.240
flat angles C4'-P-C4' energy: -172.866
flat angles P-C4'-P energy: -108.253
tors. eta vs tors. theta energy: -196.723
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: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2294.900537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.900537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.900537 (E_RNA)
where:
Base-Base interactions energy: -1564.071
where: short stacking energy: -651.880
Base-Backbone interact. energy: -6.778
local terms energy: -724.051718
where:
bonds (distance) C4'-P energy: -129.249
bonds (distance) P-C4' energy: -144.376
flat angles C4'-P-C4' energy: -160.752
flat angles P-C4'-P energy: -98.898
tors. eta vs tors. theta energy: -190.776
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: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2260.576342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.576342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.576342 (E_RNA)
where:
Base-Base interactions energy: -1554.731
where: short stacking energy: -687.231
Base-Backbone interact. energy: -3.386
local terms energy: -702.458807
where:
bonds (distance) C4'-P energy: -117.318
bonds (distance) P-C4' energy: -148.774
flat angles C4'-P-C4' energy: -154.957
flat angles P-C4'-P energy: -92.881
tors. eta vs tors. theta energy: -188.528
Dist. restrs. and SS energy: 0.000 (S_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: 100
Temperature: 1.050000
Total energy: -2130.127192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.127192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.127192 (E_RNA)
where:
Base-Base interactions energy: -1437.633
where: short stacking energy: -638.732
Base-Backbone interact. energy: 0.114
local terms energy: -692.608557
where:
bonds (distance) C4'-P energy: -127.103
bonds (distance) P-C4' energy: -139.756
flat angles C4'-P-C4' energy: -145.425
flat angles P-C4'-P energy: -106.542
tors. eta vs tors. theta energy: -173.782
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1913.196342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.196342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.196342 (E_RNA)
where:
Base-Base interactions energy: -1267.291
where: short stacking energy: -570.583
Base-Backbone interact. energy: -0.471
local terms energy: -645.434622
where:
bonds (distance) C4'-P energy: -117.245
bonds (distance) P-C4' energy: -137.728
flat angles C4'-P-C4' energy: -143.425
flat angles P-C4'-P energy: -86.441
tors. eta vs tors. theta energy: -160.595
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: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1791.082163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.082163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.082163 (E_RNA)
where:
Base-Base interactions energy: -1176.429
where: short stacking energy: -520.552
Base-Backbone interact. energy: -0.813
local terms energy: -613.840730
where:
bonds (distance) C4'-P energy: -117.214
bonds (distance) P-C4' energy: -125.768
flat angles C4'-P-C4' energy: -142.665
flat angles P-C4'-P energy: -104.268
tors. eta vs tors. theta energy: -123.925
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: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1495.886982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.886982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.886982 (E_RNA)
where:
Base-Base interactions energy: -952.968
where: short stacking energy: -430.608
Base-Backbone interact. energy: -3.135
local terms energy: -539.784482
where:
bonds (distance) C4'-P energy: -113.555
bonds (distance) P-C4' energy: -137.011
flat angles C4'-P-C4' energy: -119.363
flat angles P-C4'-P energy: -77.197
tors. eta vs tors. theta energy: -92.659
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: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1226.141824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.141824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.141824 (E_RNA)
where:
Base-Base interactions energy: -750.015
where: short stacking energy: -349.190
Base-Backbone interact. energy: -4.442
local terms energy: -471.684503
where:
bonds (distance) C4'-P energy: -114.351
bonds (distance) P-C4' energy: -118.534
flat angles C4'-P-C4' energy: -112.297
flat angles P-C4'-P energy: -62.512
tors. eta vs tors. theta energy: -63.989
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: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1124.216820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.216820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.216820 (E_RNA)
where:
Base-Base interactions energy: -629.051
where: short stacking energy: -325.538
Base-Backbone interact. energy: -3.943
local terms energy: -491.222725
where:
bonds (distance) C4'-P energy: -109.742
bonds (distance) P-C4' energy: -131.630
flat angles C4'-P-C4' energy: -120.029
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -50.948
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: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -905.581603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.581603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.581603 (E_RNA)
where:
Base-Base interactions energy: -466.448
where: short stacking energy: -229.070
Base-Backbone interact. energy: 1.066
local terms energy: -440.199162
where:
bonds (distance) C4'-P energy: -128.389
bonds (distance) P-C4' energy: -128.388
flat angles C4'-P-C4' energy: -109.063
flat angles P-C4'-P energy: -71.668
tors. eta vs tors. theta energy: -2.691
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: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2471.273138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.273138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.273138 (E_RNA)
where:
Base-Base interactions energy: -1693.971
where: short stacking energy: -717.688
Base-Backbone interact. energy: -3.004
local terms energy: -774.298868
where:
bonds (distance) C4'-P energy: -154.150
bonds (distance) P-C4' energy: -147.908
flat angles C4'-P-C4' energy: -168.395
flat angles P-C4'-P energy: -103.899
tors. eta vs tors. theta energy: -199.947
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: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2321.082971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.082971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.082971 (E_RNA)
where:
Base-Base interactions energy: -1573.879
where: short stacking energy: -664.277
Base-Backbone interact. energy: -3.542
local terms energy: -743.661747
where:
bonds (distance) C4'-P energy: -135.685
bonds (distance) P-C4' energy: -146.310
flat angles C4'-P-C4' energy: -162.663
flat angles P-C4'-P energy: -117.782
tors. eta vs tors. theta energy: -181.223
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: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2225.733375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.733375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.733375 (E_RNA)
where:
Base-Base interactions energy: -1507.768
where: short stacking energy: -689.752
Base-Backbone interact. energy: -3.128
local terms energy: -714.837600
where:
bonds (distance) C4'-P energy: -106.837
bonds (distance) P-C4' energy: -160.012
flat angles C4'-P-C4' energy: -164.190
flat angles P-C4'-P energy: -97.862
tors. eta vs tors. theta energy: -185.937
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: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2112.137017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.137017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.137017 (E_RNA)
where:
Base-Base interactions energy: -1416.437
where: short stacking energy: -650.476
Base-Backbone interact. energy: -0.829
local terms energy: -694.871038
where:
bonds (distance) C4'-P energy: -132.380
bonds (distance) P-C4' energy: -138.843
flat angles C4'-P-C4' energy: -151.885
flat angles P-C4'-P energy: -89.652
tors. eta vs tors. theta energy: -182.112
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: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1939.042512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.042512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.042512 (E_RNA)
where:
Base-Base interactions energy: -1294.635
where: short stacking energy: -595.085
Base-Backbone interact. energy: -1.318
local terms energy: -643.089285
where:
bonds (distance) C4'-P energy: -140.035
bonds (distance) P-C4' energy: -111.639
flat angles C4'-P-C4' energy: -140.333
flat angles P-C4'-P energy: -88.586
tors. eta vs tors. theta energy: -162.496
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: 101
Temperature: 1.150000
Total energy: -1811.916937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.916937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.916937 (E_RNA)
where:
Base-Base interactions energy: -1199.277
where: short stacking energy: -523.495
Base-Backbone interact. energy: -0.781
local terms energy: -611.858759
where:
bonds (distance) C4'-P energy: -115.671
bonds (distance) P-C4' energy: -133.766
flat angles C4'-P-C4' energy: -137.220
flat angles P-C4'-P energy: -89.433
tors. eta vs tors. theta energy: -135.769
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1521.047759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.047759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.047759 (E_RNA)
where:
Base-Base interactions energy: -1020.542
where: short stacking energy: -465.198
Base-Backbone interact. energy: 1.255
local terms energy: -501.761084
where:
bonds (distance) C4'-P energy: -126.304
bonds (distance) P-C4' energy: -101.839
flat angles C4'-P-C4' energy: -119.004
flat angles P-C4'-P energy: -70.113
tors. eta vs tors. theta energy: -84.501
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: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1234.992559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.992559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.992559 (E_RNA)
where:
Base-Base interactions energy: -748.313
where: short stacking energy: -354.388
Base-Backbone interact. energy: 0.427
local terms energy: -487.105968
where:
bonds (distance) C4'-P energy: -130.290
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -111.819
flat angles P-C4'-P energy: -74.237
tors. eta vs tors. theta energy: -61.115
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: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1050.572564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.572564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.572564 (E_RNA)
where:
Base-Base interactions energy: -612.162
where: short stacking energy: -303.252
Base-Backbone interact. energy: -1.974
local terms energy: -436.436787
where:
bonds (distance) C4'-P energy: -132.339
bonds (distance) P-C4' energy: -120.255
flat angles C4'-P-C4' energy: -97.031
flat angles P-C4'-P energy: -41.375
tors. eta vs tors. theta energy: -45.438
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: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -880.420773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.420773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.420773 (E_RNA)
where:
Base-Base interactions energy: -493.458
where: short stacking energy: -227.327
Base-Backbone interact. energy: 0.424
local terms energy: -387.386713
where:
bonds (distance) C4'-P energy: -120.985
bonds (distance) P-C4' energy: -104.163
flat angles C4'-P-C4' energy: -89.008
flat angles P-C4'-P energy: -60.397
tors. eta vs tors. theta energy: -12.834
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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2453.023847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.023847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.023847 (E_RNA)
where:
Base-Base interactions energy: -1653.807
where: short stacking energy: -731.835
Base-Backbone interact. energy: -4.443
local terms energy: -794.774405
where:
bonds (distance) C4'-P energy: -136.601
bonds (distance) P-C4' energy: -150.430
flat angles C4'-P-C4' energy: -179.642
flat angles P-C4'-P energy: -116.657
tors. eta vs tors. theta energy: -211.444
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: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2296.739663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.739663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.739663 (E_RNA)
where:
Base-Base interactions energy: -1563.875
where: short stacking energy: -686.470
Base-Backbone interact. energy: 5.730
local terms energy: -738.595015
where:
bonds (distance) C4'-P energy: -132.201
bonds (distance) P-C4' energy: -152.267
flat angles C4'-P-C4' energy: -148.820
flat angles P-C4'-P energy: -120.643
tors. eta vs tors. theta energy: -184.664
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: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2186.286463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.286463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.286463 (E_RNA)
where:
Base-Base interactions energy: -1465.084
where: short stacking energy: -654.006
Base-Backbone interact. energy: -1.841
local terms energy: -719.361470
where:
bonds (distance) C4'-P energy: -140.924
bonds (distance) P-C4' energy: -134.299
flat angles C4'-P-C4' energy: -158.065
flat angles P-C4'-P energy: -108.769
tors. eta vs tors. theta energy: -177.305
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: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2136.950859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.950859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.950859 (E_RNA)
where:
Base-Base interactions energy: -1408.779
where: short stacking energy: -631.784
Base-Backbone interact. energy: -1.122
local terms energy: -727.049551
where:
bonds (distance) C4'-P energy: -134.768
bonds (distance) P-C4' energy: -136.171
flat angles C4'-P-C4' energy: -158.032
flat angles P-C4'-P energy: -117.016
tors. eta vs tors. theta energy: -181.062
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: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2000.316039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.316039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.316039 (E_RNA)
where:
Base-Base interactions energy: -1320.283
where: short stacking energy: -610.925
Base-Backbone interact. energy: -0.397
local terms energy: -679.635804
where:
bonds (distance) C4'-P energy: -133.826
bonds (distance) P-C4' energy: -135.492
flat angles C4'-P-C4' energy: -155.864
flat angles P-C4'-P energy: -92.450
tors. eta vs tors. theta energy: -162.004
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: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1922.692552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.692552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.692552 (E_RNA)
where:
Base-Base interactions energy: -1276.384
where: short stacking energy: -570.296
Base-Backbone interact. energy: -2.983
local terms energy: -643.325911
where:
bonds (distance) C4'-P energy: -134.099
bonds (distance) P-C4' energy: -119.693
flat angles C4'-P-C4' energy: -130.268
flat angles P-C4'-P energy: -93.255
tors. eta vs tors. theta energy: -166.011
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: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1423.380224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.380224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.380224 (E_RNA)
where:
Base-Base interactions energy: -923.680
where: short stacking energy: -415.569
Base-Backbone interact. energy: 13.373
local terms energy: -513.073071
where:
bonds (distance) C4'-P energy: -126.780
bonds (distance) P-C4' energy: -102.539
flat angles C4'-P-C4' energy: -122.113
flat angles P-C4'-P energy: -78.168
tors. eta vs tors. theta energy: -83.473
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: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1249.307476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.307476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.307476 (E_RNA)
where:
Base-Base interactions energy: -741.589
where: short stacking energy: -356.909
Base-Backbone interact. energy: 1.460
local terms energy: -509.178342
where:
bonds (distance) C4'-P energy: -118.818
bonds (distance) P-C4' energy: -123.790
flat angles C4'-P-C4' energy: -109.595
flat angles P-C4'-P energy: -87.030
tors. eta vs tors. theta energy: -69.945
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: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1072.904135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.904135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.904135 (E_RNA)
where:
Base-Base interactions energy: -624.152
where: short stacking energy: -297.145
Base-Backbone interact. energy: -0.121
local terms energy: -448.630623
where:
bonds (distance) C4'-P energy: -106.957
bonds (distance) P-C4' energy: -135.982
flat angles C4'-P-C4' energy: -98.009
flat angles P-C4'-P energy: -66.544
tors. eta vs tors. theta energy: -41.139
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: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -806.747069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.747069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.747069 (E_RNA)
where:
Base-Base interactions energy: -382.740
where: short stacking energy: -213.849
Base-Backbone interact. energy: -0.476
local terms energy: -423.531916
where:
bonds (distance) C4'-P energy: -122.873
bonds (distance) P-C4' energy: -124.998
flat angles C4'-P-C4' energy: -114.213
flat angles P-C4'-P energy: -67.328
tors. eta vs tors. theta energy: 5.879
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: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2453.940131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.940131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.940131 (E_RNA)
where:
Base-Base interactions energy: -1674.374
where: short stacking energy: -718.470
Base-Backbone interact. energy: 2.180
local terms energy: -781.745981
where:
bonds (distance) C4'-P energy: -145.783
bonds (distance) P-C4' energy: -150.505
flat angles C4'-P-C4' energy: -160.348
flat angles P-C4'-P energy: -116.777
tors. eta vs tors. theta energy: -208.333
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: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2345.044908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.044908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.044908 (E_RNA)
where:
Base-Base interactions energy: -1585.324
where: short stacking energy: -651.073
Base-Backbone interact. energy: -3.339
local terms energy: -756.381899
where:
bonds (distance) C4'-P energy: -149.136
bonds (distance) P-C4' energy: -150.188
flat angles C4'-P-C4' energy: -166.983
flat angles P-C4'-P energy: -107.664
tors. eta vs tors. theta energy: -182.410
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: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2244.500772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.500772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.500772 (E_RNA)
where:
Base-Base interactions energy: -1497.477
where: short stacking energy: -685.599
Base-Backbone interact. energy: -4.065
local terms energy: -742.959243
where:
bonds (distance) C4'-P energy: -133.754
bonds (distance) P-C4' energy: -153.831
flat angles C4'-P-C4' energy: -160.035
flat angles P-C4'-P energy: -112.214
tors. eta vs tors. theta energy: -183.125
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: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2155.950667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.950667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.950667 (E_RNA)
where:
Base-Base interactions energy: -1473.047
where: short stacking energy: -633.608
Base-Backbone interact. energy: 1.340
local terms energy: -684.243535
where:
bonds (distance) C4'-P energy: -135.936
bonds (distance) P-C4' energy: -141.999
flat angles C4'-P-C4' energy: -157.701
flat angles P-C4'-P energy: -70.014
tors. eta vs tors. theta energy: -178.595
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: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1911.682596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.682596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.682596 (E_RNA)
where:
Base-Base interactions energy: -1262.912
where: short stacking energy: -580.485
Base-Backbone interact. energy: -0.854
local terms energy: -647.916740
where:
bonds (distance) C4'-P energy: -124.599
bonds (distance) P-C4' energy: -121.209
flat angles C4'-P-C4' energy: -153.430
flat angles P-C4'-P energy: -95.844
tors. eta vs tors. theta energy: -152.835
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: 103
Temperature: 1.150000
Total energy: -1848.453525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.453525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.453525 (E_RNA)
where:
Base-Base interactions energy: -1242.030
where: short stacking energy: -563.630
Base-Backbone interact. energy: 0.334
local terms energy: -606.758170
where:
bonds (distance) C4'-P energy: -119.066
bonds (distance) P-C4' energy: -121.898
flat angles C4'-P-C4' energy: -141.772
flat angles P-C4'-P energy: -84.299
tors. eta vs tors. theta energy: -139.724
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: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1471.399402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.399402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.399402 (E_RNA)
where:
Base-Base interactions energy: -939.037
where: short stacking energy: -406.139
Base-Backbone interact. energy: -1.645
local terms energy: -530.716779
where:
bonds (distance) C4'-P energy: -126.711
bonds (distance) P-C4' energy: -119.073
flat angles C4'-P-C4' energy: -137.664
flat angles P-C4'-P energy: -71.329
tors. eta vs tors. theta energy: -75.939
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: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1179.266222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.266222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.266222 (E_RNA)
where:
Base-Base interactions energy: -702.388
where: short stacking energy: -332.069
Base-Backbone interact. energy: -0.951
local terms energy: -475.927015
where:
bonds (distance) C4'-P energy: -117.218
bonds (distance) P-C4' energy: -104.243
flat angles C4'-P-C4' energy: -118.314
flat angles P-C4'-P energy: -73.162
tors. eta vs tors. theta energy: -62.990
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: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -889.721019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.721019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.721019 (E_RNA)
where:
Base-Base interactions energy: -487.512
where: short stacking energy: -251.670
Base-Backbone interact. energy: 0.801
local terms energy: -403.010473
where:
bonds (distance) C4'-P energy: -108.831
bonds (distance) P-C4' energy: -106.402
flat angles C4'-P-C4' energy: -108.856
flat angles P-C4'-P energy: -70.199
tors. eta vs tors. theta energy: -8.722
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: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -807.001769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.001769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.001769 (E_RNA)
where:
Base-Base interactions energy: -420.425
where: short stacking energy: -239.481
Base-Backbone interact. energy: 0.381
local terms energy: -386.957733
where:
bonds (distance) C4'-P energy: -113.060
bonds (distance) P-C4' energy: -118.431
flat angles C4'-P-C4' energy: -94.166
flat angles P-C4'-P energy: -53.495
tors. eta vs tors. theta energy: -7.805
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: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2430.759515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.759515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.759515 (E_RNA)
where:
Base-Base interactions energy: -1670.597
where: short stacking energy: -692.945
Base-Backbone interact. energy: -0.259
local terms energy: -759.903061
where:
bonds (distance) C4'-P energy: -150.082
bonds (distance) P-C4' energy: -136.607
flat angles C4'-P-C4' energy: -164.807
flat angles P-C4'-P energy: -113.196
tors. eta vs tors. theta energy: -195.211
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: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2338.683326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.683326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.683326 (E_RNA)
where:
Base-Base interactions energy: -1570.069
where: short stacking energy: -690.593
Base-Backbone interact. energy: -5.129
local terms energy: -763.485971
where:
bonds (distance) C4'-P energy: -158.024
bonds (distance) P-C4' energy: -151.766
flat angles C4'-P-C4' energy: -163.004
flat angles P-C4'-P energy: -100.004
tors. eta vs tors. theta energy: -190.687
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: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2238.477330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.477330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.477330 (E_RNA)
where:
Base-Base interactions energy: -1519.211
where: short stacking energy: -688.921
Base-Backbone interact. energy: -1.900
local terms energy: -717.366187
where:
bonds (distance) C4'-P energy: -132.985
bonds (distance) P-C4' energy: -132.914
flat angles C4'-P-C4' energy: -157.569
flat angles P-C4'-P energy: -95.746
tors. eta vs tors. theta energy: -198.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2157.019904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.019904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.019904 (E_RNA)
where:
Base-Base interactions energy: -1451.262
where: short stacking energy: -650.882
Base-Backbone interact. energy: -1.614
local terms energy: -704.144666
where:
bonds (distance) C4'-P energy: -137.662
bonds (distance) P-C4' energy: -123.904
flat angles C4'-P-C4' energy: -157.787
flat angles P-C4'-P energy: -94.690
tors. eta vs tors. theta energy: -190.102
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: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1954.737441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.737441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.737441 (E_RNA)
where:
Base-Base interactions energy: -1343.548
where: short stacking energy: -551.472
Base-Backbone interact. energy: -2.277
local terms energy: -608.912837
where:
bonds (distance) C4'-P energy: -121.257
bonds (distance) P-C4' energy: -118.944
flat angles C4'-P-C4' energy: -130.405
flat angles P-C4'-P energy: -99.382
tors. eta vs tors. theta energy: -138.924
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: 104
Temperature: 1.150000
Total energy: -1865.155559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.155559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.155559 (E_RNA)
where:
Base-Base interactions energy: -1239.259
where: short stacking energy: -563.310
Base-Backbone interact. energy: -1.432
local terms energy: -624.464652
where:
bonds (distance) C4'-P energy: -111.843
bonds (distance) P-C4' energy: -131.765
flat angles C4'-P-C4' energy: -128.499
flat angles P-C4'-P energy: -96.471
tors. eta vs tors. theta energy: -155.887
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: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1513.990415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.990415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.990415 (E_RNA)
where:
Base-Base interactions energy: -977.575
where: short stacking energy: -414.741
Base-Backbone interact. energy: 2.446
local terms energy: -538.861573
where:
bonds (distance) C4'-P energy: -119.197
bonds (distance) P-C4' energy: -138.473
flat angles C4'-P-C4' energy: -129.816
flat angles P-C4'-P energy: -63.167
tors. eta vs tors. theta energy: -88.209
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: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1214.129497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.129497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.129497 (E_RNA)
where:
Base-Base interactions energy: -746.834
where: short stacking energy: -367.207
Base-Backbone interact. energy: -3.095
local terms energy: -464.200737
where:
bonds (distance) C4'-P energy: -89.199
bonds (distance) P-C4' energy: -146.511
flat angles C4'-P-C4' energy: -130.114
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: -47.124
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: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -890.162600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.162600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.162600 (E_RNA)
where:
Base-Base interactions energy: -486.966
where: short stacking energy: -274.706
Base-Backbone interact. energy: 4.969
local terms energy: -408.165597
where:
bonds (distance) C4'-P energy: -113.903
bonds (distance) P-C4' energy: -116.592
flat angles C4'-P-C4' energy: -107.494
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -10.093
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: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -841.614017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.614017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.614017 (E_RNA)
where:
Base-Base interactions energy: -446.657
where: short stacking energy: -235.538
Base-Backbone interact. energy: -0.865
local terms energy: -394.092562
where:
bonds (distance) C4'-P energy: -124.781
bonds (distance) P-C4' energy: -111.311
flat angles C4'-P-C4' energy: -115.815
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: 4.657
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: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2470.940764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.940764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.940764 (E_RNA)
where:
Base-Base interactions energy: -1693.572
where: short stacking energy: -716.690
Base-Backbone interact. energy: 3.207
local terms energy: -780.575012
where:
bonds (distance) C4'-P energy: -159.219
bonds (distance) P-C4' energy: -150.170
flat angles C4'-P-C4' energy: -163.486
flat angles P-C4'-P energy: -107.650
tors. eta vs tors. theta energy: -200.051
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: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2326.540236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.540236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.540236 (E_RNA)
where:
Base-Base interactions energy: -1579.815
where: short stacking energy: -652.024
Base-Backbone interact. energy: -5.241
local terms energy: -741.483955
where:
bonds (distance) C4'-P energy: -147.989
bonds (distance) P-C4' energy: -158.519
flat angles C4'-P-C4' energy: -152.588
flat angles P-C4'-P energy: -113.631
tors. eta vs tors. theta energy: -168.756
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: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2236.786797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.786797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.786797 (E_RNA)
where:
Base-Base interactions energy: -1526.056
where: short stacking energy: -672.235
Base-Backbone interact. energy: -1.569
local terms energy: -709.161458
where:
bonds (distance) C4'-P energy: -119.404
bonds (distance) P-C4' energy: -137.242
flat angles C4'-P-C4' energy: -162.475
flat angles P-C4'-P energy: -94.574
tors. eta vs tors. theta energy: -195.467
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: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2157.493461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.493461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.493461 (E_RNA)
where:
Base-Base interactions energy: -1461.567
where: short stacking energy: -636.532
Base-Backbone interact. energy: 1.252
local terms energy: -697.179343
where:
bonds (distance) C4'-P energy: -146.503
bonds (distance) P-C4' energy: -132.553
flat angles C4'-P-C4' energy: -149.104
flat angles P-C4'-P energy: -99.297
tors. eta vs tors. theta energy: -169.722
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: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2021.656461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.656461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.656461 (E_RNA)
where:
Base-Base interactions energy: -1377.448
where: short stacking energy: -614.836
Base-Backbone interact. energy: -1.709
local terms energy: -642.499109
where:
bonds (distance) C4'-P energy: -129.535
bonds (distance) P-C4' energy: -133.016
flat angles C4'-P-C4' energy: -142.934
flat angles P-C4'-P energy: -80.797
tors. eta vs tors. theta energy: -156.217
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: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1899.292603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.292603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.292603 (E_RNA)
where:
Base-Base interactions energy: -1259.998
where: short stacking energy: -578.128
Base-Backbone interact. energy: 1.265
local terms energy: -640.559635
where:
bonds (distance) C4'-P energy: -134.171
bonds (distance) P-C4' energy: -134.721
flat angles C4'-P-C4' energy: -137.678
flat angles P-C4'-P energy: -81.998
tors. eta vs tors. theta energy: -151.991
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: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1528.135275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.135275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.135275 (E_RNA)
where:
Base-Base interactions energy: -959.698
where: short stacking energy: -426.048
Base-Backbone interact. energy: -2.355
local terms energy: -566.082679
where:
bonds (distance) C4'-P energy: -136.051
bonds (distance) P-C4' energy: -125.542
flat angles C4'-P-C4' energy: -128.958
flat angles P-C4'-P energy: -85.849
tors. eta vs tors. theta energy: -89.681
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: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1201.040977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.040977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.040977 (E_RNA)
where:
Base-Base interactions energy: -761.948
where: short stacking energy: -349.808
Base-Backbone interact. energy: -1.101
local terms energy: -437.991492
where:
bonds (distance) C4'-P energy: -97.219
bonds (distance) P-C4' energy: -112.154
flat angles C4'-P-C4' energy: -106.093
flat angles P-C4'-P energy: -61.629
tors. eta vs tors. theta energy: -60.897
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: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -876.407457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.407457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.407457 (E_RNA)
where:
Base-Base interactions energy: -462.850
where: short stacking energy: -231.638
Base-Backbone interact. energy: 5.061
local terms energy: -418.619040
where:
bonds (distance) C4'-P energy: -106.753
bonds (distance) P-C4' energy: -136.632
flat angles C4'-P-C4' energy: -123.061
flat angles P-C4'-P energy: -57.428
tors. eta vs tors. theta energy: 5.255
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: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -864.102566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.102566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.102566 (E_RNA)
where:
Base-Base interactions energy: -463.057
where: short stacking energy: -248.679
Base-Backbone interact. energy: 1.587
local terms energy: -402.631611
where:
bonds (distance) C4'-P energy: -115.715
bonds (distance) P-C4' energy: -114.414
flat angles C4'-P-C4' energy: -96.595
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -30.267
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: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2479.972705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.972705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.972705 (E_RNA)
where:
Base-Base interactions energy: -1709.152
where: short stacking energy: -710.550
Base-Backbone interact. energy: -1.219
local terms energy: -769.601248
where:
bonds (distance) C4'-P energy: -143.267
bonds (distance) P-C4' energy: -137.725
flat angles C4'-P-C4' energy: -171.432
flat angles P-C4'-P energy: -123.503
tors. eta vs tors. theta energy: -193.674
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: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2334.981840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.981840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.981840 (E_RNA)
where:
Base-Base interactions energy: -1592.616
where: short stacking energy: -664.945
Base-Backbone interact. energy: -2.836
local terms energy: -739.529894
where:
bonds (distance) C4'-P energy: -134.457
bonds (distance) P-C4' energy: -149.913
flat angles C4'-P-C4' energy: -159.936
flat angles P-C4'-P energy: -110.915
tors. eta vs tors. theta energy: -184.309
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: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2248.752315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.752315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.752315 (E_RNA)
where:
Base-Base interactions energy: -1514.902
where: short stacking energy: -647.066
Base-Backbone interact. energy: 3.627
local terms energy: -737.476956
where:
bonds (distance) C4'-P energy: -135.959
bonds (distance) P-C4' energy: -152.038
flat angles C4'-P-C4' energy: -147.785
flat angles P-C4'-P energy: -104.475
tors. eta vs tors. theta energy: -197.220
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: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2237.121637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.121637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.121637 (E_RNA)
where:
Base-Base interactions energy: -1528.708
where: short stacking energy: -692.144
Base-Backbone interact. energy: -3.002
local terms energy: -705.411987
where:
bonds (distance) C4'-P energy: -130.492
bonds (distance) P-C4' energy: -133.637
flat angles C4'-P-C4' energy: -153.532
flat angles P-C4'-P energy: -101.618
tors. eta vs tors. theta energy: -186.132
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: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2029.714800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.714800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.714800 (E_RNA)
where:
Base-Base interactions energy: -1373.632
where: short stacking energy: -593.796
Base-Backbone interact. energy: -1.173
local terms energy: -654.909998
where:
bonds (distance) C4'-P energy: -116.128
bonds (distance) P-C4' energy: -127.702
flat angles C4'-P-C4' energy: -146.631
flat angles P-C4'-P energy: -98.445
tors. eta vs tors. theta energy: -166.004
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: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1892.720113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.720113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.720113 (E_RNA)
where:
Base-Base interactions energy: -1271.579
where: short stacking energy: -567.262
Base-Backbone interact. energy: 0.665
local terms energy: -621.805971
where:
bonds (distance) C4'-P energy: -125.974
bonds (distance) P-C4' energy: -123.420
flat angles C4'-P-C4' energy: -138.186
flat angles P-C4'-P energy: -89.394
tors. eta vs tors. theta energy: -144.832
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: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1579.632144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.632144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.632144 (E_RNA)
where:
Base-Base interactions energy: -1047.082
where: short stacking energy: -434.295
Base-Backbone interact. energy: 1.930
local terms energy: -534.479769
where:
bonds (distance) C4'-P energy: -129.437
bonds (distance) P-C4' energy: -111.852
flat angles C4'-P-C4' energy: -122.413
flat angles P-C4'-P energy: -96.033
tors. eta vs tors. theta energy: -74.745
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: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1213.161343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.161343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.161343 (E_RNA)
where:
Base-Base interactions energy: -739.221
where: short stacking energy: -331.594
Base-Backbone interact. energy: 1.189
local terms energy: -475.129346
where:
bonds (distance) C4'-P energy: -101.683
bonds (distance) P-C4' energy: -144.368
flat angles C4'-P-C4' energy: -115.164
flat angles P-C4'-P energy: -63.454
tors. eta vs tors. theta energy: -50.460
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: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -936.483430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.483430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.483430 (E_RNA)
where:
Base-Base interactions energy: -523.715
where: short stacking energy: -263.240
Base-Backbone interact. energy: -3.600
local terms energy: -409.169068
where:
bonds (distance) C4'-P energy: -113.785
bonds (distance) P-C4' energy: -128.303
flat angles C4'-P-C4' energy: -102.043
flat angles P-C4'-P energy: -43.465
tors. eta vs tors. theta energy: -21.572
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: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -820.255272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.255272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.255272 (E_RNA)
where:
Base-Base interactions energy: -424.416
where: short stacking energy: -218.257
Base-Backbone interact. energy: 6.251
local terms energy: -402.090501
where:
bonds (distance) C4'-P energy: -110.582
bonds (distance) P-C4' energy: -127.816
flat angles C4'-P-C4' energy: -118.431
flat angles P-C4'-P energy: -58.794
tors. eta vs tors. theta energy: 13.532
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: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2447.219364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.219364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.219364 (E_RNA)
where:
Base-Base interactions energy: -1676.020
where: short stacking energy: -705.037
Base-Backbone interact. energy: -4.740
local terms energy: -766.458886
where:
bonds (distance) C4'-P energy: -147.809
bonds (distance) P-C4' energy: -148.868
flat angles C4'-P-C4' energy: -168.873
flat angles P-C4'-P energy: -106.717
tors. eta vs tors. theta energy: -194.192
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: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2374.599626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.599626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.599626 (E_RNA)
where:
Base-Base interactions energy: -1607.137
where: short stacking energy: -712.035
Base-Backbone interact. energy: -7.227
local terms energy: -760.235546
where:
bonds (distance) C4'-P energy: -152.685
bonds (distance) P-C4' energy: -133.629
flat angles C4'-P-C4' energy: -173.282
flat angles P-C4'-P energy: -110.729
tors. eta vs tors. theta energy: -189.910
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: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2241.186765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.186765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.186765 (E_RNA)
where:
Base-Base interactions energy: -1505.794
where: short stacking energy: -654.951
Base-Backbone interact. energy: -1.245
local terms energy: -734.147833
where:
bonds (distance) C4'-P energy: -140.677
bonds (distance) P-C4' energy: -141.850
flat angles C4'-P-C4' energy: -161.689
flat angles P-C4'-P energy: -107.305
tors. eta vs tors. theta energy: -182.627
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: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2185.242942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.242942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.242942 (E_RNA)
where:
Base-Base interactions energy: -1485.764
where: short stacking energy: -652.178
Base-Backbone interact. energy: 0.854
local terms energy: -700.333022
where:
bonds (distance) C4'-P energy: -142.211
bonds (distance) P-C4' energy: -131.789
flat angles C4'-P-C4' energy: -145.531
flat angles P-C4'-P energy: -101.578
tors. eta vs tors. theta energy: -179.224
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: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2011.518885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.518885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.518885 (E_RNA)
where:
Base-Base interactions energy: -1366.624
where: short stacking energy: -596.182
Base-Backbone interact. energy: -5.435
local terms energy: -639.460096
where:
bonds (distance) C4'-P energy: -121.928
bonds (distance) P-C4' energy: -126.431
flat angles C4'-P-C4' energy: -149.816
flat angles P-C4'-P energy: -79.965
tors. eta vs tors. theta energy: -161.320
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: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1912.714817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.714817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.714817 (E_RNA)
where:
Base-Base interactions energy: -1286.288
where: short stacking energy: -569.930
Base-Backbone interact. energy: -3.383
local terms energy: -623.044315
where:
bonds (distance) C4'-P energy: -111.903
bonds (distance) P-C4' energy: -120.189
flat angles C4'-P-C4' energy: -144.810
flat angles P-C4'-P energy: -86.888
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: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1548.815141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.815141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.815141 (E_RNA)
where:
Base-Base interactions energy: -997.869
where: short stacking energy: -470.803
Base-Backbone interact. energy: -1.017
local terms energy: -549.928821
where:
bonds (distance) C4'-P energy: -120.615
bonds (distance) P-C4' energy: -120.387
flat angles C4'-P-C4' energy: -128.500
flat angles P-C4'-P energy: -80.455
tors. eta vs tors. theta energy: -99.972
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: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1220.960030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.960030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.960030 (E_RNA)
where:
Base-Base interactions energy: -752.358
where: short stacking energy: -338.997
Base-Backbone interact. energy: -1.732
local terms energy: -466.869814
where:
bonds (distance) C4'-P energy: -125.957
bonds (distance) P-C4' energy: -109.539
flat angles C4'-P-C4' energy: -91.567
flat angles P-C4'-P energy: -79.826
tors. eta vs tors. theta energy: -59.981
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: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -978.082614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.082614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.082614 (E_RNA)
where:
Base-Base interactions energy: -541.648
where: short stacking energy: -301.386
Base-Backbone interact. energy: -0.663
local terms energy: -435.771584
where:
bonds (distance) C4'-P energy: -119.821
bonds (distance) P-C4' energy: -103.980
flat angles C4'-P-C4' energy: -126.128
flat angles P-C4'-P energy: -59.772
tors. eta vs tors. theta energy: -26.071
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: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -774.572771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.572771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.572771 (E_RNA)
where:
Base-Base interactions energy: -388.998
where: short stacking energy: -221.173
Base-Backbone interact. energy: 0.949
local terms energy: -386.523829
where:
bonds (distance) C4'-P energy: -111.510
bonds (distance) P-C4' energy: -118.350
flat angles C4'-P-C4' energy: -103.162
flat angles P-C4'-P energy: -68.285
tors. eta vs tors. theta energy: 14.784
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: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2454.526565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.526565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.526565 (E_RNA)
where:
Base-Base interactions energy: -1704.927
where: short stacking energy: -728.539
Base-Backbone interact. energy: 0.664
local terms energy: -750.263714
where:
bonds (distance) C4'-P energy: -135.348
bonds (distance) P-C4' energy: -142.988
flat angles C4'-P-C4' energy: -165.711
flat angles P-C4'-P energy: -104.564
tors. eta vs tors. theta energy: -201.653
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: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2341.523746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.523746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.523746 (E_RNA)
where:
Base-Base interactions energy: -1580.478
where: short stacking energy: -692.023
Base-Backbone interact. energy: -4.119
local terms energy: -756.927197
where:
bonds (distance) C4'-P energy: -149.826
bonds (distance) P-C4' energy: -154.327
flat angles C4'-P-C4' energy: -157.054
flat angles P-C4'-P energy: -109.889
tors. eta vs tors. theta energy: -185.831
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: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2261.863845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.863845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.863845 (E_RNA)
where:
Base-Base interactions energy: -1549.237
where: short stacking energy: -670.761
Base-Backbone interact. energy: 0.870
local terms energy: -713.497415
where:
bonds (distance) C4'-P energy: -121.748
bonds (distance) P-C4' energy: -136.785
flat angles C4'-P-C4' energy: -157.480
flat angles P-C4'-P energy: -107.744
tors. eta vs tors. theta energy: -189.741
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: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2166.013012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.013012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.013012 (E_RNA)
where:
Base-Base interactions energy: -1493.102
where: short stacking energy: -651.571
Base-Backbone interact. energy: -4.395
local terms energy: -668.516273
where:
bonds (distance) C4'-P energy: -120.920
bonds (distance) P-C4' energy: -134.093
flat angles C4'-P-C4' energy: -147.431
flat angles P-C4'-P energy: -84.321
tors. eta vs tors. theta energy: -181.752
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: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2061.645023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.645023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.645023 (E_RNA)
where:
Base-Base interactions energy: -1390.112
where: short stacking energy: -601.168
Base-Backbone interact. energy: 0.209
local terms energy: -671.741835
where:
bonds (distance) C4'-P energy: -135.090
bonds (distance) P-C4' energy: -121.912
flat angles C4'-P-C4' energy: -147.217
flat angles P-C4'-P energy: -102.936
tors. eta vs tors. theta energy: -164.587
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: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1882.557121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.557121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.557121 (E_RNA)
where:
Base-Base interactions energy: -1245.144
where: short stacking energy: -540.836
Base-Backbone interact. energy: -3.225
local terms energy: -634.187562
where:
bonds (distance) C4'-P energy: -128.052
bonds (distance) P-C4' energy: -150.630
flat angles C4'-P-C4' energy: -130.294
flat angles P-C4'-P energy: -80.456
tors. eta vs tors. theta energy: -144.756
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: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1565.515149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.515149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.515149 (E_RNA)
where:
Base-Base interactions energy: -1014.669
where: short stacking energy: -453.251
Base-Backbone interact. energy: 7.547
local terms energy: -558.392564
where:
bonds (distance) C4'-P energy: -130.182
bonds (distance) P-C4' energy: -120.796
flat angles C4'-P-C4' energy: -122.405
flat angles P-C4'-P energy: -89.147
tors. eta vs tors. theta energy: -95.862
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: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1240.492328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.492328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.492328 (E_RNA)
where:
Base-Base interactions energy: -743.963
where: short stacking energy: -362.100
Base-Backbone interact. energy: -4.011
local terms energy: -492.518047
where:
bonds (distance) C4'-P energy: -120.476
bonds (distance) P-C4' energy: -137.698
flat angles C4'-P-C4' energy: -98.725
flat angles P-C4'-P energy: -68.810
tors. eta vs tors. theta energy: -66.809
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: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1002.098145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.098145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.098145 (E_RNA)
where:
Base-Base interactions energy: -560.687
where: short stacking energy: -288.681
Base-Backbone interact. energy: -4.126
local terms energy: -437.285031
where:
bonds (distance) C4'-P energy: -123.204
bonds (distance) P-C4' energy: -116.025
flat angles C4'-P-C4' energy: -107.102
flat angles P-C4'-P energy: -69.695
tors. eta vs tors. theta energy: -21.259
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: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -785.329164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.329164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.329164 (E_RNA)
where:
Base-Base interactions energy: -376.763
where: short stacking energy: -207.376
Base-Backbone interact. energy: -4.658
local terms energy: -403.908053
where:
bonds (distance) C4'-P energy: -107.935
bonds (distance) P-C4' energy: -119.192
flat angles C4'-P-C4' energy: -103.949
flat angles P-C4'-P energy: -64.136
tors. eta vs tors. theta energy: -8.696
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: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2452.621314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.621314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.621314 (E_RNA)
where:
Base-Base interactions energy: -1698.829
where: short stacking energy: -715.691
Base-Backbone interact. energy: -1.216
local terms energy: -752.576944
where:
bonds (distance) C4'-P energy: -134.133
bonds (distance) P-C4' energy: -152.313
flat angles C4'-P-C4' energy: -160.674
flat angles P-C4'-P energy: -112.947
tors. eta vs tors. theta energy: -192.509
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: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2371.035558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.035558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.035558 (E_RNA)
where:
Base-Base interactions energy: -1618.906
where: short stacking energy: -681.294
Base-Backbone interact. energy: -0.812
local terms energy: -751.318340
where:
bonds (distance) C4'-P energy: -143.725
bonds (distance) P-C4' energy: -145.228
flat angles C4'-P-C4' energy: -166.813
flat angles P-C4'-P energy: -98.209
tors. eta vs tors. theta energy: -197.344
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: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2256.437396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.437396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.437396 (E_RNA)
where:
Base-Base interactions energy: -1548.638
where: short stacking energy: -681.012
Base-Backbone interact. energy: 0.104
local terms energy: -707.902565
where:
bonds (distance) C4'-P energy: -131.246
bonds (distance) P-C4' energy: -138.413
flat angles C4'-P-C4' energy: -155.678
flat angles P-C4'-P energy: -98.101
tors. eta vs tors. theta energy: -184.464
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: 4, replica: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2182.857719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.857719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.857719 (E_RNA)
where:
Base-Base interactions energy: -1476.484
where: short stacking energy: -624.536
Base-Backbone interact. energy: -2.543
local terms energy: -703.830669
where:
bonds (distance) C4'-P energy: -147.177
bonds (distance) P-C4' energy: -126.234
flat angles C4'-P-C4' energy: -159.561
flat angles P-C4'-P energy: -102.082
tors. eta vs tors. theta energy: -168.777
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: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2077.799517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.799517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.799517 (E_RNA)
where:
Base-Base interactions energy: -1409.288
where: short stacking energy: -593.496
Base-Backbone interact. energy: -3.356
local terms energy: -665.155519
where:
bonds (distance) C4'-P energy: -121.211
bonds (distance) P-C4' energy: -114.579
flat angles C4'-P-C4' energy: -163.762
flat angles P-C4'-P energy: -106.126
tors. eta vs tors. theta energy: -159.477
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: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1823.379746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.379746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.379746 (E_RNA)
where:
Base-Base interactions energy: -1221.773
where: short stacking energy: -524.648
Base-Backbone interact. energy: -1.782
local terms energy: -599.824853
where:
bonds (distance) C4'-P energy: -111.978
bonds (distance) P-C4' energy: -129.315
flat angles C4'-P-C4' energy: -129.263
flat angles P-C4'-P energy: -92.036
tors. eta vs tors. theta energy: -137.232
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: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1646.697331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.697331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.697331 (E_RNA)
where:
Base-Base interactions energy: -1078.721
where: short stacking energy: -468.600
Base-Backbone interact. energy: -4.622
local terms energy: -563.354288
where:
bonds (distance) C4'-P energy: -128.946
bonds (distance) P-C4' energy: -121.800
flat angles C4'-P-C4' energy: -116.202
flat angles P-C4'-P energy: -80.809
tors. eta vs tors. theta energy: -115.598
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: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1151.012329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.012329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.012329 (E_RNA)
where:
Base-Base interactions energy: -694.292
where: short stacking energy: -313.394
Base-Backbone interact. energy: 0.696
local terms energy: -457.416317
where:
bonds (distance) C4'-P energy: -98.241
bonds (distance) P-C4' energy: -133.243
flat angles C4'-P-C4' energy: -126.420
flat angles P-C4'-P energy: -64.047
tors. eta vs tors. theta energy: -35.466
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: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -939.929601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.929601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.929601 (E_RNA)
where:
Base-Base interactions energy: -534.873
where: short stacking energy: -296.137
Base-Backbone interact. energy: -3.605
local terms energy: -401.450743
where:
bonds (distance) C4'-P energy: -106.274
bonds (distance) P-C4' energy: -103.222
flat angles C4'-P-C4' energy: -96.094
flat angles P-C4'-P energy: -67.464
tors. eta vs tors. theta energy: -28.397
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: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -767.922924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.922924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.922924 (E_RNA)
where:
Base-Base interactions energy: -397.178
where: short stacking energy: -232.638
Base-Backbone interact. energy: 1.573
local terms energy: -372.317683
where:
bonds (distance) C4'-P energy: -104.393
bonds (distance) P-C4' energy: -120.900
flat angles C4'-P-C4' energy: -94.861
flat angles P-C4'-P energy: -54.377
tors. eta vs tors. theta energy: 2.214
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: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2492.470865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.470865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.470865 (E_RNA)
where:
Base-Base interactions energy: -1698.985
where: short stacking energy: -728.835
Base-Backbone interact. energy: -1.509
local terms energy: -791.976736
where:
bonds (distance) C4'-P energy: -157.997
bonds (distance) P-C4' energy: -148.101
flat angles C4'-P-C4' energy: -175.705
flat angles P-C4'-P energy: -114.794
tors. eta vs tors. theta energy: -195.380
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: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2322.251444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.251444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.251444 (E_RNA)
where:
Base-Base interactions energy: -1578.753
where: short stacking energy: -668.301
Base-Backbone interact. energy: -7.031
local terms energy: -736.467257
where:
bonds (distance) C4'-P energy: -145.678
bonds (distance) P-C4' energy: -152.189
flat angles C4'-P-C4' energy: -166.661
flat angles P-C4'-P energy: -96.879
tors. eta vs tors. theta energy: -175.060
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: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2273.309803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.309803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.309803 (E_RNA)
where:
Base-Base interactions energy: -1524.436
where: short stacking energy: -657.590
Base-Backbone interact. energy: -3.458
local terms energy: -745.415431
where:
bonds (distance) C4'-P energy: -141.512
bonds (distance) P-C4' energy: -135.536
flat angles C4'-P-C4' energy: -163.132
flat angles P-C4'-P energy: -111.059
tors. eta vs tors. theta energy: -194.176
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: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2122.796718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.796718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.796718 (E_RNA)
where:
Base-Base interactions energy: -1449.744
where: short stacking energy: -618.394
Base-Backbone interact. energy: 0.410
local terms energy: -673.462281
where:
bonds (distance) C4'-P energy: -129.296
bonds (distance) P-C4' energy: -140.901
flat angles C4'-P-C4' energy: -149.494
flat angles P-C4'-P energy: -90.354
tors. eta vs tors. theta energy: -163.418
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: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2064.002623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.002623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.002623 (E_RNA)
where:
Base-Base interactions energy: -1401.437
where: short stacking energy: -619.616
Base-Backbone interact. energy: -5.131
local terms energy: -657.434889
where:
bonds (distance) C4'-P energy: -126.313
bonds (distance) P-C4' energy: -118.552
flat angles C4'-P-C4' energy: -138.183
flat angles P-C4'-P energy: -98.047
tors. eta vs tors. theta energy: -176.340
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: 110
Temperature: 1.150000
Total energy: -1858.563742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.563742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.563742 (E_RNA)
where:
Base-Base interactions energy: -1266.436
where: short stacking energy: -555.874
Base-Backbone interact. energy: 2.436
local terms energy: -594.563541
where:
bonds (distance) C4'-P energy: -114.936
bonds (distance) P-C4' energy: -127.455
flat angles C4'-P-C4' energy: -141.222
flat angles P-C4'-P energy: -79.004
tors. eta vs tors. theta energy: -131.946
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: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1622.045245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.045245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.045245 (E_RNA)
where:
Base-Base interactions energy: -1046.729
where: short stacking energy: -468.177
Base-Backbone interact. energy: 1.444
local terms energy: -576.760207
where:
bonds (distance) C4'-P energy: -126.963
bonds (distance) P-C4' energy: -126.453
flat angles C4'-P-C4' energy: -145.039
flat angles P-C4'-P energy: -91.264
tors. eta vs tors. theta energy: -87.041
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: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1115.421086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.421086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.421086 (E_RNA)
where:
Base-Base interactions energy: -675.355
where: short stacking energy: -340.367
Base-Backbone interact. energy: -4.272
local terms energy: -435.794855
where:
bonds (distance) C4'-P energy: -118.992
bonds (distance) P-C4' energy: -112.988
flat angles C4'-P-C4' energy: -105.438
flat angles P-C4'-P energy: -65.388
tors. eta vs tors. theta energy: -32.988
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: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -932.807572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.807572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.807572 (E_RNA)
where:
Base-Base interactions energy: -500.055
where: short stacking energy: -261.070
Base-Backbone interact. energy: 3.118
local terms energy: -435.871136
where:
bonds (distance) C4'-P energy: -123.784
bonds (distance) P-C4' energy: -136.971
flat angles C4'-P-C4' energy: -107.904
flat angles P-C4'-P energy: -55.043
tors. eta vs tors. theta energy: -12.169
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: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -802.113708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.113708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.113708 (E_RNA)
where:
Base-Base interactions energy: -387.208
where: short stacking energy: -227.864
Base-Backbone interact. energy: -1.303
local terms energy: -413.602199
where:
bonds (distance) C4'-P energy: -123.733
bonds (distance) P-C4' energy: -129.970
flat angles C4'-P-C4' energy: -103.546
flat angles P-C4'-P energy: -67.872
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: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2470.880559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.880559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.880559 (E_RNA)
where:
Base-Base interactions energy: -1696.737
where: short stacking energy: -738.418
Base-Backbone interact. energy: 1.393
local terms energy: -775.536687
where:
bonds (distance) C4'-P energy: -134.242
bonds (distance) P-C4' energy: -148.771
flat angles C4'-P-C4' energy: -171.783
flat angles P-C4'-P energy: -114.384
tors. eta vs tors. theta energy: -206.356
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: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2323.585156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.585156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.585156 (E_RNA)
where:
Base-Base interactions energy: -1584.470
where: short stacking energy: -677.313
Base-Backbone interact. energy: -6.392
local terms energy: -732.723603
where:
bonds (distance) C4'-P energy: -142.981
bonds (distance) P-C4' energy: -133.447
flat angles C4'-P-C4' energy: -157.739
flat angles P-C4'-P energy: -100.556
tors. eta vs tors. theta energy: -198.000
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: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2270.945514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.945514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.945514 (E_RNA)
where:
Base-Base interactions energy: -1549.676
where: short stacking energy: -663.735
Base-Backbone interact. energy: -4.438
local terms energy: -716.831391
where:
bonds (distance) C4'-P energy: -127.517
bonds (distance) P-C4' energy: -129.900
flat angles C4'-P-C4' energy: -160.262
flat angles P-C4'-P energy: -110.232
tors. eta vs tors. theta energy: -188.920
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: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2179.127893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.127893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.127893 (E_RNA)
where:
Base-Base interactions energy: -1524.287
where: short stacking energy: -658.628
Base-Backbone interact. energy: -4.955
local terms energy: -649.886597
where:
bonds (distance) C4'-P energy: -84.631
bonds (distance) P-C4' energy: -149.179
flat angles C4'-P-C4' energy: -156.538
flat angles P-C4'-P energy: -97.902
tors. eta vs tors. theta energy: -161.636
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: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2073.657871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.657871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.657871 (E_RNA)
where:
Base-Base interactions energy: -1409.983
where: short stacking energy: -618.424
Base-Backbone interact. energy: -2.826
local terms energy: -660.848000
where:
bonds (distance) C4'-P energy: -116.157
bonds (distance) P-C4' energy: -129.522
flat angles C4'-P-C4' energy: -157.091
flat angles P-C4'-P energy: -93.468
tors. eta vs tors. theta energy: -164.609
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: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1824.931831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.931831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.931831 (E_RNA)
where:
Base-Base interactions energy: -1219.151
where: short stacking energy: -531.478
Base-Backbone interact. energy: -1.611
local terms energy: -604.169301
where:
bonds (distance) C4'-P energy: -122.484
bonds (distance) P-C4' energy: -130.413
flat angles C4'-P-C4' energy: -141.036
flat angles P-C4'-P energy: -78.955
tors. eta vs tors. theta energy: -131.282
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: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1626.634834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.634834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.634834 (E_RNA)
where:
Base-Base interactions energy: -1060.665
where: short stacking energy: -449.032
Base-Backbone interact. energy: -2.081
local terms energy: -563.889029
where:
bonds (distance) C4'-P energy: -134.424
bonds (distance) P-C4' energy: -112.740
flat angles C4'-P-C4' energy: -134.313
flat angles P-C4'-P energy: -72.722
tors. eta vs tors. theta energy: -109.690
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: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1148.298435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.298435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.298435 (E_RNA)
where:
Base-Base interactions energy: -663.587
where: short stacking energy: -320.729
Base-Backbone interact. energy: -1.230
local terms energy: -483.481140
where:
bonds (distance) C4'-P energy: -135.284
bonds (distance) P-C4' energy: -123.863
flat angles C4'-P-C4' energy: -122.932
flat angles P-C4'-P energy: -47.360
tors. eta vs tors. theta energy: -54.043
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: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1021.568673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.568673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.568673 (E_RNA)
where:
Base-Base interactions energy: -595.282
where: short stacking energy: -301.166
Base-Backbone interact. energy: -1.875
local terms energy: -424.411748
where:
bonds (distance) C4'-P energy: -102.502
bonds (distance) P-C4' energy: -116.992
flat angles C4'-P-C4' energy: -100.618
flat angles P-C4'-P energy: -73.006
tors. eta vs tors. theta energy: -31.293
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: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -806.081579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.081579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.081579 (E_RNA)
where:
Base-Base interactions energy: -437.832
where: short stacking energy: -241.565
Base-Backbone interact. energy: 0.267
local terms energy: -368.515901
where:
bonds (distance) C4'-P energy: -113.418
bonds (distance) P-C4' energy: -132.007
flat angles C4'-P-C4' energy: -86.666
flat angles P-C4'-P energy: -32.366
tors. eta vs tors. theta energy: -4.059
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: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2488.861544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.861544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.861544 (E_RNA)
where:
Base-Base interactions energy: -1694.460
where: short stacking energy: -736.552
Base-Backbone interact. energy: 1.097
local terms energy: -795.498863
where:
bonds (distance) C4'-P energy: -153.261
bonds (distance) P-C4' energy: -152.736
flat angles C4'-P-C4' energy: -166.664
flat angles P-C4'-P energy: -119.538
tors. eta vs tors. theta energy: -203.299
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: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2348.095777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.095777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.095777 (E_RNA)
where:
Base-Base interactions energy: -1596.631
where: short stacking energy: -697.218
Base-Backbone interact. energy: -1.089
local terms energy: -750.375605
where:
bonds (distance) C4'-P energy: -151.988
bonds (distance) P-C4' energy: -129.684
flat angles C4'-P-C4' energy: -161.208
flat angles P-C4'-P energy: -110.174
tors. eta vs tors. theta energy: -197.321
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: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2260.491067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.491067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.491067 (E_RNA)
where:
Base-Base interactions energy: -1553.420
where: short stacking energy: -657.829
Base-Backbone interact. energy: 1.772
local terms energy: -708.843704
where:
bonds (distance) C4'-P energy: -133.776
bonds (distance) P-C4' energy: -131.861
flat angles C4'-P-C4' energy: -155.636
flat angles P-C4'-P energy: -107.730
tors. eta vs tors. theta energy: -179.841
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: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2165.681016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.681016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.681016 (E_RNA)
where:
Base-Base interactions energy: -1480.617
where: short stacking energy: -627.408
Base-Backbone interact. energy: 5.559
local terms energy: -690.622807
where:
bonds (distance) C4'-P energy: -126.938
bonds (distance) P-C4' energy: -129.682
flat angles C4'-P-C4' energy: -159.083
flat angles P-C4'-P energy: -109.536
tors. eta vs tors. theta energy: -165.385
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: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2000.857648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.857648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.857648 (E_RNA)
where:
Base-Base interactions energy: -1334.303
where: short stacking energy: -550.567
Base-Backbone interact. energy: -5.080
local terms energy: -661.475216
where:
bonds (distance) C4'-P energy: -134.842
bonds (distance) P-C4' energy: -145.472
flat angles C4'-P-C4' energy: -142.433
flat angles P-C4'-P energy: -92.791
tors. eta vs tors. theta energy: -145.938
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: 112
Temperature: 1.150000
Total energy: -1912.512461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.512461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.512461 (E_RNA)
where:
Base-Base interactions energy: -1262.144
where: short stacking energy: -554.650
Base-Backbone interact. energy: -0.905
local terms energy: -649.463535
where:
bonds (distance) C4'-P energy: -130.509
bonds (distance) P-C4' energy: -134.909
flat angles C4'-P-C4' energy: -150.635
flat angles P-C4'-P energy: -84.119
tors. eta vs tors. theta energy: -149.292
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: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1628.591092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.591092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.591092 (E_RNA)
where:
Base-Base interactions energy: -1073.090
where: short stacking energy: -473.269
Base-Backbone interact. energy: 1.575
local terms energy: -557.076301
where:
bonds (distance) C4'-P energy: -98.272
bonds (distance) P-C4' energy: -137.846
flat angles C4'-P-C4' energy: -131.968
flat angles P-C4'-P energy: -76.970
tors. eta vs tors. theta energy: -112.021
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: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1113.513255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.513255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.513255 (E_RNA)
where:
Base-Base interactions energy: -654.042
where: short stacking energy: -339.185
Base-Backbone interact. energy: 0.142
local terms energy: -459.613361
where:
bonds (distance) C4'-P energy: -109.022
bonds (distance) P-C4' energy: -112.037
flat angles C4'-P-C4' energy: -121.139
flat angles P-C4'-P energy: -78.486
tors. eta vs tors. theta energy: -38.930
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: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -903.433171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.433171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.433171 (E_RNA)
where:
Base-Base interactions energy: -504.943
where: short stacking energy: -260.765
Base-Backbone interact. energy: 1.276
local terms energy: -399.765549
where:
bonds (distance) C4'-P energy: -93.733
bonds (distance) P-C4' energy: -127.322
flat angles C4'-P-C4' energy: -100.966
flat angles P-C4'-P energy: -70.710
tors. eta vs tors. theta energy: -7.034
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: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -899.142781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.142781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.142781 (E_RNA)
where:
Base-Base interactions energy: -502.464
where: short stacking energy: -261.627
Base-Backbone interact. energy: 0.724
local terms energy: -397.403124
where:
bonds (distance) C4'-P energy: -108.634
bonds (distance) P-C4' energy: -142.066
flat angles C4'-P-C4' energy: -84.002
flat angles P-C4'-P energy: -48.730
tors. eta vs tors. theta energy: -13.970
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: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2485.969869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.969869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.969869 (E_RNA)
where:
Base-Base interactions energy: -1737.625
where: short stacking energy: -723.054
Base-Backbone interact. energy: -2.221
local terms energy: -746.124357
where:
bonds (distance) C4'-P energy: -135.715
bonds (distance) P-C4' energy: -146.703
flat angles C4'-P-C4' energy: -169.003
flat angles P-C4'-P energy: -93.166
tors. eta vs tors. theta energy: -201.536
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: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2350.052187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.052187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.052187 (E_RNA)
where:
Base-Base interactions energy: -1595.806
where: short stacking energy: -694.852
Base-Backbone interact. energy: -3.376
local terms energy: -750.870029
where:
bonds (distance) C4'-P energy: -140.629
bonds (distance) P-C4' energy: -144.227
flat angles C4'-P-C4' energy: -157.929
flat angles P-C4'-P energy: -108.487
tors. eta vs tors. theta energy: -199.599
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: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2274.633076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.633076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.633076 (E_RNA)
where:
Base-Base interactions energy: -1555.914
where: short stacking energy: -653.625
Base-Backbone interact. energy: 3.470
local terms energy: -722.189247
where:
bonds (distance) C4'-P energy: -129.696
bonds (distance) P-C4' energy: -147.243
flat angles C4'-P-C4' energy: -151.787
flat angles P-C4'-P energy: -114.509
tors. eta vs tors. theta energy: -178.954
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: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2171.322866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.322866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.322866 (E_RNA)
where:
Base-Base interactions energy: -1482.293
where: short stacking energy: -636.747
Base-Backbone interact. energy: -2.745
local terms energy: -686.284803
where:
bonds (distance) C4'-P energy: -107.015
bonds (distance) P-C4' energy: -131.337
flat angles C4'-P-C4' energy: -155.654
flat angles P-C4'-P energy: -105.027
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: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2022.548918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.548918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.548918 (E_RNA)
where:
Base-Base interactions energy: -1356.178
where: short stacking energy: -594.052
Base-Backbone interact. energy: -2.211
local terms energy: -664.160177
where:
bonds (distance) C4'-P energy: -128.078
bonds (distance) P-C4' energy: -155.668
flat angles C4'-P-C4' energy: -128.878
flat angles P-C4'-P energy: -98.509
tors. eta vs tors. theta energy: -153.027
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: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1851.579673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.579673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.579673 (E_RNA)
where:
Base-Base interactions energy: -1275.475
where: short stacking energy: -557.710
Base-Backbone interact. energy: -0.534
local terms energy: -575.571034
where:
bonds (distance) C4'-P energy: -130.171
bonds (distance) P-C4' energy: -118.479
flat angles C4'-P-C4' energy: -108.437
flat angles P-C4'-P energy: -76.047
tors. eta vs tors. theta energy: -142.436
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: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1636.480930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.480930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.480930 (E_RNA)
where:
Base-Base interactions energy: -1090.180
where: short stacking energy: -482.637
Base-Backbone interact. energy: -4.385
local terms energy: -541.916214
where:
bonds (distance) C4'-P energy: -118.395
bonds (distance) P-C4' energy: -133.009
flat angles C4'-P-C4' energy: -120.345
flat angles P-C4'-P energy: -73.557
tors. eta vs tors. theta energy: -96.611
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: 113
Temperature: 1.250000
Total energy: -1131.216380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.216380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.216380 (E_RNA)
where:
Base-Base interactions energy: -700.028
where: short stacking energy: -334.956
Base-Backbone interact. energy: 6.761
local terms energy: -437.949940
where:
bonds (distance) C4'-P energy: -100.941
bonds (distance) P-C4' energy: -116.635
flat angles C4'-P-C4' energy: -116.509
flat angles P-C4'-P energy: -53.236
tors. eta vs tors. theta energy: -50.628
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: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -855.115969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.115969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.115969 (E_RNA)
where:
Base-Base interactions energy: -433.914
where: short stacking energy: -243.317
Base-Backbone interact. energy: 0.198
local terms energy: -421.399992
where:
bonds (distance) C4'-P energy: -118.151
bonds (distance) P-C4' energy: -137.764
flat angles C4'-P-C4' energy: -98.349
flat angles P-C4'-P energy: -61.426
tors. eta vs tors. theta energy: -5.710
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: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -858.002315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.002315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.002315 (E_RNA)
where:
Base-Base interactions energy: -489.348
where: short stacking energy: -248.213
Base-Backbone interact. energy: 2.213
local terms energy: -370.868040
where:
bonds (distance) C4'-P energy: -100.982
bonds (distance) P-C4' energy: -135.200
flat angles C4'-P-C4' energy: -86.245
flat angles P-C4'-P energy: -54.132
tors. eta vs tors. theta energy: 5.692
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: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2438.280797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.280797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.280797 (E_RNA)
where:
Base-Base interactions energy: -1664.114
where: short stacking energy: -720.320
Base-Backbone interact. energy: -3.099
local terms energy: -771.067907
where:
bonds (distance) C4'-P energy: -140.753
bonds (distance) P-C4' energy: -152.702
flat angles C4'-P-C4' energy: -162.291
flat angles P-C4'-P energy: -110.225
tors. eta vs tors. theta energy: -205.096
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: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2398.014668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.014668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.014668 (E_RNA)
where:
Base-Base interactions energy: -1661.385
where: short stacking energy: -682.688
Base-Backbone interact. energy: -3.433
local terms energy: -733.195863
where:
bonds (distance) C4'-P energy: -143.062
bonds (distance) P-C4' energy: -147.590
flat angles C4'-P-C4' energy: -149.171
flat angles P-C4'-P energy: -112.238
tors. eta vs tors. theta energy: -181.136
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: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2284.794853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.794853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.794853 (E_RNA)
where:
Base-Base interactions energy: -1595.420
where: short stacking energy: -670.493
Base-Backbone interact. energy: -4.033
local terms energy: -685.341471
where:
bonds (distance) C4'-P energy: -118.618
bonds (distance) P-C4' energy: -125.423
flat angles C4'-P-C4' energy: -150.971
flat angles P-C4'-P energy: -117.922
tors. eta vs tors. theta energy: -172.408
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: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2159.401040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.401040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.401040 (E_RNA)
where:
Base-Base interactions energy: -1446.614
where: short stacking energy: -639.599
Base-Backbone interact. energy: -2.793
local terms energy: -709.993941
where:
bonds (distance) C4'-P energy: -126.776
bonds (distance) P-C4' energy: -142.279
flat angles C4'-P-C4' energy: -160.786
flat angles P-C4'-P energy: -106.859
tors. eta vs tors. theta energy: -173.294
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: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2041.983208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.983208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.983208 (E_RNA)
where:
Base-Base interactions energy: -1392.894
where: short stacking energy: -608.014
Base-Backbone interact. energy: -2.347
local terms energy: -646.741858
where:
bonds (distance) C4'-P energy: -109.128
bonds (distance) P-C4' energy: -129.070
flat angles C4'-P-C4' energy: -131.954
flat angles P-C4'-P energy: -100.893
tors. eta vs tors. theta energy: -175.697
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: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1926.620021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.620021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.620021 (E_RNA)
where:
Base-Base interactions energy: -1280.843
where: short stacking energy: -569.434
Base-Backbone interact. energy: -0.678
local terms energy: -645.099316
where:
bonds (distance) C4'-P energy: -125.047
bonds (distance) P-C4' energy: -133.914
flat angles C4'-P-C4' energy: -138.441
flat angles P-C4'-P energy: -100.117
tors. eta vs tors. theta energy: -147.579
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: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1651.002223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.002223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.002223 (E_RNA)
where:
Base-Base interactions energy: -1101.811
where: short stacking energy: -495.072
Base-Backbone interact. energy: 1.347
local terms energy: -550.538238
where:
bonds (distance) C4'-P energy: -116.838
bonds (distance) P-C4' energy: -115.663
flat angles C4'-P-C4' energy: -138.524
flat angles P-C4'-P energy: -73.968
tors. eta vs tors. theta energy: -105.546
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: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1120.965031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.965031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.965031 (E_RNA)
where:
Base-Base interactions energy: -649.094
where: short stacking energy: -340.088
Base-Backbone interact. energy: 4.511
local terms energy: -476.381840
where:
bonds (distance) C4'-P energy: -116.488
bonds (distance) P-C4' energy: -119.856
flat angles C4'-P-C4' energy: -105.188
flat angles P-C4'-P energy: -83.520
tors. eta vs tors. theta energy: -51.329
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: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -902.615943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.615943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.615943 (E_RNA)
where:
Base-Base interactions energy: -473.481
where: short stacking energy: -252.138
Base-Backbone interact. energy: -1.485
local terms energy: -427.650309
where:
bonds (distance) C4'-P energy: -119.417
bonds (distance) P-C4' energy: -130.838
flat angles C4'-P-C4' energy: -121.771
flat angles P-C4'-P energy: -55.888
tors. eta vs tors. theta energy: 0.263
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: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -775.857892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.857892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.857892 (E_RNA)
where:
Base-Base interactions energy: -395.507
where: short stacking energy: -218.332
Base-Backbone interact. energy: -0.689
local terms energy: -379.661388
where:
bonds (distance) C4'-P energy: -120.244
bonds (distance) P-C4' energy: -114.768
flat angles C4'-P-C4' energy: -117.543
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: 9.642
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: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2435.698435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.698435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.698435 (E_RNA)
where:
Base-Base interactions energy: -1630.909
where: short stacking energy: -717.020
Base-Backbone interact. energy: -1.342
local terms energy: -803.447601
where:
bonds (distance) C4'-P energy: -156.683
bonds (distance) P-C4' energy: -153.551
flat angles C4'-P-C4' energy: -163.909
flat angles P-C4'-P energy: -114.356
tors. eta vs tors. theta energy: -214.949
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2421.211577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.211577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.211577 (E_RNA)
where:
Base-Base interactions energy: -1663.379
where: short stacking energy: -709.852
Base-Backbone interact. energy: -6.967
local terms energy: -750.865386
where:
bonds (distance) C4'-P energy: -124.963
bonds (distance) P-C4' energy: -147.302
flat angles C4'-P-C4' energy: -167.912
flat angles P-C4'-P energy: -107.772
tors. eta vs tors. theta energy: -202.916
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: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2268.392118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.392118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.392118 (E_RNA)
where:
Base-Base interactions energy: -1550.695
where: short stacking energy: -682.786
Base-Backbone interact. energy: -6.228
local terms energy: -711.468874
where:
bonds (distance) C4'-P energy: -138.056
bonds (distance) P-C4' energy: -145.252
flat angles C4'-P-C4' energy: -147.646
flat angles P-C4'-P energy: -103.336
tors. eta vs tors. theta energy: -177.179
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: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2189.782558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.782558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.782558 (E_RNA)
where:
Base-Base interactions energy: -1481.182
where: short stacking energy: -663.948
Base-Backbone interact. energy: -3.277
local terms energy: -705.323570
where:
bonds (distance) C4'-P energy: -148.690
bonds (distance) P-C4' energy: -121.192
flat angles C4'-P-C4' energy: -158.003
flat angles P-C4'-P energy: -90.377
tors. eta vs tors. theta energy: -187.062
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: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2135.674384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.674384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.674384 (E_RNA)
where:
Base-Base interactions energy: -1462.114
where: short stacking energy: -635.698
Base-Backbone interact. energy: -1.256
local terms energy: -672.304218
where:
bonds (distance) C4'-P energy: -118.774
bonds (distance) P-C4' energy: -128.683
flat angles C4'-P-C4' energy: -154.334
flat angles P-C4'-P energy: -96.346
tors. eta vs tors. theta energy: -174.168
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: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1898.789885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.789885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.789885 (E_RNA)
where:
Base-Base interactions energy: -1259.759
where: short stacking energy: -540.689
Base-Backbone interact. energy: -0.241
local terms energy: -638.789455
where:
bonds (distance) C4'-P energy: -135.987
bonds (distance) P-C4' energy: -118.014
flat angles C4'-P-C4' energy: -144.370
flat angles P-C4'-P energy: -93.024
tors. eta vs tors. theta energy: -147.394
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: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1719.756742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.756742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.756742 (E_RNA)
where:
Base-Base interactions energy: -1127.934
where: short stacking energy: -488.022
Base-Backbone interact. energy: -1.784
local terms energy: -590.038196
where:
bonds (distance) C4'-P energy: -111.892
bonds (distance) P-C4' energy: -120.603
flat angles C4'-P-C4' energy: -125.521
flat angles P-C4'-P energy: -102.839
tors. eta vs tors. theta energy: -129.183
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: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1117.717943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.717943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.717943 (E_RNA)
where:
Base-Base interactions energy: -657.581
where: short stacking energy: -336.105
Base-Backbone interact. energy: -0.974
local terms energy: -459.163055
where:
bonds (distance) C4'-P energy: -104.770
bonds (distance) P-C4' energy: -110.580
flat angles C4'-P-C4' energy: -127.688
flat angles P-C4'-P energy: -77.330
tors. eta vs tors. theta energy: -38.796
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: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -848.616075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.616075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.616075 (E_RNA)
where:
Base-Base interactions energy: -434.044
where: short stacking energy: -261.009
Base-Backbone interact. energy: -3.283
local terms energy: -411.288673
where:
bonds (distance) C4'-P energy: -98.694
bonds (distance) P-C4' energy: -123.967
flat angles C4'-P-C4' energy: -102.282
flat angles P-C4'-P energy: -73.590
tors. eta vs tors. theta energy: -12.756
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: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -782.006409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.006409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.006409 (E_RNA)
where:
Base-Base interactions energy: -385.300
where: short stacking energy: -252.474
Base-Backbone interact. energy: 1.878
local terms energy: -398.584238
where:
bonds (distance) C4'-P energy: -106.894
bonds (distance) P-C4' energy: -125.320
flat angles C4'-P-C4' energy: -98.531
flat angles P-C4'-P energy: -56.215
tors. eta vs tors. theta energy: -11.623
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: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2521.152494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.152494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.152494 (E_RNA)
where:
Base-Base interactions energy: -1747.842
where: short stacking energy: -744.227
Base-Backbone interact. energy: -3.214
local terms energy: -770.096464
where:
bonds (distance) C4'-P energy: -150.321
bonds (distance) P-C4' energy: -136.328
flat angles C4'-P-C4' energy: -164.413
flat angles P-C4'-P energy: -103.021
tors. eta vs tors. theta energy: -216.014
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: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2385.558218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.558218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.558218 (E_RNA)
where:
Base-Base interactions energy: -1661.445
where: short stacking energy: -714.571
Base-Backbone interact. energy: -2.016
local terms energy: -722.097422
where:
bonds (distance) C4'-P energy: -116.616
bonds (distance) P-C4' energy: -135.311
flat angles C4'-P-C4' energy: -167.386
flat angles P-C4'-P energy: -106.940
tors. eta vs tors. theta energy: -195.845
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: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2226.275458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.275458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.275458 (E_RNA)
where:
Base-Base interactions energy: -1521.459
where: short stacking energy: -636.813
Base-Backbone interact. energy: -7.486
local terms energy: -697.330078
where:
bonds (distance) C4'-P energy: -138.627
bonds (distance) P-C4' energy: -129.092
flat angles C4'-P-C4' energy: -146.329
flat angles P-C4'-P energy: -108.221
tors. eta vs tors. theta energy: -175.060
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: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2284.591360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.591360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.591360 (E_RNA)
where:
Base-Base interactions energy: -1568.502
where: short stacking energy: -690.740
Base-Backbone interact. energy: -0.686
local terms energy: -715.402940
where:
bonds (distance) C4'-P energy: -118.648
bonds (distance) P-C4' energy: -143.942
flat angles C4'-P-C4' energy: -155.816
flat angles P-C4'-P energy: -104.442
tors. eta vs tors. theta energy: -192.555
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: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2116.622141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.622141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.622141 (E_RNA)
where:
Base-Base interactions energy: -1439.384
where: short stacking energy: -640.352
Base-Backbone interact. energy: -2.337
local terms energy: -674.901935
where:
bonds (distance) C4'-P energy: -119.273
bonds (distance) P-C4' energy: -141.032
flat angles C4'-P-C4' energy: -131.869
flat angles P-C4'-P energy: -87.176
tors. eta vs tors. theta energy: -195.552
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: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1921.789862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.789862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.789862 (E_RNA)
where:
Base-Base interactions energy: -1277.118
where: short stacking energy: -561.316
Base-Backbone interact. energy: 0.155
local terms energy: -644.827565
where:
bonds (distance) C4'-P energy: -128.722
bonds (distance) P-C4' energy: -143.560
flat angles C4'-P-C4' energy: -136.957
flat angles P-C4'-P energy: -83.244
tors. eta vs tors. theta energy: -152.345
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: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1693.116420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.116420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.116420 (E_RNA)
where:
Base-Base interactions energy: -1111.844
where: short stacking energy: -482.575
Base-Backbone interact. energy: -0.654
local terms energy: -580.618727
where:
bonds (distance) C4'-P energy: -112.309
bonds (distance) P-C4' energy: -136.236
flat angles C4'-P-C4' energy: -140.209
flat angles P-C4'-P energy: -72.674
tors. eta vs tors. theta energy: -119.190
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: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1112.810883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.810883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.810883 (E_RNA)
where:
Base-Base interactions energy: -655.850
where: short stacking energy: -302.966
Base-Backbone interact. energy: 0.245
local terms energy: -457.205311
where:
bonds (distance) C4'-P energy: -90.130
bonds (distance) P-C4' energy: -120.499
flat angles C4'-P-C4' energy: -131.963
flat angles P-C4'-P energy: -75.055
tors. eta vs tors. theta energy: -39.558
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: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -851.461479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.461479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.461479 (E_RNA)
where:
Base-Base interactions energy: -409.202
where: short stacking energy: -233.103
Base-Backbone interact. energy: -3.288
local terms energy: -438.970830
where:
bonds (distance) C4'-P energy: -105.279
bonds (distance) P-C4' energy: -124.111
flat angles C4'-P-C4' energy: -130.734
flat angles P-C4'-P energy: -86.169
tors. eta vs tors. theta energy: 7.322
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: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -788.329915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.329915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.329915 (E_RNA)
where:
Base-Base interactions energy: -389.628
where: short stacking energy: -229.890
Base-Backbone interact. energy: -1.640
local terms energy: -397.061235
where:
bonds (distance) C4'-P energy: -104.695
bonds (distance) P-C4' energy: -123.379
flat angles C4'-P-C4' energy: -109.238
flat angles P-C4'-P energy: -60.722
tors. eta vs tors. theta energy: 0.973
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: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2496.625056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.625056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.625056 (E_RNA)
where:
Base-Base interactions energy: -1712.768
where: short stacking energy: -734.722
Base-Backbone interact. energy: -5.929
local terms energy: -777.928448
where:
bonds (distance) C4'-P energy: -138.319
bonds (distance) P-C4' energy: -154.808
flat angles C4'-P-C4' energy: -171.393
flat angles P-C4'-P energy: -104.654
tors. eta vs tors. theta energy: -208.754
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: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2403.851248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.851248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.851248 (E_RNA)
where:
Base-Base interactions energy: -1614.918
where: short stacking energy: -720.511
Base-Backbone interact. energy: -1.464
local terms energy: -787.468901
where:
bonds (distance) C4'-P energy: -139.049
bonds (distance) P-C4' energy: -146.874
flat angles C4'-P-C4' energy: -180.943
flat angles P-C4'-P energy: -114.855
tors. eta vs tors. theta energy: -205.747
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: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2252.668822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.668822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.668822 (E_RNA)
where:
Base-Base interactions energy: -1536.964
where: short stacking energy: -647.157
Base-Backbone interact. energy: -5.845
local terms energy: -709.859761
where:
bonds (distance) C4'-P energy: -129.870
bonds (distance) P-C4' energy: -150.716
flat angles C4'-P-C4' energy: -157.768
flat angles P-C4'-P energy: -100.288
tors. eta vs tors. theta energy: -171.218
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: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2287.715218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.715218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.715218 (E_RNA)
where:
Base-Base interactions energy: -1576.215
where: short stacking energy: -661.621
Base-Backbone interact. energy: -0.929
local terms energy: -710.570514
where:
bonds (distance) C4'-P energy: -134.212
bonds (distance) P-C4' energy: -122.792
flat angles C4'-P-C4' energy: -152.474
flat angles P-C4'-P energy: -108.092
tors. eta vs tors. theta energy: -193.001
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: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2166.386677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.386677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.386677 (E_RNA)
where:
Base-Base interactions energy: -1475.783
where: short stacking energy: -616.989
Base-Backbone interact. energy: -0.884
local terms energy: -689.720457
where:
bonds (distance) C4'-P energy: -120.110
bonds (distance) P-C4' energy: -141.942
flat angles C4'-P-C4' energy: -152.696
flat angles P-C4'-P energy: -102.685
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: 117
Temperature: 1.150000
Total energy: -1933.296246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.296246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.296246 (E_RNA)
where:
Base-Base interactions energy: -1307.802
where: short stacking energy: -575.140
Base-Backbone interact. energy: -2.651
local terms energy: -622.842708
where:
bonds (distance) C4'-P energy: -128.409
bonds (distance) P-C4' energy: -119.750
flat angles C4'-P-C4' energy: -132.689
flat angles P-C4'-P energy: -80.123
tors. eta vs tors. theta energy: -161.871
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: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1695.828647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.828647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.828647 (E_RNA)
where:
Base-Base interactions energy: -1130.778
where: short stacking energy: -504.228
Base-Backbone interact. energy: -1.094
local terms energy: -563.956904
where:
bonds (distance) C4'-P energy: -128.425
bonds (distance) P-C4' energy: -110.414
flat angles C4'-P-C4' energy: -131.142
flat angles P-C4'-P energy: -65.558
tors. eta vs tors. theta energy: -128.418
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: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1139.168551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.168551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.168551 (E_RNA)
where:
Base-Base interactions energy: -672.628
where: short stacking energy: -335.334
Base-Backbone interact. energy: 11.228
local terms energy: -477.767984
where:
bonds (distance) C4'-P energy: -117.273
bonds (distance) P-C4' energy: -128.427
flat angles C4'-P-C4' energy: -116.128
flat angles P-C4'-P energy: -73.984
tors. eta vs tors. theta energy: -41.956
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: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -827.470679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.470679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.470679 (E_RNA)
where:
Base-Base interactions energy: -406.258
where: short stacking energy: -238.528
Base-Backbone interact. energy: 6.082
local terms energy: -427.294251
where:
bonds (distance) C4'-P energy: -121.158
bonds (distance) P-C4' energy: -119.524
flat angles C4'-P-C4' energy: -109.471
flat angles P-C4'-P energy: -68.652
tors. eta vs tors. theta energy: -8.489
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: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -771.138057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.138057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.138057 (E_RNA)
where:
Base-Base interactions energy: -383.793
where: short stacking energy: -203.710
Base-Backbone interact. energy: 1.850
local terms energy: -389.194549
where:
bonds (distance) C4'-P energy: -111.691
bonds (distance) P-C4' energy: -119.402
flat angles C4'-P-C4' energy: -122.092
flat angles P-C4'-P energy: -41.407
tors. eta vs tors. theta energy: 5.397
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: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2483.193679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.193679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.193679 (E_RNA)
where:
Base-Base interactions energy: -1676.502
where: short stacking energy: -737.275
Base-Backbone interact. energy: -4.585
local terms energy: -802.106219
where:
bonds (distance) C4'-P energy: -144.754
bonds (distance) P-C4' energy: -161.938
flat angles C4'-P-C4' energy: -178.845
flat angles P-C4'-P energy: -99.193
tors. eta vs tors. theta energy: -217.377
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: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2360.286496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.286496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.286496 (E_RNA)
where:
Base-Base interactions energy: -1622.271
where: short stacking energy: -696.065
Base-Backbone interact. energy: -4.282
local terms energy: -733.732951
where:
bonds (distance) C4'-P energy: -132.196
bonds (distance) P-C4' energy: -130.301
flat angles C4'-P-C4' energy: -152.451
flat angles P-C4'-P energy: -111.911
tors. eta vs tors. theta energy: -206.874
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: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2339.258595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.258595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.258595 (E_RNA)
where:
Base-Base interactions energy: -1597.465
where: short stacking energy: -698.245
Base-Backbone interact. energy: -4.299
local terms energy: -737.493654
where:
bonds (distance) C4'-P energy: -133.633
bonds (distance) P-C4' energy: -143.241
flat angles C4'-P-C4' energy: -166.671
flat angles P-C4'-P energy: -96.716
tors. eta vs tors. theta energy: -197.232
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: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2197.596303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.596303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.596303 (E_RNA)
where:
Base-Base interactions energy: -1491.435
where: short stacking energy: -625.495
Base-Backbone interact. energy: -6.021
local terms energy: -700.141242
where:
bonds (distance) C4'-P energy: -128.574
bonds (distance) P-C4' energy: -141.146
flat angles C4'-P-C4' energy: -157.851
flat angles P-C4'-P energy: -89.812
tors. eta vs tors. theta energy: -182.759
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: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2146.496112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.496112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.496112 (E_RNA)
where:
Base-Base interactions energy: -1440.505
where: short stacking energy: -646.991
Base-Backbone interact. energy: -3.109
local terms energy: -702.882112
where:
bonds (distance) C4'-P energy: -128.799
bonds (distance) P-C4' energy: -127.245
flat angles C4'-P-C4' energy: -143.135
flat angles P-C4'-P energy: -112.330
tors. eta vs tors. theta energy: -191.373
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: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1914.261513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.261513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.261513 (E_RNA)
where:
Base-Base interactions energy: -1296.451
where: short stacking energy: -572.721
Base-Backbone interact. energy: 3.464
local terms energy: -621.274981
where:
bonds (distance) C4'-P energy: -130.707
bonds (distance) P-C4' energy: -123.266
flat angles C4'-P-C4' energy: -137.191
flat angles P-C4'-P energy: -79.431
tors. eta vs tors. theta energy: -150.680
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: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1738.796711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.796711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.796711 (E_RNA)
where:
Base-Base interactions energy: -1150.817
where: short stacking energy: -485.945
Base-Backbone interact. energy: -0.276
local terms energy: -587.703395
where:
bonds (distance) C4'-P energy: -132.273
bonds (distance) P-C4' energy: -105.078
flat angles C4'-P-C4' energy: -130.477
flat angles P-C4'-P energy: -99.803
tors. eta vs tors. theta energy: -120.073
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: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1152.048533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.048533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.048533 (E_RNA)
where:
Base-Base interactions energy: -669.400
where: short stacking energy: -339.039
Base-Backbone interact. energy: 0.510
local terms energy: -483.158225
where:
bonds (distance) C4'-P energy: -125.085
bonds (distance) P-C4' energy: -140.725
flat angles C4'-P-C4' energy: -92.102
flat angles P-C4'-P energy: -74.789
tors. eta vs tors. theta energy: -50.457
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: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -910.377365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.377365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.377365 (E_RNA)
where:
Base-Base interactions energy: -487.004
where: short stacking energy: -270.123
Base-Backbone interact. energy: 0.562
local terms energy: -423.934801
where:
bonds (distance) C4'-P energy: -125.200
bonds (distance) P-C4' energy: -105.431
flat angles C4'-P-C4' energy: -123.107
flat angles P-C4'-P energy: -70.720
tors. eta vs tors. theta energy: 0.523
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: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -798.934633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.934633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.934633 (E_RNA)
where:
Base-Base interactions energy: -413.143
where: short stacking energy: -239.703
Base-Backbone interact. energy: -1.268
local terms energy: -384.523344
where:
bonds (distance) C4'-P energy: -103.231
bonds (distance) P-C4' energy: -125.762
flat angles C4'-P-C4' energy: -89.013
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: -25.068
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: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2506.924362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.924362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.924362 (E_RNA)
where:
Base-Base interactions energy: -1722.467
where: short stacking energy: -765.829
Base-Backbone interact. energy: -4.048
local terms energy: -780.408935
where:
bonds (distance) C4'-P energy: -138.433
bonds (distance) P-C4' energy: -147.296
flat angles C4'-P-C4' energy: -167.919
flat angles P-C4'-P energy: -111.471
tors. eta vs tors. theta energy: -215.289
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: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2366.715429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.715429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.715429 (E_RNA)
where:
Base-Base interactions energy: -1621.693
where: short stacking energy: -688.505
Base-Backbone interact. energy: -1.639
local terms energy: -743.383239
where:
bonds (distance) C4'-P energy: -133.215
bonds (distance) P-C4' energy: -141.245
flat angles C4'-P-C4' energy: -155.342
flat angles P-C4'-P energy: -114.365
tors. eta vs tors. theta energy: -199.216
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: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2345.845114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.845114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.845114 (E_RNA)
where:
Base-Base interactions energy: -1598.183
where: short stacking energy: -704.124
Base-Backbone interact. energy: -2.586
local terms energy: -745.076068
where:
bonds (distance) C4'-P energy: -129.735
bonds (distance) P-C4' energy: -139.053
flat angles C4'-P-C4' energy: -168.922
flat angles P-C4'-P energy: -108.983
tors. eta vs tors. theta energy: -198.383
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: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2170.762331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.762331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.762331 (E_RNA)
where:
Base-Base interactions energy: -1510.924
where: short stacking energy: -620.399
Base-Backbone interact. energy: 2.456
local terms energy: -662.294702
where:
bonds (distance) C4'-P energy: -121.844
bonds (distance) P-C4' energy: -126.064
flat angles C4'-P-C4' energy: -159.159
flat angles P-C4'-P energy: -93.727
tors. eta vs tors. theta energy: -161.500
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: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2156.253778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.253778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.253778 (E_RNA)
where:
Base-Base interactions energy: -1458.685
where: short stacking energy: -645.376
Base-Backbone interact. energy: -4.600
local terms energy: -692.969070
where:
bonds (distance) C4'-P energy: -109.956
bonds (distance) P-C4' energy: -137.958
flat angles C4'-P-C4' energy: -144.774
flat angles P-C4'-P energy: -108.667
tors. eta vs tors. theta energy: -191.614
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: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1826.337909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.337909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.337909 (E_RNA)
where:
Base-Base interactions energy: -1200.444
where: short stacking energy: -554.131
Base-Backbone interact. energy: -2.573
local terms energy: -623.320345
where:
bonds (distance) C4'-P energy: -133.852
bonds (distance) P-C4' energy: -131.766
flat angles C4'-P-C4' energy: -118.230
flat angles P-C4'-P energy: -86.099
tors. eta vs tors. theta energy: -153.375
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: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1765.284325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.284325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.284325 (E_RNA)
where:
Base-Base interactions energy: -1191.062
where: short stacking energy: -547.758
Base-Backbone interact. energy: 0.959
local terms energy: -575.181873
where:
bonds (distance) C4'-P energy: -124.499
bonds (distance) P-C4' energy: -99.819
flat angles C4'-P-C4' energy: -132.694
flat angles P-C4'-P energy: -78.799
tors. eta vs tors. theta energy: -139.371
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: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1211.436712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.436712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.436712 (E_RNA)
where:
Base-Base interactions energy: -686.514
where: short stacking energy: -340.206
Base-Backbone interact. energy: 0.912
local terms energy: -525.834024
where:
bonds (distance) C4'-P energy: -118.238
bonds (distance) P-C4' energy: -122.072
flat angles C4'-P-C4' energy: -126.627
flat angles P-C4'-P energy: -79.204
tors. eta vs tors. theta energy: -79.694
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: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -942.726568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.726568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.726568 (E_RNA)
where:
Base-Base interactions energy: -483.045
where: short stacking energy: -278.398
Base-Backbone interact. energy: 2.814
local terms energy: -462.495259
where:
bonds (distance) C4'-P energy: -121.548
bonds (distance) P-C4' energy: -118.571
flat angles C4'-P-C4' energy: -111.763
flat angles P-C4'-P energy: -74.330
tors. eta vs tors. theta energy: -36.283
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: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -776.659615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.659615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.659615 (E_RNA)
where:
Base-Base interactions energy: -389.361
where: short stacking energy: -206.851
Base-Backbone interact. energy: -0.137
local terms energy: -387.160955
where:
bonds (distance) C4'-P energy: -112.066
bonds (distance) P-C4' energy: -136.345
flat angles C4'-P-C4' energy: -80.151
flat angles P-C4'-P energy: -72.441
tors. eta vs tors. theta energy: 13.842
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: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2515.781421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.781421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.781421 (E_RNA)
where:
Base-Base interactions energy: -1738.136
where: short stacking energy: -751.107
Base-Backbone interact. energy: -6.518
local terms energy: -771.127488
where:
bonds (distance) C4'-P energy: -145.276
bonds (distance) P-C4' energy: -134.139
flat angles C4'-P-C4' energy: -166.363
flat angles P-C4'-P energy: -110.104
tors. eta vs tors. theta energy: -215.246
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: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2404.424294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.424294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.424294 (E_RNA)
where:
Base-Base interactions energy: -1630.234
where: short stacking energy: -721.718
Base-Backbone interact. energy: -1.760
local terms energy: -772.430457
where:
bonds (distance) C4'-P energy: -149.781
bonds (distance) P-C4' energy: -151.857
flat angles C4'-P-C4' energy: -151.286
flat angles P-C4'-P energy: -107.786
tors. eta vs tors. theta energy: -211.720
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: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2299.919278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.919278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.919278 (E_RNA)
where:
Base-Base interactions energy: -1565.551
where: short stacking energy: -657.422
Base-Backbone interact. energy: -4.893
local terms energy: -729.475522
where:
bonds (distance) C4'-P energy: -138.107
bonds (distance) P-C4' energy: -141.424
flat angles C4'-P-C4' energy: -150.498
flat angles P-C4'-P energy: -106.454
tors. eta vs tors. theta energy: -192.994
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: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2162.905358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.905358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.905358 (E_RNA)
where:
Base-Base interactions energy: -1478.611
where: short stacking energy: -594.377
Base-Backbone interact. energy: -5.245
local terms energy: -679.049670
where:
bonds (distance) C4'-P energy: -139.370
bonds (distance) P-C4' energy: -127.960
flat angles C4'-P-C4' energy: -152.649
flat angles P-C4'-P energy: -90.110
tors. eta vs tors. theta energy: -168.960
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: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2126.929956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.929956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.929956 (E_RNA)
where:
Base-Base interactions energy: -1462.321
where: short stacking energy: -629.641
Base-Backbone interact. energy: 0.765
local terms energy: -665.373604
where:
bonds (distance) C4'-P energy: -107.380
bonds (distance) P-C4' energy: -122.369
flat angles C4'-P-C4' energy: -154.124
flat angles P-C4'-P energy: -103.010
tors. eta vs tors. theta energy: -178.491
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: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1835.537031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.537031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.537031 (E_RNA)
where:
Base-Base interactions energy: -1243.592
where: short stacking energy: -542.001
Base-Backbone interact. energy: -1.567
local terms energy: -590.377270
where:
bonds (distance) C4'-P energy: -119.656
bonds (distance) P-C4' energy: -133.437
flat angles C4'-P-C4' energy: -141.042
flat angles P-C4'-P energy: -62.328
tors. eta vs tors. theta energy: -133.914
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: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1730.545759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.545759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.545759 (E_RNA)
where:
Base-Base interactions energy: -1172.361
where: short stacking energy: -515.644
Base-Backbone interact. energy: 8.488
local terms energy: -566.672729
where:
bonds (distance) C4'-P energy: -109.971
bonds (distance) P-C4' energy: -119.558
flat angles C4'-P-C4' energy: -138.931
flat angles P-C4'-P energy: -75.407
tors. eta vs tors. theta energy: -122.807
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: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1267.145997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.145997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.145997 (E_RNA)
where:
Base-Base interactions energy: -740.683
where: short stacking energy: -391.953
Base-Backbone interact. energy: 0.302
local terms energy: -526.765045
where:
bonds (distance) C4'-P energy: -123.677
bonds (distance) P-C4' energy: -84.010
flat angles C4'-P-C4' energy: -133.305
flat angles P-C4'-P energy: -92.634
tors. eta vs tors. theta energy: -93.139
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: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -931.311097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.311097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.311097 (E_RNA)
where:
Base-Base interactions energy: -521.679
where: short stacking energy: -247.153
Base-Backbone interact. energy: -5.999
local terms energy: -403.632844
where:
bonds (distance) C4'-P energy: -131.122
bonds (distance) P-C4' energy: -101.847
flat angles C4'-P-C4' energy: -98.088
flat angles P-C4'-P energy: -70.514
tors. eta vs tors. theta energy: -2.062
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: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -857.652632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.652632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.652632 (E_RNA)
where:
Base-Base interactions energy: -465.392
where: short stacking energy: -260.934
Base-Backbone interact. energy: 7.598
local terms energy: -399.858223
where:
bonds (distance) C4'-P energy: -98.457
bonds (distance) P-C4' energy: -133.373
flat angles C4'-P-C4' energy: -111.638
flat angles P-C4'-P energy: -51.849
tors. eta vs tors. theta energy: -4.541
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: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2479.812179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.812179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.812179 (E_RNA)
where:
Base-Base interactions energy: -1682.672
where: short stacking energy: -721.855
Base-Backbone interact. energy: -3.879
local terms energy: -793.260972
where:
bonds (distance) C4'-P energy: -149.088
bonds (distance) P-C4' energy: -158.036
flat angles C4'-P-C4' energy: -167.680
flat angles P-C4'-P energy: -116.472
tors. eta vs tors. theta energy: -201.985
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: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2381.601043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.601043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.601043 (E_RNA)
where:
Base-Base interactions energy: -1621.991
where: short stacking energy: -720.421
Base-Backbone interact. energy: 0.849
local terms energy: -760.458898
where:
bonds (distance) C4'-P energy: -132.903
bonds (distance) P-C4' energy: -153.962
flat angles C4'-P-C4' energy: -167.499
flat angles P-C4'-P energy: -97.098
tors. eta vs tors. theta energy: -208.998
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: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2344.294061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.294061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.294061 (E_RNA)
where:
Base-Base interactions energy: -1620.170
where: short stacking energy: -696.880
Base-Backbone interact. energy: -1.125
local terms energy: -722.998816
where:
bonds (distance) C4'-P energy: -136.879
bonds (distance) P-C4' energy: -126.477
flat angles C4'-P-C4' energy: -150.581
flat angles P-C4'-P energy: -107.814
tors. eta vs tors. theta energy: -201.249
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: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2197.195649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.195649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.195649 (E_RNA)
where:
Base-Base interactions energy: -1515.766
where: short stacking energy: -669.267
Base-Backbone interact. energy: 3.519
local terms energy: -684.948201
where:
bonds (distance) C4'-P energy: -110.817
bonds (distance) P-C4' energy: -128.381
flat angles C4'-P-C4' energy: -158.000
flat angles P-C4'-P energy: -98.004
tors. eta vs tors. theta energy: -189.747
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: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2072.155831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.155831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.155831 (E_RNA)
where:
Base-Base interactions energy: -1446.305
where: short stacking energy: -597.017
Base-Backbone interact. energy: 0.185
local terms energy: -626.035696
where:
bonds (distance) C4'-P energy: -123.510
bonds (distance) P-C4' energy: -124.312
flat angles C4'-P-C4' energy: -137.964
flat angles P-C4'-P energy: -86.603
tors. eta vs tors. theta energy: -153.647
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: 121
Temperature: 1.150000
Total energy: -1878.445449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.445449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.445449 (E_RNA)
where:
Base-Base interactions energy: -1238.917
where: short stacking energy: -553.609
Base-Backbone interact. energy: -3.366
local terms energy: -636.162372
where:
bonds (distance) C4'-P energy: -132.751
bonds (distance) P-C4' energy: -125.677
flat angles C4'-P-C4' energy: -149.625
flat angles P-C4'-P energy: -76.597
tors. eta vs tors. theta energy: -151.512
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: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1649.556055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.556055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.556055 (E_RNA)
where:
Base-Base interactions energy: -1078.086
where: short stacking energy: -460.793
Base-Backbone interact. energy: 11.145
local terms energy: -582.615193
where:
bonds (distance) C4'-P energy: -130.135
bonds (distance) P-C4' energy: -129.393
flat angles C4'-P-C4' energy: -134.611
flat angles P-C4'-P energy: -81.045
tors. eta vs tors. theta energy: -107.432
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: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1263.101291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.101291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.101291 (E_RNA)
where:
Base-Base interactions energy: -767.332
where: short stacking energy: -372.958
Base-Backbone interact. energy: -2.333
local terms energy: -493.436078
where:
bonds (distance) C4'-P energy: -117.532
bonds (distance) P-C4' energy: -113.482
flat angles C4'-P-C4' energy: -116.998
flat angles P-C4'-P energy: -85.569
tors. eta vs tors. theta energy: -59.855
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: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1026.475797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.475797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.475797 (E_RNA)
where:
Base-Base interactions energy: -590.882
where: short stacking energy: -277.530
Base-Backbone interact. energy: -1.223
local terms energy: -434.370575
where:
bonds (distance) C4'-P energy: -116.193
bonds (distance) P-C4' energy: -130.875
flat angles C4'-P-C4' energy: -97.497
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -17.086
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: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -843.142610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.142610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.142610 (E_RNA)
where:
Base-Base interactions energy: -446.621
where: short stacking energy: -211.246
Base-Backbone interact. energy: 11.198
local terms energy: -407.719296
where:
bonds (distance) C4'-P energy: -129.567
bonds (distance) P-C4' energy: -114.741
flat angles C4'-P-C4' energy: -85.522
flat angles P-C4'-P energy: -74.323
tors. eta vs tors. theta energy: -3.566
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: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2485.158444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.158444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.158444 (E_RNA)
where:
Base-Base interactions energy: -1681.770
where: short stacking energy: -737.163
Base-Backbone interact. energy: 0.001
local terms energy: -803.389248
where:
bonds (distance) C4'-P energy: -149.943
bonds (distance) P-C4' energy: -155.960
flat angles C4'-P-C4' energy: -171.391
flat angles P-C4'-P energy: -113.015
tors. eta vs tors. theta energy: -213.080
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: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2388.755868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.755868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.755868 (E_RNA)
where:
Base-Base interactions energy: -1606.533
where: short stacking energy: -726.440
Base-Backbone interact. energy: -0.937
local terms energy: -781.285552
where:
bonds (distance) C4'-P energy: -151.349
bonds (distance) P-C4' energy: -149.124
flat angles C4'-P-C4' energy: -160.612
flat angles P-C4'-P energy: -109.786
tors. eta vs tors. theta energy: -210.414
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: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2371.517573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.517573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.517573 (E_RNA)
where:
Base-Base interactions energy: -1627.758
where: short stacking energy: -696.677
Base-Backbone interact. energy: -0.392
local terms energy: -743.366728
where:
bonds (distance) C4'-P energy: -127.623
bonds (distance) P-C4' energy: -138.521
flat angles C4'-P-C4' energy: -157.783
flat angles P-C4'-P energy: -110.559
tors. eta vs tors. theta energy: -208.881
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: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2242.114736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.114736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.114736 (E_RNA)
where:
Base-Base interactions energy: -1525.343
where: short stacking energy: -670.306
Base-Backbone interact. energy: 1.867
local terms energy: -718.638142
where:
bonds (distance) C4'-P energy: -126.720
bonds (distance) P-C4' energy: -140.992
flat angles C4'-P-C4' energy: -153.854
flat angles P-C4'-P energy: -105.286
tors. eta vs tors. theta energy: -191.785
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: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2123.135690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.135690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.135690 (E_RNA)
where:
Base-Base interactions energy: -1464.570
where: short stacking energy: -591.573
Base-Backbone interact. energy: -0.086
local terms energy: -658.479518
where:
bonds (distance) C4'-P energy: -128.824
bonds (distance) P-C4' energy: -119.269
flat angles C4'-P-C4' energy: -148.422
flat angles P-C4'-P energy: -94.391
tors. eta vs tors. theta energy: -167.573
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: 122
Temperature: 1.150000
Total energy: -1948.153368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.153368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.153368 (E_RNA)
where:
Base-Base interactions energy: -1335.669
where: short stacking energy: -589.199
Base-Backbone interact. energy: -1.577
local terms energy: -610.906921
where:
bonds (distance) C4'-P energy: -113.321
bonds (distance) P-C4' energy: -133.834
flat angles C4'-P-C4' energy: -125.136
flat angles P-C4'-P energy: -93.266
tors. eta vs tors. theta energy: -145.350
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: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1731.709493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.709493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.709493 (E_RNA)
where:
Base-Base interactions energy: -1155.159
where: short stacking energy: -492.048
Base-Backbone interact. energy: -3.573
local terms energy: -572.977469
where:
bonds (distance) C4'-P energy: -129.886
bonds (distance) P-C4' energy: -127.035
flat angles C4'-P-C4' energy: -122.426
flat angles P-C4'-P energy: -90.063
tors. eta vs tors. theta energy: -103.568
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: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1310.291007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.291007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.291007 (E_RNA)
where:
Base-Base interactions energy: -784.034
where: short stacking energy: -367.271
Base-Backbone interact. energy: -3.559
local terms energy: -522.697449
where:
bonds (distance) C4'-P energy: -130.248
bonds (distance) P-C4' energy: -138.859
flat angles C4'-P-C4' energy: -119.061
flat angles P-C4'-P energy: -71.513
tors. eta vs tors. theta energy: -63.016
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: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1011.694819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.694819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.694819 (E_RNA)
where:
Base-Base interactions energy: -551.531
where: short stacking energy: -300.180
Base-Backbone interact. energy: -0.135
local terms energy: -460.028299
where:
bonds (distance) C4'-P energy: -119.777
bonds (distance) P-C4' energy: -94.687
flat angles C4'-P-C4' energy: -142.864
flat angles P-C4'-P energy: -68.779
tors. eta vs tors. theta energy: -33.921
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: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -888.813351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.813351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.813351 (E_RNA)
where:
Base-Base interactions energy: -480.217
where: short stacking energy: -264.450
Base-Backbone interact. energy: 8.023
local terms energy: -416.619077
where:
bonds (distance) C4'-P energy: -115.569
bonds (distance) P-C4' energy: -118.540
flat angles C4'-P-C4' energy: -106.780
flat angles P-C4'-P energy: -60.365
tors. eta vs tors. theta energy: -15.366
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: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2480.288555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.288555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.288555 (E_RNA)
where:
Base-Base interactions energy: -1704.228
where: short stacking energy: -731.831
Base-Backbone interact. energy: 0.527
local terms energy: -776.587304
where:
bonds (distance) C4'-P energy: -139.772
bonds (distance) P-C4' energy: -135.206
flat angles C4'-P-C4' energy: -174.199
flat angles P-C4'-P energy: -113.424
tors. eta vs tors. theta energy: -213.986
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: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2357.845603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.845603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.845603 (E_RNA)
where:
Base-Base interactions energy: -1584.929
where: short stacking energy: -708.016
Base-Backbone interact. energy: -2.224
local terms energy: -770.692795
where:
bonds (distance) C4'-P energy: -144.703
bonds (distance) P-C4' energy: -140.748
flat angles C4'-P-C4' energy: -168.194
flat angles P-C4'-P energy: -104.694
tors. eta vs tors. theta energy: -212.353
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: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2377.444905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.444905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.444905 (E_RNA)
where:
Base-Base interactions energy: -1666.742
where: short stacking energy: -724.334
Base-Backbone interact. energy: 0.910
local terms energy: -711.612627
where:
bonds (distance) C4'-P energy: -126.439
bonds (distance) P-C4' energy: -137.690
flat angles C4'-P-C4' energy: -150.422
flat angles P-C4'-P energy: -108.439
tors. eta vs tors. theta energy: -188.623
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2255.798429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.798429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.798429 (E_RNA)
where:
Base-Base interactions energy: -1573.703
where: short stacking energy: -641.400
Base-Backbone interact. energy: -1.110
local terms energy: -680.985027
where:
bonds (distance) C4'-P energy: -121.107
bonds (distance) P-C4' energy: -123.585
flat angles C4'-P-C4' energy: -145.298
flat angles P-C4'-P energy: -109.170
tors. eta vs tors. theta energy: -181.825
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: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2076.824116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.824116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.824116 (E_RNA)
where:
Base-Base interactions energy: -1436.017
where: short stacking energy: -580.621
Base-Backbone interact. energy: -3.823
local terms energy: -636.984150
where:
bonds (distance) C4'-P energy: -120.476
bonds (distance) P-C4' energy: -129.494
flat angles C4'-P-C4' energy: -146.281
flat angles P-C4'-P energy: -87.427
tors. eta vs tors. theta energy: -153.307
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: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1894.381533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.381533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.381533 (E_RNA)
where:
Base-Base interactions energy: -1283.547
where: short stacking energy: -552.763
Base-Backbone interact. energy: 0.054
local terms energy: -610.888203
where:
bonds (distance) C4'-P energy: -113.992
bonds (distance) P-C4' energy: -121.535
flat angles C4'-P-C4' energy: -134.829
flat angles P-C4'-P energy: -89.779
tors. eta vs tors. theta energy: -150.753
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: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1752.498969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.498969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.498969 (E_RNA)
where:
Base-Base interactions energy: -1170.631
where: short stacking energy: -519.515
Base-Backbone interact. energy: 5.340
local terms energy: -587.207940
where:
bonds (distance) C4'-P energy: -121.351
bonds (distance) P-C4' energy: -121.183
flat angles C4'-P-C4' energy: -135.980
flat angles P-C4'-P energy: -89.972
tors. eta vs tors. theta energy: -118.722
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: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1283.058552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.058552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.058552 (E_RNA)
where:
Base-Base interactions energy: -787.206
where: short stacking energy: -361.747
Base-Backbone interact. energy: 0.551
local terms energy: -496.403021
where:
bonds (distance) C4'-P energy: -124.991
bonds (distance) P-C4' energy: -119.706
flat angles C4'-P-C4' energy: -122.616
flat angles P-C4'-P energy: -75.013
tors. eta vs tors. theta energy: -54.077
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: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1008.978756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.978756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.978756 (E_RNA)
where:
Base-Base interactions energy: -540.722
where: short stacking energy: -294.529
Base-Backbone interact. energy: 3.354
local terms energy: -471.610549
where:
bonds (distance) C4'-P energy: -116.056
bonds (distance) P-C4' energy: -133.746
flat angles C4'-P-C4' energy: -117.053
flat angles P-C4'-P energy: -61.722
tors. eta vs tors. theta energy: -43.033
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: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -901.960956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.960956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.960956 (E_RNA)
where:
Base-Base interactions energy: -481.873
where: short stacking energy: -261.486
Base-Backbone interact. energy: 3.729
local terms energy: -423.816853
where:
bonds (distance) C4'-P energy: -108.349
bonds (distance) P-C4' energy: -116.556
flat angles C4'-P-C4' energy: -112.105
flat angles P-C4'-P energy: -55.549
tors. eta vs tors. theta energy: -31.257
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: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2520.544547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.544547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.544547 (E_RNA)
where:
Base-Base interactions energy: -1730.277
where: short stacking energy: -733.326
Base-Backbone interact. energy: -0.293
local terms energy: -789.974661
where:
bonds (distance) C4'-P energy: -156.408
bonds (distance) P-C4' energy: -152.628
flat angles C4'-P-C4' energy: -160.672
flat angles P-C4'-P energy: -119.602
tors. eta vs tors. theta energy: -200.665
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: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2392.043364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.043364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.043364 (E_RNA)
where:
Base-Base interactions energy: -1644.703
where: short stacking energy: -699.183
Base-Backbone interact. energy: -7.077
local terms energy: -740.262884
where:
bonds (distance) C4'-P energy: -127.892
bonds (distance) P-C4' energy: -148.430
flat angles C4'-P-C4' energy: -157.622
flat angles P-C4'-P energy: -107.204
tors. eta vs tors. theta energy: -199.115
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: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2338.487924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.487924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.487924 (E_RNA)
where:
Base-Base interactions energy: -1604.392
where: short stacking energy: -682.517
Base-Backbone interact. energy: -5.987
local terms energy: -728.109100
where:
bonds (distance) C4'-P energy: -140.639
bonds (distance) P-C4' energy: -136.038
flat angles C4'-P-C4' energy: -167.129
flat angles P-C4'-P energy: -89.557
tors. eta vs tors. theta energy: -194.745
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: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2279.939004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.939004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.939004 (E_RNA)
where:
Base-Base interactions energy: -1554.505
where: short stacking energy: -636.696
Base-Backbone interact. energy: -2.041
local terms energy: -723.392337
where:
bonds (distance) C4'-P energy: -153.194
bonds (distance) P-C4' energy: -133.726
flat angles C4'-P-C4' energy: -153.289
flat angles P-C4'-P energy: -100.785
tors. eta vs tors. theta energy: -182.399
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: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2042.376341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.376341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.376341 (E_RNA)
where:
Base-Base interactions energy: -1406.296
where: short stacking energy: -594.965
Base-Backbone interact. energy: -2.041
local terms energy: -634.039582
where:
bonds (distance) C4'-P energy: -129.726
bonds (distance) P-C4' energy: -98.769
flat angles C4'-P-C4' energy: -144.914
flat angles P-C4'-P energy: -106.649
tors. eta vs tors. theta energy: -153.981
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: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1972.333374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.333374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.333374 (E_RNA)
where:
Base-Base interactions energy: -1317.470
where: short stacking energy: -583.038
Base-Backbone interact. energy: -1.092
local terms energy: -653.771399
where:
bonds (distance) C4'-P energy: -123.578
bonds (distance) P-C4' energy: -143.519
flat angles C4'-P-C4' energy: -133.784
flat angles P-C4'-P energy: -96.958
tors. eta vs tors. theta energy: -155.932
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: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1684.802270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.802270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.802270 (E_RNA)
where:
Base-Base interactions energy: -1120.808
where: short stacking energy: -461.733
Base-Backbone interact. energy: 6.955
local terms energy: -570.949646
where:
bonds (distance) C4'-P energy: -134.377
bonds (distance) P-C4' energy: -108.273
flat angles C4'-P-C4' energy: -132.805
flat angles P-C4'-P energy: -90.879
tors. eta vs tors. theta energy: -104.616
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: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1285.819765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.819765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.819765 (E_RNA)
where:
Base-Base interactions energy: -793.811
where: short stacking energy: -390.971
Base-Backbone interact. energy: -2.174
local terms energy: -489.834563
where:
bonds (distance) C4'-P energy: -121.813
bonds (distance) P-C4' energy: -115.217
flat angles C4'-P-C4' energy: -113.328
flat angles P-C4'-P energy: -81.441
tors. eta vs tors. theta energy: -58.036
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: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1026.782724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.782724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.782724 (E_RNA)
where:
Base-Base interactions energy: -609.409
where: short stacking energy: -311.206
Base-Backbone interact. energy: 0.846
local terms energy: -418.220124
where:
bonds (distance) C4'-P energy: -116.981
bonds (distance) P-C4' energy: -108.548
flat angles C4'-P-C4' energy: -117.649
flat angles P-C4'-P energy: -68.727
tors. eta vs tors. theta energy: -6.315
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: 124
Temperature: 1.350000
Total energy: -841.750745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.750745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.750745 (E_RNA)
where:
Base-Base interactions energy: -452.580
where: short stacking energy: -241.953
Base-Backbone interact. energy: 1.117
local terms energy: -390.287730
where:
bonds (distance) C4'-P energy: -122.617
bonds (distance) P-C4' energy: -111.227
flat angles C4'-P-C4' energy: -93.232
flat angles P-C4'-P energy: -52.482
tors. eta vs tors. theta energy: -10.730
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: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2521.753692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.753692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.753692 (E_RNA)
where:
Base-Base interactions energy: -1729.180
where: short stacking energy: -736.875
Base-Backbone interact. energy: -1.912
local terms energy: -790.661736
where:
bonds (distance) C4'-P energy: -145.363
bonds (distance) P-C4' energy: -151.477
flat angles C4'-P-C4' energy: -159.969
flat angles P-C4'-P energy: -127.802
tors. eta vs tors. theta energy: -206.051
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: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2409.392239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.392239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.392239 (E_RNA)
where:
Base-Base interactions energy: -1654.224
where: short stacking energy: -713.522
Base-Backbone interact. energy: -2.456
local terms energy: -752.712044
where:
bonds (distance) C4'-P energy: -131.719
bonds (distance) P-C4' energy: -134.830
flat angles C4'-P-C4' energy: -161.764
flat angles P-C4'-P energy: -114.881
tors. eta vs tors. theta energy: -209.518
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: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2334.130916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.130916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.130916 (E_RNA)
where:
Base-Base interactions energy: -1610.024
where: short stacking energy: -707.705
Base-Backbone interact. energy: -2.683
local terms energy: -721.423852
where:
bonds (distance) C4'-P energy: -138.028
bonds (distance) P-C4' energy: -134.645
flat angles C4'-P-C4' energy: -153.047
flat angles P-C4'-P energy: -96.280
tors. eta vs tors. theta energy: -199.423
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: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2250.678038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.678038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.678038 (E_RNA)
where:
Base-Base interactions energy: -1550.738
where: short stacking energy: -646.145
Base-Backbone interact. energy: -2.763
local terms energy: -697.176963
where:
bonds (distance) C4'-P energy: -130.007
bonds (distance) P-C4' energy: -123.524
flat angles C4'-P-C4' energy: -154.554
flat angles P-C4'-P energy: -88.978
tors. eta vs tors. theta energy: -200.115
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: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2101.575483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.575483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.575483 (E_RNA)
where:
Base-Base interactions energy: -1424.615
where: short stacking energy: -558.661
Base-Backbone interact. energy: -5.191
local terms energy: -671.769917
where:
bonds (distance) C4'-P energy: -128.465
bonds (distance) P-C4' energy: -140.861
flat angles C4'-P-C4' energy: -148.337
flat angles P-C4'-P energy: -105.819
tors. eta vs tors. theta energy: -148.289
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: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1976.566183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.566183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.566183 (E_RNA)
where:
Base-Base interactions energy: -1346.019
where: short stacking energy: -586.992
Base-Backbone interact. energy: -2.562
local terms energy: -627.984857
where:
bonds (distance) C4'-P energy: -107.973
bonds (distance) P-C4' energy: -108.770
flat angles C4'-P-C4' energy: -152.319
flat angles P-C4'-P energy: -102.936
tors. eta vs tors. theta energy: -155.986
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: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1715.483882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.483882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.483882 (E_RNA)
where:
Base-Base interactions energy: -1112.458
where: short stacking energy: -491.861
Base-Backbone interact. energy: -1.689
local terms energy: -601.336843
where:
bonds (distance) C4'-P energy: -139.786
bonds (distance) P-C4' energy: -128.966
flat angles C4'-P-C4' energy: -137.834
flat angles P-C4'-P energy: -85.035
tors. eta vs tors. theta energy: -109.716
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: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1284.288288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.288288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.288288 (E_RNA)
where:
Base-Base interactions energy: -767.888
where: short stacking energy: -376.406
Base-Backbone interact. energy: -6.919
local terms energy: -509.480734
where:
bonds (distance) C4'-P energy: -111.264
bonds (distance) P-C4' energy: -140.098
flat angles C4'-P-C4' energy: -124.998
flat angles P-C4'-P energy: -76.656
tors. eta vs tors. theta energy: -56.464
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: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -999.485861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.485861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.485861 (E_RNA)
where:
Base-Base interactions energy: -617.271
where: short stacking energy: -299.903
Base-Backbone interact. energy: 3.931
local terms energy: -386.146243
where:
bonds (distance) C4'-P energy: -107.115
bonds (distance) P-C4' energy: -128.762
flat angles C4'-P-C4' energy: -106.431
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: -5.945
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: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -837.091393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.091393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.091393 (E_RNA)
where:
Base-Base interactions energy: -399.325
where: short stacking energy: -239.690
Base-Backbone interact. energy: 2.165
local terms energy: -439.930859
where:
bonds (distance) C4'-P energy: -119.488
bonds (distance) P-C4' energy: -135.933
flat angles C4'-P-C4' energy: -99.259
flat angles P-C4'-P energy: -68.216
tors. eta vs tors. theta energy: -17.035
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: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2502.055865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.055865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.055865 (E_RNA)
where:
Base-Base interactions energy: -1716.830
where: short stacking energy: -727.877
Base-Backbone interact. energy: -4.421
local terms energy: -780.804941
where:
bonds (distance) C4'-P energy: -148.692
bonds (distance) P-C4' energy: -143.324
flat angles C4'-P-C4' energy: -167.652
flat angles P-C4'-P energy: -125.742
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: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2382.301295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.301295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.301295 (E_RNA)
where:
Base-Base interactions energy: -1594.513
where: short stacking energy: -697.227
Base-Backbone interact. energy: -1.567
local terms energy: -786.222150
where:
bonds (distance) C4'-P energy: -147.736
bonds (distance) P-C4' energy: -155.403
flat angles C4'-P-C4' energy: -169.461
flat angles P-C4'-P energy: -108.812
tors. eta vs tors. theta energy: -204.810
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: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2360.104059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.104059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.104059 (E_RNA)
where:
Base-Base interactions energy: -1610.342
where: short stacking energy: -688.046
Base-Backbone interact. energy: -2.476
local terms energy: -747.285884
where:
bonds (distance) C4'-P energy: -145.609
bonds (distance) P-C4' energy: -140.724
flat angles C4'-P-C4' energy: -164.728
flat angles P-C4'-P energy: -102.014
tors. eta vs tors. theta energy: -194.212
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: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2294.770978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.770978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.770978 (E_RNA)
where:
Base-Base interactions energy: -1574.087
where: short stacking energy: -660.037
Base-Backbone interact. energy: -2.182
local terms energy: -718.501840
where:
bonds (distance) C4'-P energy: -133.078
bonds (distance) P-C4' energy: -134.266
flat angles C4'-P-C4' energy: -147.836
flat angles P-C4'-P energy: -103.342
tors. eta vs tors. theta energy: -199.979
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: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2111.832483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.832483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.832483 (E_RNA)
where:
Base-Base interactions energy: -1435.475
where: short stacking energy: -595.689
Base-Backbone interact. energy: -5.789
local terms energy: -670.568923
where:
bonds (distance) C4'-P energy: -132.986
bonds (distance) P-C4' energy: -134.281
flat angles C4'-P-C4' energy: -151.923
flat angles P-C4'-P energy: -90.585
tors. eta vs tors. theta energy: -160.793
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: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1946.050217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.050217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.050217 (E_RNA)
where:
Base-Base interactions energy: -1344.458
where: short stacking energy: -598.942
Base-Backbone interact. energy: -1.512
local terms energy: -600.080512
where:
bonds (distance) C4'-P energy: -102.095
bonds (distance) P-C4' energy: -130.144
flat angles C4'-P-C4' energy: -134.968
flat angles P-C4'-P energy: -86.123
tors. eta vs tors. theta energy: -146.750
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: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1781.457165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.457165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.457165 (E_RNA)
where:
Base-Base interactions energy: -1200.537
where: short stacking energy: -526.944
Base-Backbone interact. energy: -3.033
local terms energy: -577.887345
where:
bonds (distance) C4'-P energy: -128.035
bonds (distance) P-C4' energy: -107.829
flat angles C4'-P-C4' energy: -139.868
flat angles P-C4'-P energy: -68.766
tors. eta vs tors. theta energy: -133.390
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: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1315.616263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.616263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.616263 (E_RNA)
where:
Base-Base interactions energy: -829.539
where: short stacking energy: -402.675
Base-Backbone interact. energy: -0.715
local terms energy: -485.362245
where:
bonds (distance) C4'-P energy: -119.911
bonds (distance) P-C4' energy: -120.639
flat angles C4'-P-C4' energy: -110.015
flat angles P-C4'-P energy: -66.463
tors. eta vs tors. theta energy: -68.334
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: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1016.069067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.069067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.069067 (E_RNA)
where:
Base-Base interactions energy: -583.312
where: short stacking energy: -284.571
Base-Backbone interact. energy: 2.322
local terms energy: -435.078955
where:
bonds (distance) C4'-P energy: -105.341
bonds (distance) P-C4' energy: -143.827
flat angles C4'-P-C4' energy: -99.209
flat angles P-C4'-P energy: -60.458
tors. eta vs tors. theta energy: -26.244
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: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -770.429117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.429117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.429117 (E_RNA)
where:
Base-Base interactions energy: -396.589
where: short stacking energy: -227.279
Base-Backbone interact. energy: -2.985
local terms energy: -370.854646
where:
bonds (distance) C4'-P energy: -107.176
bonds (distance) P-C4' energy: -139.184
flat angles C4'-P-C4' energy: -92.914
flat angles P-C4'-P energy: -47.741
tors. eta vs tors. theta energy: 16.161
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: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2542.247566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.247566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.247566 (E_RNA)
where:
Base-Base interactions energy: -1766.767
where: short stacking energy: -729.200
Base-Backbone interact. energy: -2.316
local terms energy: -773.165010
where:
bonds (distance) C4'-P energy: -142.979
bonds (distance) P-C4' energy: -153.962
flat angles C4'-P-C4' energy: -170.722
flat angles P-C4'-P energy: -106.530
tors. eta vs tors. theta energy: -198.972
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: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2408.908250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.908250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.908250 (E_RNA)
where:
Base-Base interactions energy: -1642.640
where: short stacking energy: -722.141
Base-Backbone interact. energy: -1.708
local terms energy: -764.560265
where:
bonds (distance) C4'-P energy: -149.483
bonds (distance) P-C4' energy: -139.572
flat angles C4'-P-C4' energy: -162.376
flat angles P-C4'-P energy: -112.995
tors. eta vs tors. theta energy: -200.135
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: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2326.415493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.415493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.415493 (E_RNA)
where:
Base-Base interactions energy: -1595.027
where: short stacking energy: -685.731
Base-Backbone interact. energy: -3.350
local terms energy: -728.039199
where:
bonds (distance) C4'-P energy: -134.978
bonds (distance) P-C4' energy: -139.407
flat angles C4'-P-C4' energy: -153.839
flat angles P-C4'-P energy: -110.080
tors. eta vs tors. theta energy: -189.736
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: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2287.105667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.105667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.105667 (E_RNA)
where:
Base-Base interactions energy: -1582.884
where: short stacking energy: -655.955
Base-Backbone interact. energy: 1.774
local terms energy: -705.995210
where:
bonds (distance) C4'-P energy: -120.817
bonds (distance) P-C4' energy: -139.002
flat angles C4'-P-C4' energy: -152.371
flat angles P-C4'-P energy: -106.953
tors. eta vs tors. theta energy: -186.852
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: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2132.959349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.959349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.959349 (E_RNA)
where:
Base-Base interactions energy: -1469.969
where: short stacking energy: -601.784
Base-Backbone interact. energy: 0.348
local terms energy: -663.338610
where:
bonds (distance) C4'-P energy: -128.418
bonds (distance) P-C4' energy: -112.396
flat angles C4'-P-C4' energy: -158.912
flat angles P-C4'-P energy: -104.565
tors. eta vs tors. theta energy: -159.048
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: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1985.928850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.928850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.928850 (E_RNA)
where:
Base-Base interactions energy: -1347.996
where: short stacking energy: -575.983
Base-Backbone interact. energy: -1.582
local terms energy: -636.351053
where:
bonds (distance) C4'-P energy: -103.360
bonds (distance) P-C4' energy: -121.206
flat angles C4'-P-C4' energy: -130.912
flat angles P-C4'-P energy: -106.939
tors. eta vs tors. theta energy: -173.935
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: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1867.331719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.331719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.331719 (E_RNA)
where:
Base-Base interactions energy: -1282.683
where: short stacking energy: -543.946
Base-Backbone interact. energy: -0.078
local terms energy: -584.570737
where:
bonds (distance) C4'-P energy: -97.454
bonds (distance) P-C4' energy: -117.226
flat angles C4'-P-C4' energy: -134.495
flat angles P-C4'-P energy: -91.312
tors. eta vs tors. theta energy: -144.084
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: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1306.078639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.078639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.078639 (E_RNA)
where:
Base-Base interactions energy: -838.110
where: short stacking energy: -382.290
Base-Backbone interact. energy: 2.173
local terms energy: -470.141714
where:
bonds (distance) C4'-P energy: -116.742
bonds (distance) P-C4' energy: -115.684
flat angles C4'-P-C4' energy: -97.075
flat angles P-C4'-P energy: -80.998
tors. eta vs tors. theta energy: -59.643
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: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1006.362279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.362279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.362279 (E_RNA)
where:
Base-Base interactions energy: -585.848
where: short stacking energy: -305.202
Base-Backbone interact. energy: 3.906
local terms energy: -424.420541
where:
bonds (distance) C4'-P energy: -111.646
bonds (distance) P-C4' energy: -124.664
flat angles C4'-P-C4' energy: -113.866
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -26.076
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: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -813.680760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.680760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.680760 (E_RNA)
where:
Base-Base interactions energy: -396.526
where: short stacking energy: -222.836
Base-Backbone interact. energy: 0.625
local terms energy: -417.780324
where:
bonds (distance) C4'-P energy: -106.359
bonds (distance) P-C4' energy: -123.853
flat angles C4'-P-C4' energy: -115.382
flat angles P-C4'-P energy: -76.213
tors. eta vs tors. theta energy: 4.027
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: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2543.649340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.649340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.649340 (E_RNA)
where:
Base-Base interactions energy: -1783.472
where: short stacking energy: -724.765
Base-Backbone interact. energy: 2.359
local terms energy: -762.535742
where:
bonds (distance) C4'-P energy: -139.311
bonds (distance) P-C4' energy: -148.314
flat angles C4'-P-C4' energy: -169.845
flat angles P-C4'-P energy: -106.694
tors. eta vs tors. theta energy: -198.371
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: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2406.879375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.879375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.879375 (E_RNA)
where:
Base-Base interactions energy: -1636.964
where: short stacking energy: -682.911
Base-Backbone interact. energy: -0.835
local terms energy: -769.080331
where:
bonds (distance) C4'-P energy: -140.970
bonds (distance) P-C4' energy: -143.102
flat angles C4'-P-C4' energy: -168.310
flat angles P-C4'-P energy: -121.367
tors. eta vs tors. theta energy: -195.332
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: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2366.266155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.266155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.266155 (E_RNA)
where:
Base-Base interactions energy: -1631.603
where: short stacking energy: -700.825
Base-Backbone interact. energy: -4.905
local terms energy: -729.758264
where:
bonds (distance) C4'-P energy: -129.279
bonds (distance) P-C4' energy: -133.282
flat angles C4'-P-C4' energy: -163.187
flat angles P-C4'-P energy: -105.793
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: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2281.643082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.643082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.643082 (E_RNA)
where:
Base-Base interactions energy: -1617.615
where: short stacking energy: -646.508
Base-Backbone interact. energy: -2.493
local terms energy: -661.534741
where:
bonds (distance) C4'-P energy: -105.713
bonds (distance) P-C4' energy: -134.874
flat angles C4'-P-C4' energy: -149.989
flat angles P-C4'-P energy: -97.056
tors. eta vs tors. theta energy: -173.903
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: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2078.775055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.775055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.775055 (E_RNA)
where:
Base-Base interactions energy: -1413.634
where: short stacking energy: -588.436
Base-Backbone interact. energy: 1.600
local terms energy: -666.740267
where:
bonds (distance) C4'-P energy: -137.373
bonds (distance) P-C4' energy: -133.669
flat angles C4'-P-C4' energy: -139.193
flat angles P-C4'-P energy: -103.181
tors. eta vs tors. theta energy: -153.324
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: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1951.776360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.776360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.776360 (E_RNA)
where:
Base-Base interactions energy: -1302.203
where: short stacking energy: -569.758
Base-Backbone interact. energy: 0.919
local terms energy: -650.492065
where:
bonds (distance) C4'-P energy: -127.866
bonds (distance) P-C4' energy: -136.140
flat angles C4'-P-C4' energy: -147.150
flat angles P-C4'-P energy: -90.771
tors. eta vs tors. theta energy: -148.566
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: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1798.672447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.672447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.672447 (E_RNA)
where:
Base-Base interactions energy: -1201.160
where: short stacking energy: -542.381
Base-Backbone interact. energy: -2.999
local terms energy: -594.512935
where:
bonds (distance) C4'-P energy: -125.020
bonds (distance) P-C4' energy: -130.328
flat angles C4'-P-C4' energy: -134.336
flat angles P-C4'-P energy: -73.079
tors. eta vs tors. theta energy: -131.750
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: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1263.339558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.339558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.339558 (E_RNA)
where:
Base-Base interactions energy: -789.479
where: short stacking energy: -405.136
Base-Backbone interact. energy: -2.281
local terms energy: -471.579380
where:
bonds (distance) C4'-P energy: -109.253
bonds (distance) P-C4' energy: -110.472
flat angles C4'-P-C4' energy: -129.585
flat angles P-C4'-P energy: -70.214
tors. eta vs tors. theta energy: -52.056
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: 9, replica: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -982.619186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.619186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.619186 (E_RNA)
where:
Base-Base interactions energy: -542.618
where: short stacking energy: -286.149
Base-Backbone interact. energy: 2.152
local terms energy: -442.152892
where:
bonds (distance) C4'-P energy: -110.277
bonds (distance) P-C4' energy: -125.164
flat angles C4'-P-C4' energy: -109.922
flat angles P-C4'-P energy: -69.779
tors. eta vs tors. theta energy: -27.011
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: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -797.934981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.934981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.934981 (E_RNA)
where:
Base-Base interactions energy: -424.591
where: short stacking energy: -240.250
Base-Backbone interact. energy: -1.036
local terms energy: -372.308690
where:
bonds (distance) C4'-P energy: -99.296
bonds (distance) P-C4' energy: -129.311
flat angles C4'-P-C4' energy: -104.324
flat angles P-C4'-P energy: -44.719
tors. eta vs tors. theta energy: 5.342
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: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2560.347457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.347457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.347457 (E_RNA)
where:
Base-Base interactions energy: -1787.054
where: short stacking energy: -721.848
Base-Backbone interact. energy: -4.228
local terms energy: -769.065451
where:
bonds (distance) C4'-P energy: -149.440
bonds (distance) P-C4' energy: -146.777
flat angles C4'-P-C4' energy: -153.249
flat angles P-C4'-P energy: -123.494
tors. eta vs tors. theta energy: -196.104
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: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2387.288222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.288222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.288222 (E_RNA)
where:
Base-Base interactions energy: -1633.356
where: short stacking energy: -711.412
Base-Backbone interact. energy: -1.477
local terms energy: -752.455210
where:
bonds (distance) C4'-P energy: -151.481
bonds (distance) P-C4' energy: -139.335
flat angles C4'-P-C4' energy: -154.560
flat angles P-C4'-P energy: -105.175
tors. eta vs tors. theta energy: -201.905
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: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2363.268251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.268251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.268251 (E_RNA)
where:
Base-Base interactions energy: -1660.907
where: short stacking energy: -700.264
Base-Backbone interact. energy: -0.058
local terms energy: -702.303120
where:
bonds (distance) C4'-P energy: -125.876
bonds (distance) P-C4' energy: -129.426
flat angles C4'-P-C4' energy: -149.726
flat angles P-C4'-P energy: -104.150
tors. eta vs tors. theta energy: -193.124
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: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2329.734702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.734702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.734702 (E_RNA)
where:
Base-Base interactions energy: -1637.593
where: short stacking energy: -670.939
Base-Backbone interact. energy: 1.167
local terms energy: -693.308309
where:
bonds (distance) C4'-P energy: -129.031
bonds (distance) P-C4' energy: -129.797
flat angles C4'-P-C4' energy: -150.267
flat angles P-C4'-P energy: -100.448
tors. eta vs tors. theta energy: -183.766
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: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2070.998700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.998700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.998700 (E_RNA)
where:
Base-Base interactions energy: -1407.393
where: short stacking energy: -581.535
Base-Backbone interact. energy: -2.823
local terms energy: -660.782638
where:
bonds (distance) C4'-P energy: -130.325
bonds (distance) P-C4' energy: -134.436
flat angles C4'-P-C4' energy: -148.096
flat angles P-C4'-P energy: -105.388
tors. eta vs tors. theta energy: -142.537
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1980.981862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.981862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.981862 (E_RNA)
where:
Base-Base interactions energy: -1342.695
where: short stacking energy: -572.405
Base-Backbone interact. energy: -1.984
local terms energy: -636.302744
where:
bonds (distance) C4'-P energy: -133.690
bonds (distance) P-C4' energy: -119.305
flat angles C4'-P-C4' energy: -141.406
flat angles P-C4'-P energy: -80.779
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: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1756.748390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.748390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.748390 (E_RNA)
where:
Base-Base interactions energy: -1191.381
where: short stacking energy: -513.745
Base-Backbone interact. energy: -0.374
local terms energy: -564.993283
where:
bonds (distance) C4'-P energy: -95.713
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -141.489
flat angles P-C4'-P energy: -82.415
tors. eta vs tors. theta energy: -127.494
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: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1280.310215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.310215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.310215 (E_RNA)
where:
Base-Base interactions energy: -787.051
where: short stacking energy: -374.540
Base-Backbone interact. energy: -2.131
local terms energy: -491.128937
where:
bonds (distance) C4'-P energy: -121.918
bonds (distance) P-C4' energy: -128.443
flat angles C4'-P-C4' energy: -113.362
flat angles P-C4'-P energy: -63.229
tors. eta vs tors. theta energy: -64.177
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: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -971.902992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.902992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.902992 (E_RNA)
where:
Base-Base interactions energy: -534.395
where: short stacking energy: -248.647
Base-Backbone interact. energy: 1.858
local terms energy: -439.366130
where:
bonds (distance) C4'-P energy: -125.319
bonds (distance) P-C4' energy: -133.223
flat angles C4'-P-C4' energy: -99.429
flat angles P-C4'-P energy: -71.588
tors. eta vs tors. theta energy: -9.807
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: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -846.597028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.597028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.597028 (E_RNA)
where:
Base-Base interactions energy: -425.791
where: short stacking energy: -242.692
Base-Backbone interact. energy: -2.273
local terms energy: -418.532879
where:
bonds (distance) C4'-P energy: -95.275
bonds (distance) P-C4' energy: -128.987
flat angles C4'-P-C4' energy: -112.383
flat angles P-C4'-P energy: -65.583
tors. eta vs tors. theta energy: -16.304
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: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2497.391056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.391056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.391056 (E_RNA)
where:
Base-Base interactions energy: -1731.220
where: short stacking energy: -669.415
Base-Backbone interact. energy: -2.627
local terms energy: -763.544174
where:
bonds (distance) C4'-P energy: -150.027
bonds (distance) P-C4' energy: -151.455
flat angles C4'-P-C4' energy: -164.527
flat angles P-C4'-P energy: -110.614
tors. eta vs tors. theta energy: -186.921
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: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2377.050221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.050221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.050221 (E_RNA)
where:
Base-Base interactions energy: -1604.016
where: short stacking energy: -705.217
Base-Backbone interact. energy: -2.262
local terms energy: -770.772855
where:
bonds (distance) C4'-P energy: -147.626
bonds (distance) P-C4' energy: -152.127
flat angles C4'-P-C4' energy: -165.183
flat angles P-C4'-P energy: -105.437
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: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2328.093477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.093477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.093477 (E_RNA)
where:
Base-Base interactions energy: -1617.258
where: short stacking energy: -667.110
Base-Backbone interact. energy: 2.731
local terms energy: -713.566084
where:
bonds (distance) C4'-P energy: -141.293
bonds (distance) P-C4' energy: -137.371
flat angles C4'-P-C4' energy: -155.508
flat angles P-C4'-P energy: -89.765
tors. eta vs tors. theta energy: -189.630
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: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2320.763313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.763313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.763313 (E_RNA)
where:
Base-Base interactions energy: -1586.786
where: short stacking energy: -667.709
Base-Backbone interact. energy: -2.306
local terms energy: -731.671860
where:
bonds (distance) C4'-P energy: -143.060
bonds (distance) P-C4' energy: -142.042
flat angles C4'-P-C4' energy: -153.181
flat angles P-C4'-P energy: -106.733
tors. eta vs tors. theta energy: -186.657
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: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2041.603291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.603291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.603291 (E_RNA)
where:
Base-Base interactions energy: -1389.172
where: short stacking energy: -546.345
Base-Backbone interact. energy: 1.339
local terms energy: -653.770053
where:
bonds (distance) C4'-P energy: -125.285
bonds (distance) P-C4' energy: -149.506
flat angles C4'-P-C4' energy: -140.171
flat angles P-C4'-P energy: -91.173
tors. eta vs tors. theta energy: -147.635
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: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1982.241790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.241790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.241790 (E_RNA)
where:
Base-Base interactions energy: -1333.404
where: short stacking energy: -603.173
Base-Backbone interact. energy: -4.890
local terms energy: -643.948379
where:
bonds (distance) C4'-P energy: -130.489
bonds (distance) P-C4' energy: -116.982
flat angles C4'-P-C4' energy: -146.502
flat angles P-C4'-P energy: -88.139
tors. eta vs tors. theta energy: -161.836
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: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1848.918425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.918425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.918425 (E_RNA)
where:
Base-Base interactions energy: -1239.182
where: short stacking energy: -501.852
Base-Backbone interact. energy: -2.399
local terms energy: -607.337160
where:
bonds (distance) C4'-P energy: -124.418
bonds (distance) P-C4' energy: -138.036
flat angles C4'-P-C4' energy: -120.804
flat angles P-C4'-P energy: -90.755
tors. eta vs tors. theta energy: -133.324
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: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1247.858560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.858560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.858560 (E_RNA)
where:
Base-Base interactions energy: -755.892
where: short stacking energy: -369.941
Base-Backbone interact. energy: 2.903
local terms energy: -494.869403
where:
bonds (distance) C4'-P energy: -120.225
bonds (distance) P-C4' energy: -130.283
flat angles C4'-P-C4' energy: -120.012
flat angles P-C4'-P energy: -63.452
tors. eta vs tors. theta energy: -60.897
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: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -972.041816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.041816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.041816 (E_RNA)
where:
Base-Base interactions energy: -557.064
where: short stacking energy: -269.492
Base-Backbone interact. energy: 2.861
local terms energy: -417.838305
where:
bonds (distance) C4'-P energy: -133.241
bonds (distance) P-C4' energy: -100.168
flat angles C4'-P-C4' energy: -93.248
flat angles P-C4'-P energy: -59.428
tors. eta vs tors. theta energy: -31.753
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: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -823.721701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.721701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.721701 (E_RNA)
where:
Base-Base interactions energy: -434.080
where: short stacking energy: -236.767
Base-Backbone interact. energy: -2.509
local terms energy: -387.133078
where:
bonds (distance) C4'-P energy: -115.539
bonds (distance) P-C4' energy: -113.197
flat angles C4'-P-C4' energy: -93.833
flat angles P-C4'-P energy: -54.253
tors. eta vs tors. theta energy: -10.312
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: 131
Temperature: 0.900000
Total energy: -2507.693009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.693009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.693009 (E_RNA)
where:
Base-Base interactions energy: -1734.614
where: short stacking energy: -722.979
Base-Backbone interact. energy: -2.557
local terms energy: -770.521915
where:
bonds (distance) C4'-P energy: -143.716
bonds (distance) P-C4' energy: -157.124
flat angles C4'-P-C4' energy: -166.467
flat angles P-C4'-P energy: -104.195
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: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2408.969716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.969716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.969716 (E_RNA)
where:
Base-Base interactions energy: -1644.088
where: short stacking energy: -715.240
Base-Backbone interact. energy: 3.630
local terms energy: -768.511927
where:
bonds (distance) C4'-P energy: -139.180
bonds (distance) P-C4' energy: -148.047
flat angles C4'-P-C4' energy: -172.101
flat angles P-C4'-P energy: -105.914
tors. eta vs tors. theta energy: -203.270
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: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2368.689179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.689179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.689179 (E_RNA)
where:
Base-Base interactions energy: -1652.998
where: short stacking energy: -720.971
Base-Backbone interact. energy: -0.815
local terms energy: -714.876396
where:
bonds (distance) C4'-P energy: -132.601
bonds (distance) P-C4' energy: -132.402
flat angles C4'-P-C4' energy: -170.320
flat angles P-C4'-P energy: -88.880
tors. eta vs tors. theta energy: -190.674
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: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2322.277837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.277837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.277837 (E_RNA)
where:
Base-Base interactions energy: -1581.359
where: short stacking energy: -684.380
Base-Backbone interact. energy: -4.377
local terms energy: -736.541142
where:
bonds (distance) C4'-P energy: -136.184
bonds (distance) P-C4' energy: -156.541
flat angles C4'-P-C4' energy: -137.489
flat angles P-C4'-P energy: -105.880
tors. eta vs tors. theta energy: -200.447
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: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2030.626485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.626485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.626485 (E_RNA)
where:
Base-Base interactions energy: -1353.881
where: short stacking energy: -575.053
Base-Backbone interact. energy: -1.792
local terms energy: -674.953460
where:
bonds (distance) C4'-P energy: -128.147
bonds (distance) P-C4' energy: -133.628
flat angles C4'-P-C4' energy: -152.833
flat angles P-C4'-P energy: -101.548
tors. eta vs tors. theta energy: -158.797
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: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1995.278479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.278479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.278479 (E_RNA)
where:
Base-Base interactions energy: -1378.207
where: short stacking energy: -590.455
Base-Backbone interact. energy: -2.540
local terms energy: -614.531516
where:
bonds (distance) C4'-P energy: -101.091
bonds (distance) P-C4' energy: -129.498
flat angles C4'-P-C4' energy: -133.372
flat angles P-C4'-P energy: -88.421
tors. eta vs tors. theta energy: -162.149
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: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1844.081228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.081228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.081228 (E_RNA)
where:
Base-Base interactions energy: -1235.362
where: short stacking energy: -501.170
Base-Backbone interact. energy: 2.005
local terms energy: -610.724643
where:
bonds (distance) C4'-P energy: -121.266
bonds (distance) P-C4' energy: -129.413
flat angles C4'-P-C4' energy: -145.687
flat angles P-C4'-P energy: -79.418
tors. eta vs tors. theta energy: -134.940
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: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1272.370800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.370800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.370800 (E_RNA)
where:
Base-Base interactions energy: -753.731
where: short stacking energy: -366.113
Base-Backbone interact. energy: 0.901
local terms energy: -519.540933
where:
bonds (distance) C4'-P energy: -122.110
bonds (distance) P-C4' energy: -124.449
flat angles C4'-P-C4' energy: -120.606
flat angles P-C4'-P energy: -81.902
tors. eta vs tors. theta energy: -70.473
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: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -929.157314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.157314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.157314 (E_RNA)
where:
Base-Base interactions energy: -550.614
where: short stacking energy: -283.091
Base-Backbone interact. energy: 4.936
local terms energy: -383.479419
where:
bonds (distance) C4'-P energy: -122.841
bonds (distance) P-C4' energy: -107.480
flat angles C4'-P-C4' energy: -84.807
flat angles P-C4'-P energy: -56.774
tors. eta vs tors. theta energy: -11.578
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: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -774.336043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.336043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.336043 (E_RNA)
where:
Base-Base interactions energy: -383.714
where: short stacking energy: -204.779
Base-Backbone interact. energy: -0.710
local terms energy: -389.912360
where:
bonds (distance) C4'-P energy: -122.910
bonds (distance) P-C4' energy: -111.504
flat angles C4'-P-C4' energy: -108.385
flat angles P-C4'-P energy: -57.252
tors. eta vs tors. theta energy: 10.139
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: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2531.444236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.444236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.444236 (E_RNA)
where:
Base-Base interactions energy: -1744.364
where: short stacking energy: -722.387
Base-Backbone interact. energy: 0.619
local terms energy: -787.699634
where:
bonds (distance) C4'-P energy: -153.900
bonds (distance) P-C4' energy: -150.251
flat angles C4'-P-C4' energy: -169.144
flat angles P-C4'-P energy: -107.215
tors. eta vs tors. theta energy: -207.189
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: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2393.277668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.277668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.277668 (E_RNA)
where:
Base-Base interactions energy: -1609.509
where: short stacking energy: -700.663
Base-Backbone interact. energy: -1.644
local terms energy: -782.123991
where:
bonds (distance) C4'-P energy: -136.347
bonds (distance) P-C4' energy: -168.339
flat angles C4'-P-C4' energy: -158.036
flat angles P-C4'-P energy: -107.506
tors. eta vs tors. theta energy: -211.896
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: 132
Temperature: 1.000000
Total energy: -2410.600066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.600066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.600066 (E_RNA)
where:
Base-Base interactions energy: -1650.380
where: short stacking energy: -686.873
Base-Backbone interact. energy: -2.614
local terms energy: -757.606105
where:
bonds (distance) C4'-P energy: -140.010
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -165.760
flat angles P-C4'-P energy: -118.570
tors. eta vs tors. theta energy: -203.074
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: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2295.990413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.990413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.990413 (E_RNA)
where:
Base-Base interactions energy: -1586.526
where: short stacking energy: -693.534
Base-Backbone interact. energy: -4.758
local terms energy: -704.706261
where:
bonds (distance) C4'-P energy: -122.958
bonds (distance) P-C4' energy: -144.825
flat angles C4'-P-C4' energy: -149.045
flat angles P-C4'-P energy: -93.299
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: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2019.297158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.297158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.297158 (E_RNA)
where:
Base-Base interactions energy: -1350.089
where: short stacking energy: -557.095
Base-Backbone interact. energy: -5.044
local terms energy: -664.164051
where:
bonds (distance) C4'-P energy: -124.234
bonds (distance) P-C4' energy: -137.681
flat angles C4'-P-C4' energy: -158.579
flat angles P-C4'-P energy: -93.329
tors. eta vs tors. theta energy: -150.341
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: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1980.715045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.715045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.715045 (E_RNA)
where:
Base-Base interactions energy: -1351.640
where: short stacking energy: -627.382
Base-Backbone interact. energy: 5.551
local terms energy: -634.625978
where:
bonds (distance) C4'-P energy: -109.311
bonds (distance) P-C4' energy: -124.619
flat angles C4'-P-C4' energy: -144.965
flat angles P-C4'-P energy: -91.876
tors. eta vs tors. theta energy: -163.856
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: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1801.611288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.611288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.611288 (E_RNA)
where:
Base-Base interactions energy: -1198.816
where: short stacking energy: -501.285
Base-Backbone interact. energy: -3.265
local terms energy: -599.530302
where:
bonds (distance) C4'-P energy: -113.522
bonds (distance) P-C4' energy: -152.563
flat angles C4'-P-C4' energy: -129.825
flat angles P-C4'-P energy: -87.716
tors. eta vs tors. theta energy: -115.904
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: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1262.614195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.614195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.614195 (E_RNA)
where:
Base-Base interactions energy: -791.566
where: short stacking energy: -400.091
Base-Backbone interact. energy: -2.908
local terms energy: -468.139986
where:
bonds (distance) C4'-P energy: -92.534
bonds (distance) P-C4' energy: -115.195
flat angles C4'-P-C4' energy: -127.440
flat angles P-C4'-P energy: -55.170
tors. eta vs tors. theta energy: -77.801
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: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -857.753162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.753162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.753162 (E_RNA)
where:
Base-Base interactions energy: -448.830
where: short stacking energy: -258.942
Base-Backbone interact. energy: 1.870
local terms energy: -410.793301
where:
bonds (distance) C4'-P energy: -103.045
bonds (distance) P-C4' energy: -123.634
flat angles C4'-P-C4' energy: -98.567
flat angles P-C4'-P energy: -65.847
tors. eta vs tors. theta energy: -19.701
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: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -851.508176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.508176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.508176 (E_RNA)
where:
Base-Base interactions energy: -450.859
where: short stacking energy: -241.408
Base-Backbone interact. energy: -3.037
local terms energy: -397.611990
where:
bonds (distance) C4'-P energy: -108.513
bonds (distance) P-C4' energy: -130.903
flat angles C4'-P-C4' energy: -107.766
flat angles P-C4'-P energy: -44.223
tors. eta vs tors. theta energy: -6.206
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: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2541.405303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.405303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.405303 (E_RNA)
where:
Base-Base interactions energy: -1790.685
where: short stacking energy: -725.519
Base-Backbone interact. energy: -1.001
local terms energy: -749.718749
where:
bonds (distance) C4'-P energy: -129.483
bonds (distance) P-C4' energy: -144.309
flat angles C4'-P-C4' energy: -162.601
flat angles P-C4'-P energy: -108.571
tors. eta vs tors. theta energy: -204.754
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: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2408.957243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.957243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.957243 (E_RNA)
where:
Base-Base interactions energy: -1627.943
where: short stacking energy: -697.417
Base-Backbone interact. energy: -2.839
local terms energy: -778.175180
where:
bonds (distance) C4'-P energy: -153.396
bonds (distance) P-C4' energy: -127.591
flat angles C4'-P-C4' energy: -160.777
flat angles P-C4'-P energy: -115.494
tors. eta vs tors. theta energy: -220.917
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: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2369.897414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.897414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.897414 (E_RNA)
where:
Base-Base interactions energy: -1619.147
where: short stacking energy: -668.734
Base-Backbone interact. energy: -6.258
local terms energy: -744.492337
where:
bonds (distance) C4'-P energy: -139.342
bonds (distance) P-C4' energy: -147.448
flat angles C4'-P-C4' energy: -164.488
flat angles P-C4'-P energy: -103.079
tors. eta vs tors. theta energy: -190.136
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: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2276.331541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.331541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.331541 (E_RNA)
where:
Base-Base interactions energy: -1577.073
where: short stacking energy: -683.429
Base-Backbone interact. energy: 2.750
local terms energy: -702.008474
where:
bonds (distance) C4'-P energy: -140.832
bonds (distance) P-C4' energy: -119.935
flat angles C4'-P-C4' energy: -146.935
flat angles P-C4'-P energy: -103.029
tors. eta vs tors. theta energy: -191.278
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: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1978.543015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.543015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.543015 (E_RNA)
where:
Base-Base interactions energy: -1345.459
where: short stacking energy: -567.602
Base-Backbone interact. energy: -4.566
local terms energy: -628.518510
where:
bonds (distance) C4'-P energy: -122.710
bonds (distance) P-C4' energy: -121.983
flat angles C4'-P-C4' energy: -149.190
flat angles P-C4'-P energy: -76.748
tors. eta vs tors. theta energy: -157.887
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: 133
Temperature: 1.150000
Total energy: -1955.806369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.806369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.806369 (E_RNA)
where:
Base-Base interactions energy: -1297.004
where: short stacking energy: -586.583
Base-Backbone interact. energy: 1.070
local terms energy: -659.872253
where:
bonds (distance) C4'-P energy: -123.290
bonds (distance) P-C4' energy: -143.355
flat angles C4'-P-C4' energy: -148.439
flat angles P-C4'-P energy: -92.883
tors. eta vs tors. theta energy: -151.905
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: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1825.032058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.032058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.032058 (E_RNA)
where:
Base-Base interactions energy: -1214.667
where: short stacking energy: -523.366
Base-Backbone interact. energy: -0.394
local terms energy: -609.971164
where:
bonds (distance) C4'-P energy: -122.878
bonds (distance) P-C4' energy: -139.400
flat angles C4'-P-C4' energy: -139.787
flat angles P-C4'-P energy: -70.711
tors. eta vs tors. theta energy: -137.195
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: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1206.466709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.466709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.466709 (E_RNA)
where:
Base-Base interactions energy: -736.547
where: short stacking energy: -355.858
Base-Backbone interact. energy: 1.355
local terms energy: -471.275179
where:
bonds (distance) C4'-P energy: -94.017
bonds (distance) P-C4' energy: -126.175
flat angles C4'-P-C4' energy: -121.635
flat angles P-C4'-P energy: -66.181
tors. eta vs tors. theta energy: -63.267
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: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -874.341453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.341453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.341453 (E_RNA)
where:
Base-Base interactions energy: -460.249
where: short stacking energy: -273.277
Base-Backbone interact. energy: -2.411
local terms energy: -411.681506
where:
bonds (distance) C4'-P energy: -113.816
bonds (distance) P-C4' energy: -108.090
flat angles C4'-P-C4' energy: -91.784
flat angles P-C4'-P energy: -83.972
tors. eta vs tors. theta energy: -14.019
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: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -834.799973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.799973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.799973 (E_RNA)
where:
Base-Base interactions energy: -484.143
where: short stacking energy: -230.936
Base-Backbone interact. energy: -1.421
local terms energy: -349.235230
where:
bonds (distance) C4'-P energy: -81.272
bonds (distance) P-C4' energy: -118.967
flat angles C4'-P-C4' energy: -93.367
flat angles P-C4'-P energy: -74.760
tors. eta vs tors. theta energy: 19.130
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: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2533.511534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.511534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.511534 (E_RNA)
where:
Base-Base interactions energy: -1749.631
where: short stacking energy: -725.630
Base-Backbone interact. energy: -0.449
local terms energy: -783.431621
where:
bonds (distance) C4'-P energy: -140.175
bonds (distance) P-C4' energy: -153.044
flat angles C4'-P-C4' energy: -168.655
flat angles P-C4'-P energy: -123.583
tors. eta vs tors. theta energy: -197.975
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: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2447.992031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.992031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.992031 (E_RNA)
where:
Base-Base interactions energy: -1690.563
where: short stacking energy: -722.274
Base-Backbone interact. energy: -2.993
local terms energy: -754.435966
where:
bonds (distance) C4'-P energy: -144.438
bonds (distance) P-C4' energy: -134.890
flat angles C4'-P-C4' energy: -170.735
flat angles P-C4'-P energy: -96.222
tors. eta vs tors. theta energy: -208.151
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: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2364.112105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.112105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.112105 (E_RNA)
where:
Base-Base interactions energy: -1626.869
where: short stacking energy: -693.511
Base-Backbone interact. energy: -3.943
local terms energy: -733.300739
where:
bonds (distance) C4'-P energy: -136.179
bonds (distance) P-C4' energy: -153.932
flat angles C4'-P-C4' energy: -152.380
flat angles P-C4'-P energy: -94.205
tors. eta vs tors. theta energy: -196.605
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: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2276.748095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.748095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.748095 (E_RNA)
where:
Base-Base interactions energy: -1576.841
where: short stacking energy: -700.594
Base-Backbone interact. energy: 2.519
local terms energy: -702.426045
where:
bonds (distance) C4'-P energy: -121.851
bonds (distance) P-C4' energy: -125.739
flat angles C4'-P-C4' energy: -162.390
flat angles P-C4'-P energy: -84.785
tors. eta vs tors. theta energy: -207.662
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2074.959041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.959041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.959041 (E_RNA)
where:
Base-Base interactions energy: -1398.465
where: short stacking energy: -596.349
Base-Backbone interact. energy: -1.743
local terms energy: -674.750672
where:
bonds (distance) C4'-P energy: -133.882
bonds (distance) P-C4' energy: -120.657
flat angles C4'-P-C4' energy: -148.084
flat angles P-C4'-P energy: -101.440
tors. eta vs tors. theta energy: -170.687
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: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1945.328754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.328754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.328754 (E_RNA)
where:
Base-Base interactions energy: -1298.033
where: short stacking energy: -545.241
Base-Backbone interact. energy: -1.648
local terms energy: -645.646795
where:
bonds (distance) C4'-P energy: -124.005
bonds (distance) P-C4' energy: -136.259
flat angles C4'-P-C4' energy: -146.527
flat angles P-C4'-P energy: -101.916
tors. eta vs tors. theta energy: -136.940
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: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1877.422362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.422362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.422362 (E_RNA)
where:
Base-Base interactions energy: -1281.766
where: short stacking energy: -540.464
Base-Backbone interact. energy: 8.537
local terms energy: -604.193310
where:
bonds (distance) C4'-P energy: -121.195
bonds (distance) P-C4' energy: -116.687
flat angles C4'-P-C4' energy: -137.900
flat angles P-C4'-P energy: -74.006
tors. eta vs tors. theta energy: -154.404
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: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1194.548820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.548820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.548820 (E_RNA)
where:
Base-Base interactions energy: -710.709
where: short stacking energy: -368.056
Base-Backbone interact. energy: -0.918
local terms energy: -482.921907
where:
bonds (distance) C4'-P energy: -110.361
bonds (distance) P-C4' energy: -119.198
flat angles C4'-P-C4' energy: -110.626
flat angles P-C4'-P energy: -70.515
tors. eta vs tors. theta energy: -72.223
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: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -865.324195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.324195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.324195 (E_RNA)
where:
Base-Base interactions energy: -449.699
where: short stacking energy: -256.161
Base-Backbone interact. energy: 0.599
local terms energy: -416.223828
where:
bonds (distance) C4'-P energy: -111.298
bonds (distance) P-C4' energy: -115.670
flat angles C4'-P-C4' energy: -129.016
flat angles P-C4'-P energy: -45.243
tors. eta vs tors. theta energy: -14.996
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: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -742.546619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.546619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.546619 (E_RNA)
where:
Base-Base interactions energy: -356.269
where: short stacking energy: -210.791
Base-Backbone interact. energy: 1.763
local terms energy: -388.040779
where:
bonds (distance) C4'-P energy: -101.272
bonds (distance) P-C4' energy: -127.070
flat angles C4'-P-C4' energy: -98.241
flat angles P-C4'-P energy: -72.111
tors. eta vs tors. theta energy: 10.652
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: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2564.842793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.842793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.842793 (E_RNA)
where:
Base-Base interactions energy: -1781.252
where: short stacking energy: -730.249
Base-Backbone interact. energy: -2.707
local terms energy: -780.883698
where:
bonds (distance) C4'-P energy: -136.454
bonds (distance) P-C4' energy: -149.632
flat angles C4'-P-C4' energy: -174.545
flat angles P-C4'-P energy: -120.811
tors. eta vs tors. theta energy: -199.442
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: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2460.005284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.005284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.005284 (E_RNA)
where:
Base-Base interactions energy: -1692.890
where: short stacking energy: -746.335
Base-Backbone interact. energy: -2.383
local terms energy: -764.732283
where:
bonds (distance) C4'-P energy: -138.841
bonds (distance) P-C4' energy: -147.366
flat angles C4'-P-C4' energy: -167.713
flat angles P-C4'-P energy: -104.376
tors. eta vs tors. theta energy: -206.436
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: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2387.613906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.613906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.613906 (E_RNA)
where:
Base-Base interactions energy: -1644.277
where: short stacking energy: -683.417
Base-Backbone interact. energy: -1.093
local terms energy: -742.243984
where:
bonds (distance) C4'-P energy: -123.087
bonds (distance) P-C4' energy: -144.074
flat angles C4'-P-C4' energy: -169.574
flat angles P-C4'-P energy: -114.645
tors. eta vs tors. theta energy: -190.864
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: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2257.004969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.004969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.004969 (E_RNA)
where:
Base-Base interactions energy: -1529.723
where: short stacking energy: -669.610
Base-Backbone interact. energy: -1.092
local terms energy: -726.189371
where:
bonds (distance) C4'-P energy: -134.944
bonds (distance) P-C4' energy: -142.414
flat angles C4'-P-C4' energy: -160.877
flat angles P-C4'-P energy: -102.021
tors. eta vs tors. theta energy: -185.933
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: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2025.293377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.293377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.293377 (E_RNA)
where:
Base-Base interactions energy: -1336.136
where: short stacking energy: -598.959
Base-Backbone interact. energy: 0.359
local terms energy: -689.516124
where:
bonds (distance) C4'-P energy: -129.949
bonds (distance) P-C4' energy: -152.589
flat angles C4'-P-C4' energy: -154.310
flat angles P-C4'-P energy: -94.789
tors. eta vs tors. theta energy: -157.879
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: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1992.410443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.410443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.410443 (E_RNA)
where:
Base-Base interactions energy: -1338.276
where: short stacking energy: -586.289
Base-Backbone interact. energy: -3.549
local terms energy: -650.585139
where:
bonds (distance) C4'-P energy: -135.535
bonds (distance) P-C4' energy: -119.523
flat angles C4'-P-C4' energy: -146.720
flat angles P-C4'-P energy: -80.057
tors. eta vs tors. theta energy: -168.751
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: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1769.347055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.347055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.347055 (E_RNA)
where:
Base-Base interactions energy: -1180.349
where: short stacking energy: -498.011
Base-Backbone interact. energy: -0.982
local terms energy: -588.015404
where:
bonds (distance) C4'-P energy: -119.015
bonds (distance) P-C4' energy: -135.364
flat angles C4'-P-C4' energy: -126.775
flat angles P-C4'-P energy: -79.505
tors. eta vs tors. theta energy: -127.356
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: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1305.110298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.110298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.110298 (E_RNA)
where:
Base-Base interactions energy: -751.768
where: short stacking energy: -355.259
Base-Backbone interact. energy: -1.244
local terms energy: -552.098910
where:
bonds (distance) C4'-P energy: -133.025
bonds (distance) P-C4' energy: -143.288
flat angles C4'-P-C4' energy: -110.437
flat angles P-C4'-P energy: -93.380
tors. eta vs tors. theta energy: -71.968
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: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -870.524076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.524076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.524076 (E_RNA)
where:
Base-Base interactions energy: -476.421
where: short stacking energy: -264.422
Base-Backbone interact. energy: 4.968
local terms energy: -399.071216
where:
bonds (distance) C4'-P energy: -115.655
bonds (distance) P-C4' energy: -117.951
flat angles C4'-P-C4' energy: -100.411
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: -13.954
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: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -848.591606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.591606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.591606 (E_RNA)
where:
Base-Base interactions energy: -459.355
where: short stacking energy: -245.601
Base-Backbone interact. energy: 1.215
local terms energy: -390.452182
where:
bonds (distance) C4'-P energy: -111.485
bonds (distance) P-C4' energy: -123.264
flat angles C4'-P-C4' energy: -94.864
flat angles P-C4'-P energy: -53.676
tors. eta vs tors. theta energy: -7.164
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: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2516.998596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.998596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.998596 (E_RNA)
where:
Base-Base interactions energy: -1739.146
where: short stacking energy: -740.457
Base-Backbone interact. energy: -4.321
local terms energy: -773.531571
where:
bonds (distance) C4'-P energy: -138.506
bonds (distance) P-C4' energy: -148.970
flat angles C4'-P-C4' energy: -170.700
flat angles P-C4'-P energy: -117.888
tors. eta vs tors. theta energy: -197.467
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: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2471.853416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.853416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.853416 (E_RNA)
where:
Base-Base interactions energy: -1700.681
where: short stacking energy: -726.306
Base-Backbone interact. energy: -0.331
local terms energy: -770.841411
where:
bonds (distance) C4'-P energy: -145.246
bonds (distance) P-C4' energy: -151.084
flat angles C4'-P-C4' energy: -161.773
flat angles P-C4'-P energy: -109.110
tors. eta vs tors. theta energy: -203.628
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: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2418.572000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.572000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.572000 (E_RNA)
where:
Base-Base interactions energy: -1682.584
where: short stacking energy: -700.679
Base-Backbone interact. energy: -3.908
local terms energy: -732.079878
where:
bonds (distance) C4'-P energy: -131.982
bonds (distance) P-C4' energy: -148.453
flat angles C4'-P-C4' energy: -157.824
flat angles P-C4'-P energy: -91.987
tors. eta vs tors. theta energy: -201.834
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: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2179.028269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.028269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.028269 (E_RNA)
where:
Base-Base interactions energy: -1465.341
where: short stacking energy: -649.169
Base-Backbone interact. energy: -3.377
local terms energy: -710.310748
where:
bonds (distance) C4'-P energy: -129.932
bonds (distance) P-C4' energy: -147.525
flat angles C4'-P-C4' energy: -150.947
flat angles P-C4'-P energy: -110.097
tors. eta vs tors. theta energy: -171.809
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: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2109.725355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.725355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.725355 (E_RNA)
where:
Base-Base interactions energy: -1422.551
where: short stacking energy: -635.999
Base-Backbone interact. energy: -0.792
local terms energy: -686.382222
where:
bonds (distance) C4'-P energy: -138.506
bonds (distance) P-C4' energy: -114.393
flat angles C4'-P-C4' energy: -162.030
flat angles P-C4'-P energy: -81.165
tors. eta vs tors. theta energy: -190.289
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: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1998.375262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.375262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.375262 (E_RNA)
where:
Base-Base interactions energy: -1339.806
where: short stacking energy: -559.803
Base-Backbone interact. energy: -1.546
local terms energy: -657.023931
where:
bonds (distance) C4'-P energy: -133.866
bonds (distance) P-C4' energy: -124.163
flat angles C4'-P-C4' energy: -145.898
flat angles P-C4'-P energy: -109.389
tors. eta vs tors. theta energy: -143.708
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: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1806.410335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.410335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.410335 (E_RNA)
where:
Base-Base interactions energy: -1186.609
where: short stacking energy: -527.616
Base-Backbone interact. energy: -2.276
local terms energy: -617.524868
where:
bonds (distance) C4'-P energy: -119.484
bonds (distance) P-C4' energy: -123.007
flat angles C4'-P-C4' energy: -130.331
flat angles P-C4'-P energy: -97.195
tors. eta vs tors. theta energy: -147.508
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: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1232.157179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.157179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.157179 (E_RNA)
where:
Base-Base interactions energy: -721.111
where: short stacking energy: -368.079
Base-Backbone interact. energy: 1.044
local terms energy: -512.090126
where:
bonds (distance) C4'-P energy: -128.651
bonds (distance) P-C4' energy: -116.909
flat angles C4'-P-C4' energy: -122.962
flat angles P-C4'-P energy: -85.478
tors. eta vs tors. theta energy: -58.090
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: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -950.538787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.538787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.538787 (E_RNA)
where:
Base-Base interactions energy: -510.817
where: short stacking energy: -261.034
Base-Backbone interact. energy: -1.756
local terms energy: -437.965849
where:
bonds (distance) C4'-P energy: -93.661
bonds (distance) P-C4' energy: -116.803
flat angles C4'-P-C4' energy: -127.150
flat angles P-C4'-P energy: -91.961
tors. eta vs tors. theta energy: -8.391
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: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -812.674558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.674558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.674558 (E_RNA)
where:
Base-Base interactions energy: -416.028
where: short stacking energy: -195.935
Base-Backbone interact. energy: 4.189
local terms energy: -400.835375
where:
bonds (distance) C4'-P energy: -115.992
bonds (distance) P-C4' energy: -123.783
flat angles C4'-P-C4' energy: -102.632
flat angles P-C4'-P energy: -64.612
tors. eta vs tors. theta energy: 6.183
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: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2508.980517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.980517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.980517 (E_RNA)
where:
Base-Base interactions energy: -1739.008
where: short stacking energy: -741.304
Base-Backbone interact. energy: -7.316
local terms energy: -762.656839
where:
bonds (distance) C4'-P energy: -136.381
bonds (distance) P-C4' energy: -132.217
flat angles C4'-P-C4' energy: -174.252
flat angles P-C4'-P energy: -118.960
tors. eta vs tors. theta energy: -200.846
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: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2455.051406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.051406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.051406 (E_RNA)
where:
Base-Base interactions energy: -1698.925
where: short stacking energy: -720.244
Base-Backbone interact. energy: -3.562
local terms energy: -752.564247
where:
bonds (distance) C4'-P energy: -146.699
bonds (distance) P-C4' energy: -143.869
flat angles C4'-P-C4' energy: -146.459
flat angles P-C4'-P energy: -110.600
tors. eta vs tors. theta energy: -204.937
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: 137
Temperature: 1.000000
Total energy: -2401.060644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.060644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.060644 (E_RNA)
where:
Base-Base interactions energy: -1652.783
where: short stacking energy: -705.163
Base-Backbone interact. energy: -0.726
local terms energy: -747.551598
where:
bonds (distance) C4'-P energy: -124.069
bonds (distance) P-C4' energy: -151.185
flat angles C4'-P-C4' energy: -158.180
flat angles P-C4'-P energy: -107.778
tors. eta vs tors. theta energy: -206.339
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: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2189.894040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.894040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.894040 (E_RNA)
where:
Base-Base interactions energy: -1482.026
where: short stacking energy: -674.273
Base-Backbone interact. energy: -1.641
local terms energy: -706.226898
where:
bonds (distance) C4'-P energy: -122.989
bonds (distance) P-C4' energy: -134.429
flat angles C4'-P-C4' energy: -161.351
flat angles P-C4'-P energy: -101.056
tors. eta vs tors. theta energy: -186.402
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: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2124.271031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.271031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.271031 (E_RNA)
where:
Base-Base interactions energy: -1419.907
where: short stacking energy: -610.464
Base-Backbone interact. energy: -3.857
local terms energy: -700.506296
where:
bonds (distance) C4'-P energy: -113.959
bonds (distance) P-C4' energy: -130.646
flat angles C4'-P-C4' energy: -156.927
flat angles P-C4'-P energy: -115.026
tors. eta vs tors. theta energy: -183.948
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: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2025.919005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.919005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.919005 (E_RNA)
where:
Base-Base interactions energy: -1395.388
where: short stacking energy: -614.367
Base-Backbone interact. energy: 2.357
local terms energy: -632.888384
where:
bonds (distance) C4'-P energy: -123.112
bonds (distance) P-C4' energy: -116.702
flat angles C4'-P-C4' energy: -143.283
flat angles P-C4'-P energy: -85.192
tors. eta vs tors. theta energy: -164.598
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: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1816.863055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.863055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.863055 (E_RNA)
where:
Base-Base interactions energy: -1218.626
where: short stacking energy: -527.409
Base-Backbone interact. energy: -4.143
local terms energy: -594.094162
where:
bonds (distance) C4'-P energy: -121.267
bonds (distance) P-C4' energy: -111.814
flat angles C4'-P-C4' energy: -137.373
flat angles P-C4'-P energy: -89.613
tors. eta vs tors. theta energy: -134.027
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: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1276.302309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.302309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.302309 (E_RNA)
where:
Base-Base interactions energy: -760.086
where: short stacking energy: -375.871
Base-Backbone interact. energy: -3.129
local terms energy: -513.087300
where:
bonds (distance) C4'-P energy: -121.423
bonds (distance) P-C4' energy: -115.153
flat angles C4'-P-C4' energy: -125.708
flat angles P-C4'-P energy: -80.531
tors. eta vs tors. theta energy: -70.272
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: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -987.388713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.388713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.388713 (E_RNA)
where:
Base-Base interactions energy: -566.364
where: short stacking energy: -289.287
Base-Backbone interact. energy: 9.191
local terms energy: -430.215660
where:
bonds (distance) C4'-P energy: -106.612
bonds (distance) P-C4' energy: -134.220
flat angles C4'-P-C4' energy: -90.128
flat angles P-C4'-P energy: -80.989
tors. eta vs tors. theta energy: -18.267
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: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -795.392619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.392619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.392619 (E_RNA)
where:
Base-Base interactions energy: -408.849
where: short stacking energy: -221.729
Base-Backbone interact. energy: -0.562
local terms energy: -385.981131
where:
bonds (distance) C4'-P energy: -120.649
bonds (distance) P-C4' energy: -106.290
flat angles C4'-P-C4' energy: -114.921
flat angles P-C4'-P energy: -57.047
tors. eta vs tors. theta energy: 12.926
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: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2552.252577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.252577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.252577 (E_RNA)
where:
Base-Base interactions energy: -1786.562
where: short stacking energy: -747.561
Base-Backbone interact. energy: -4.244
local terms energy: -761.446407
where:
bonds (distance) C4'-P energy: -123.085
bonds (distance) P-C4' energy: -152.531
flat angles C4'-P-C4' energy: -173.277
flat angles P-C4'-P energy: -115.372
tors. eta vs tors. theta energy: -197.181
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: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2472.146264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.146264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.146264 (E_RNA)
where:
Base-Base interactions energy: -1707.936
where: short stacking energy: -719.943
Base-Backbone interact. energy: -5.407
local terms energy: -758.803177
where:
bonds (distance) C4'-P energy: -125.114
bonds (distance) P-C4' energy: -137.067
flat angles C4'-P-C4' energy: -173.455
flat angles P-C4'-P energy: -118.904
tors. eta vs tors. theta energy: -204.263
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: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2353.908984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.908984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.908984 (E_RNA)
where:
Base-Base interactions energy: -1623.777
where: short stacking energy: -665.949
Base-Backbone interact. energy: -4.416
local terms energy: -725.716408
where:
bonds (distance) C4'-P energy: -128.465
bonds (distance) P-C4' energy: -145.320
flat angles C4'-P-C4' energy: -163.616
flat angles P-C4'-P energy: -96.903
tors. eta vs tors. theta energy: -191.413
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: 138
Temperature: 1.050000
Total energy: -2205.426106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.426106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.426106 (E_RNA)
where:
Base-Base interactions energy: -1493.228
where: short stacking energy: -680.324
Base-Backbone interact. energy: -2.818
local terms energy: -709.380182
where:
bonds (distance) C4'-P energy: -135.890
bonds (distance) P-C4' energy: -144.531
flat angles C4'-P-C4' energy: -139.831
flat angles P-C4'-P energy: -87.930
tors. eta vs tors. theta energy: -201.198
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: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2131.458350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.458350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.458350 (E_RNA)
where:
Base-Base interactions energy: -1472.915
where: short stacking energy: -646.580
Base-Backbone interact. energy: -3.910
local terms energy: -654.633763
where:
bonds (distance) C4'-P energy: -130.162
bonds (distance) P-C4' energy: -136.084
flat angles C4'-P-C4' energy: -132.492
flat angles P-C4'-P energy: -86.164
tors. eta vs tors. theta energy: -169.731
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: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1990.767390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.767390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.767390 (E_RNA)
where:
Base-Base interactions energy: -1366.764
where: short stacking energy: -557.784
Base-Backbone interact. energy: -4.354
local terms energy: -619.649390
where:
bonds (distance) C4'-P energy: -126.510
bonds (distance) P-C4' energy: -129.158
flat angles C4'-P-C4' energy: -136.610
flat angles P-C4'-P energy: -79.690
tors. eta vs tors. theta energy: -147.682
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: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1771.058064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.058064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.058064 (E_RNA)
where:
Base-Base interactions energy: -1214.504
where: short stacking energy: -528.220
Base-Backbone interact. energy: 0.262
local terms energy: -556.816747
where:
bonds (distance) C4'-P energy: -124.618
bonds (distance) P-C4' energy: -117.493
flat angles C4'-P-C4' energy: -132.937
flat angles P-C4'-P energy: -54.219
tors. eta vs tors. theta energy: -127.549
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: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1215.068824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.068824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.068824 (E_RNA)
where:
Base-Base interactions energy: -746.238
where: short stacking energy: -364.335
Base-Backbone interact. energy: 3.079
local terms energy: -471.910254
where:
bonds (distance) C4'-P energy: -114.428
bonds (distance) P-C4' energy: -101.074
flat angles C4'-P-C4' energy: -121.544
flat angles P-C4'-P energy: -75.673
tors. eta vs tors. theta energy: -59.191
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: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1014.414246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.414246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.414246 (E_RNA)
where:
Base-Base interactions energy: -546.646
where: short stacking energy: -291.383
Base-Backbone interact. energy: 0.501
local terms energy: -468.268921
where:
bonds (distance) C4'-P energy: -135.003
bonds (distance) P-C4' energy: -126.862
flat angles C4'-P-C4' energy: -107.155
flat angles P-C4'-P energy: -59.829
tors. eta vs tors. theta energy: -39.420
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: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -806.104356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.104356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.104356 (E_RNA)
where:
Base-Base interactions energy: -398.309
where: short stacking energy: -240.170
Base-Backbone interact. energy: -2.566
local terms energy: -405.230062
where:
bonds (distance) C4'-P energy: -122.400
bonds (distance) P-C4' energy: -117.376
flat angles C4'-P-C4' energy: -96.361
flat angles P-C4'-P energy: -66.854
tors. eta vs tors. theta energy: -2.240
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: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2521.224340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.224340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.224340 (E_RNA)
where:
Base-Base interactions energy: -1717.894
where: short stacking energy: -742.950
Base-Backbone interact. energy: 0.272
local terms energy: -803.603092
where:
bonds (distance) C4'-P energy: -164.103
bonds (distance) P-C4' energy: -147.727
flat angles C4'-P-C4' energy: -178.551
flat angles P-C4'-P energy: -110.161
tors. eta vs tors. theta energy: -203.061
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: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2493.202854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.202854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.202854 (E_RNA)
where:
Base-Base interactions energy: -1729.106
where: short stacking energy: -720.523
Base-Backbone interact. energy: -4.770
local terms energy: -759.326738
where:
bonds (distance) C4'-P energy: -139.315
bonds (distance) P-C4' energy: -140.539
flat angles C4'-P-C4' energy: -166.715
flat angles P-C4'-P energy: -98.307
tors. eta vs tors. theta energy: -214.450
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: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2394.284071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.284071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.284071 (E_RNA)
where:
Base-Base interactions energy: -1596.653
where: short stacking energy: -682.464
Base-Backbone interact. energy: -1.220
local terms energy: -796.410653
where:
bonds (distance) C4'-P energy: -157.516
bonds (distance) P-C4' energy: -149.820
flat angles C4'-P-C4' energy: -169.317
flat angles P-C4'-P energy: -106.441
tors. eta vs tors. theta energy: -213.316
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: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2148.547573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.547573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.547573 (E_RNA)
where:
Base-Base interactions energy: -1447.073
where: short stacking energy: -635.370
Base-Backbone interact. energy: 0.635
local terms energy: -702.109107
where:
bonds (distance) C4'-P energy: -141.803
bonds (distance) P-C4' energy: -142.788
flat angles C4'-P-C4' energy: -149.984
flat angles P-C4'-P energy: -98.340
tors. eta vs tors. theta energy: -169.194
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: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2180.306895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.306895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.306895 (E_RNA)
where:
Base-Base interactions energy: -1501.678
where: short stacking energy: -666.758
Base-Backbone interact. energy: -1.261
local terms energy: -677.367831
where:
bonds (distance) C4'-P energy: -133.832
bonds (distance) P-C4' energy: -117.718
flat angles C4'-P-C4' energy: -134.263
flat angles P-C4'-P energy: -105.078
tors. eta vs tors. theta energy: -186.477
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: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1996.753683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.753683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.753683 (E_RNA)
where:
Base-Base interactions energy: -1384.213
where: short stacking energy: -589.278
Base-Backbone interact. energy: -4.035
local terms energy: -608.505021
where:
bonds (distance) C4'-P energy: -116.528
bonds (distance) P-C4' energy: -120.086
flat angles C4'-P-C4' energy: -126.891
flat angles P-C4'-P energy: -88.146
tors. eta vs tors. theta energy: -156.854
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: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1861.064436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.064436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.064436 (E_RNA)
where:
Base-Base interactions energy: -1231.038
where: short stacking energy: -544.317
Base-Backbone interact. energy: -5.280
local terms energy: -624.746410
where:
bonds (distance) C4'-P energy: -122.734
bonds (distance) P-C4' energy: -138.968
flat angles C4'-P-C4' energy: -134.887
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -140.781
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: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1232.649083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.649083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.649083 (E_RNA)
where:
Base-Base interactions energy: -746.453
where: short stacking energy: -386.045
Base-Backbone interact. energy: -3.195
local terms energy: -483.001349
where:
bonds (distance) C4'-P energy: -113.296
bonds (distance) P-C4' energy: -108.243
flat angles C4'-P-C4' energy: -127.103
flat angles P-C4'-P energy: -65.209
tors. eta vs tors. theta energy: -69.150
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: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -917.356716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.356716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.356716 (E_RNA)
where:
Base-Base interactions energy: -503.080
where: short stacking energy: -254.816
Base-Backbone interact. energy: 4.137
local terms energy: -418.413531
where:
bonds (distance) C4'-P energy: -109.003
bonds (distance) P-C4' energy: -130.237
flat angles C4'-P-C4' energy: -106.244
flat angles P-C4'-P energy: -56.250
tors. eta vs tors. theta energy: -16.679
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: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -803.480205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.480205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.480205 (E_RNA)
where:
Base-Base interactions energy: -410.156
where: short stacking energy: -228.680
Base-Backbone interact. energy: -1.573
local terms energy: -391.750908
where:
bonds (distance) C4'-P energy: -98.806
bonds (distance) P-C4' energy: -124.678
flat angles C4'-P-C4' energy: -87.998
flat angles P-C4'-P energy: -64.947
tors. eta vs tors. theta energy: -15.323
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: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2560.515391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.515391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.515391 (E_RNA)
where:
Base-Base interactions energy: -1785.178
where: short stacking energy: -752.615
Base-Backbone interact. energy: -3.508
local terms energy: -771.830043
where:
bonds (distance) C4'-P energy: -138.383
bonds (distance) P-C4' energy: -147.001
flat angles C4'-P-C4' energy: -166.972
flat angles P-C4'-P energy: -110.106
tors. eta vs tors. theta energy: -209.367
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: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2487.872674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.872674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.872674 (E_RNA)
where:
Base-Base interactions energy: -1716.400
where: short stacking energy: -721.268
Base-Backbone interact. energy: -4.413
local terms energy: -767.059191
where:
bonds (distance) C4'-P energy: -138.301
bonds (distance) P-C4' energy: -136.453
flat angles C4'-P-C4' energy: -168.104
flat angles P-C4'-P energy: -122.313
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: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2382.026489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.026489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.026489 (E_RNA)
where:
Base-Base interactions energy: -1655.663
where: short stacking energy: -698.059
Base-Backbone interact. energy: 0.049
local terms energy: -726.412815
where:
bonds (distance) C4'-P energy: -124.393
bonds (distance) P-C4' energy: -147.007
flat angles C4'-P-C4' energy: -149.162
flat angles P-C4'-P energy: -96.625
tors. eta vs tors. theta energy: -209.226
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: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2175.058774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.058774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.058774 (E_RNA)
where:
Base-Base interactions energy: -1480.793
where: short stacking energy: -675.143
Base-Backbone interact. energy: -0.718
local terms energy: -693.548414
where:
bonds (distance) C4'-P energy: -139.837
bonds (distance) P-C4' energy: -129.982
flat angles C4'-P-C4' energy: -151.094
flat angles P-C4'-P energy: -84.694
tors. eta vs tors. theta energy: -187.941
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: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2102.781503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.781503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.781503 (E_RNA)
where:
Base-Base interactions energy: -1424.994
where: short stacking energy: -615.106
Base-Backbone interact. energy: -1.890
local terms energy: -675.898083
where:
bonds (distance) C4'-P energy: -113.949
bonds (distance) P-C4' energy: -144.362
flat angles C4'-P-C4' energy: -155.023
flat angles P-C4'-P energy: -95.819
tors. eta vs tors. theta energy: -166.744
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: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2012.336635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.336635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.336635 (E_RNA)
where:
Base-Base interactions energy: -1324.344
where: short stacking energy: -583.788
Base-Backbone interact. energy: -0.838
local terms energy: -687.155022
where:
bonds (distance) C4'-P energy: -128.361
bonds (distance) P-C4' energy: -139.897
flat angles C4'-P-C4' energy: -143.372
flat angles P-C4'-P energy: -112.201
tors. eta vs tors. theta energy: -163.324
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: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1896.509813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.509813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.509813 (E_RNA)
where:
Base-Base interactions energy: -1283.892
where: short stacking energy: -555.029
Base-Backbone interact. energy: -2.229
local terms energy: -610.388602
where:
bonds (distance) C4'-P energy: -118.784
bonds (distance) P-C4' energy: -132.341
flat angles C4'-P-C4' energy: -140.819
flat angles P-C4'-P energy: -71.579
tors. eta vs tors. theta energy: -146.866
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: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1218.776686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.776686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.776686 (E_RNA)
where:
Base-Base interactions energy: -715.781
where: short stacking energy: -340.355
Base-Backbone interact. energy: 4.543
local terms energy: -507.538411
where:
bonds (distance) C4'-P energy: -102.494
bonds (distance) P-C4' energy: -137.337
flat angles C4'-P-C4' energy: -124.031
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -60.506
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: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -871.520800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.520800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.520800 (E_RNA)
where:
Base-Base interactions energy: -460.063
where: short stacking energy: -246.968
Base-Backbone interact. energy: 0.201
local terms energy: -411.658729
where:
bonds (distance) C4'-P energy: -121.460
bonds (distance) P-C4' energy: -129.195
flat angles C4'-P-C4' energy: -106.086
flat angles P-C4'-P energy: -61.897
tors. eta vs tors. theta energy: 6.979
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: 140
Temperature: 1.350000
Total energy: -889.675020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.675020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.675020 (E_RNA)
where:
Base-Base interactions energy: -454.657
where: short stacking energy: -227.872
Base-Backbone interact. energy: 0.285
local terms energy: -435.302794
where:
bonds (distance) C4'-P energy: -119.688
bonds (distance) P-C4' energy: -119.458
flat angles C4'-P-C4' energy: -96.568
flat angles P-C4'-P energy: -66.215
tors. eta vs tors. theta energy: -33.374
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: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2551.362412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.362412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.362412 (E_RNA)
where:
Base-Base interactions energy: -1780.513
where: short stacking energy: -762.261
Base-Backbone interact. energy: -4.147
local terms energy: -766.702362
where:
bonds (distance) C4'-P energy: -148.407
bonds (distance) P-C4' energy: -143.471
flat angles C4'-P-C4' energy: -157.207
flat angles P-C4'-P energy: -100.333
tors. eta vs tors. theta energy: -217.285
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: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2451.536499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.536499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.536499 (E_RNA)
where:
Base-Base interactions energy: -1675.871
where: short stacking energy: -703.844
Base-Backbone interact. energy: -1.625
local terms energy: -774.040903
where:
bonds (distance) C4'-P energy: -156.639
bonds (distance) P-C4' energy: -140.430
flat angles C4'-P-C4' energy: -159.972
flat angles P-C4'-P energy: -96.860
tors. eta vs tors. theta energy: -220.140
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: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2367.696471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.696471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.696471 (E_RNA)
where:
Base-Base interactions energy: -1621.724
where: short stacking energy: -695.807
Base-Backbone interact. energy: -2.508
local terms energy: -743.463927
where:
bonds (distance) C4'-P energy: -138.423
bonds (distance) P-C4' energy: -136.269
flat angles C4'-P-C4' energy: -159.062
flat angles P-C4'-P energy: -112.370
tors. eta vs tors. theta energy: -197.340
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: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2161.395312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.395312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.395312 (E_RNA)
where:
Base-Base interactions energy: -1509.798
where: short stacking energy: -676.730
Base-Backbone interact. energy: -1.810
local terms energy: -649.786933
where:
bonds (distance) C4'-P energy: -100.749
bonds (distance) P-C4' energy: -126.787
flat angles C4'-P-C4' energy: -147.337
flat angles P-C4'-P energy: -95.633
tors. eta vs tors. theta energy: -179.280
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: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2111.176027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.176027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.176027 (E_RNA)
where:
Base-Base interactions energy: -1440.147
where: short stacking energy: -605.009
Base-Backbone interact. energy: 1.100
local terms energy: -672.128412
where:
bonds (distance) C4'-P energy: -133.127
bonds (distance) P-C4' energy: -128.339
flat angles C4'-P-C4' energy: -157.446
flat angles P-C4'-P energy: -95.524
tors. eta vs tors. theta energy: -157.692
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: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1991.927838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.927838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.927838 (E_RNA)
where:
Base-Base interactions energy: -1342.363
where: short stacking energy: -629.852
Base-Backbone interact. energy: -3.637
local terms energy: -645.927730
where:
bonds (distance) C4'-P energy: -105.436
bonds (distance) P-C4' energy: -118.164
flat angles C4'-P-C4' energy: -141.549
flat angles P-C4'-P energy: -102.955
tors. eta vs tors. theta energy: -177.825
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: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1799.120343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.120343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.120343 (E_RNA)
where:
Base-Base interactions energy: -1193.739
where: short stacking energy: -516.763
Base-Backbone interact. energy: 1.010
local terms energy: -606.390584
where:
bonds (distance) C4'-P energy: -124.824
bonds (distance) P-C4' energy: -123.389
flat angles C4'-P-C4' energy: -138.313
flat angles P-C4'-P energy: -88.259
tors. eta vs tors. theta energy: -131.605
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: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1288.387779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.387779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.387779 (E_RNA)
where:
Base-Base interactions energy: -794.450
where: short stacking energy: -387.671
Base-Backbone interact. energy: -3.910
local terms energy: -490.027896
where:
bonds (distance) C4'-P energy: -117.729
bonds (distance) P-C4' energy: -139.501
flat angles C4'-P-C4' energy: -112.891
flat angles P-C4'-P energy: -58.383
tors. eta vs tors. theta energy: -61.523
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: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -948.375597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.375597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.375597 (E_RNA)
where:
Base-Base interactions energy: -545.605
where: short stacking energy: -283.553
Base-Backbone interact. energy: 3.054
local terms energy: -405.823914
where:
bonds (distance) C4'-P energy: -113.492
bonds (distance) P-C4' energy: -112.186
flat angles C4'-P-C4' energy: -114.722
flat angles P-C4'-P energy: -40.100
tors. eta vs tors. theta energy: -25.323
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: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -825.432290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.432290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.432290 (E_RNA)
where:
Base-Base interactions energy: -448.550
where: short stacking energy: -232.734
Base-Backbone interact. energy: 5.234
local terms energy: -382.115525
where:
bonds (distance) C4'-P energy: -102.586
bonds (distance) P-C4' energy: -135.696
flat angles C4'-P-C4' energy: -97.898
flat angles P-C4'-P energy: -55.710
tors. eta vs tors. theta energy: 9.774
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: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2549.435273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.435273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.435273 (E_RNA)
where:
Base-Base interactions energy: -1754.191
where: short stacking energy: -746.144
Base-Backbone interact. energy: -4.801
local terms energy: -790.443886
where:
bonds (distance) C4'-P energy: -147.481
bonds (distance) P-C4' energy: -143.353
flat angles C4'-P-C4' energy: -175.507
flat angles P-C4'-P energy: -118.510
tors. eta vs tors. theta energy: -205.593
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: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2475.379725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.379725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.379725 (E_RNA)
where:
Base-Base interactions energy: -1676.763
where: short stacking energy: -724.720
Base-Backbone interact. energy: -2.629
local terms energy: -795.987949
where:
bonds (distance) C4'-P energy: -153.708
bonds (distance) P-C4' energy: -141.212
flat angles C4'-P-C4' energy: -166.494
flat angles P-C4'-P energy: -113.621
tors. eta vs tors. theta energy: -220.954
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: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2370.874536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.874536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.874536 (E_RNA)
where:
Base-Base interactions energy: -1644.853
where: short stacking energy: -691.460
Base-Backbone interact. energy: -2.873
local terms energy: -723.147897
where:
bonds (distance) C4'-P energy: -130.312
bonds (distance) P-C4' energy: -136.814
flat angles C4'-P-C4' energy: -146.922
flat angles P-C4'-P energy: -108.018
tors. eta vs tors. theta energy: -201.082
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: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2148.704067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.704067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.704067 (E_RNA)
where:
Base-Base interactions energy: -1465.359
where: short stacking energy: -662.897
Base-Backbone interact. energy: -2.840
local terms energy: -680.505705
where:
bonds (distance) C4'-P energy: -127.788
bonds (distance) P-C4' energy: -125.240
flat angles C4'-P-C4' energy: -158.800
flat angles P-C4'-P energy: -80.172
tors. eta vs tors. theta energy: -188.505
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: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2076.499793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.499793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.499793 (E_RNA)
where:
Base-Base interactions energy: -1399.584
where: short stacking energy: -605.774
Base-Backbone interact. energy: -3.888
local terms energy: -673.027751
where:
bonds (distance) C4'-P energy: -129.366
bonds (distance) P-C4' energy: -138.001
flat angles C4'-P-C4' energy: -155.666
flat angles P-C4'-P energy: -83.523
tors. eta vs tors. theta energy: -166.471
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: 142
Temperature: 1.150000
Total energy: -1989.447101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.447101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.447101 (E_RNA)
where:
Base-Base interactions energy: -1331.586
where: short stacking energy: -587.235
Base-Backbone interact. energy: -1.043
local terms energy: -656.817961
where:
bonds (distance) C4'-P energy: -119.486
bonds (distance) P-C4' energy: -131.953
flat angles C4'-P-C4' energy: -141.159
flat angles P-C4'-P energy: -103.774
tors. eta vs tors. theta energy: -160.446
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1854.715734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.715734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.715734 (E_RNA)
where:
Base-Base interactions energy: -1215.716
where: short stacking energy: -537.750
Base-Backbone interact. energy: 0.819
local terms energy: -639.818758
where:
bonds (distance) C4'-P energy: -130.418
bonds (distance) P-C4' energy: -131.895
flat angles C4'-P-C4' energy: -136.149
flat angles P-C4'-P energy: -98.061
tors. eta vs tors. theta energy: -143.295
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: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1299.964915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.964915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.964915 (E_RNA)
where:
Base-Base interactions energy: -815.106
where: short stacking energy: -407.796
Base-Backbone interact. energy: -0.102
local terms energy: -484.756791
where:
bonds (distance) C4'-P energy: -102.995
bonds (distance) P-C4' energy: -119.270
flat angles C4'-P-C4' energy: -104.905
flat angles P-C4'-P energy: -83.159
tors. eta vs tors. theta energy: -74.428
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: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -902.758645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.758645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.758645 (E_RNA)
where:
Base-Base interactions energy: -466.940
where: short stacking energy: -258.912
Base-Backbone interact. energy: -3.046
local terms energy: -432.773298
where:
bonds (distance) C4'-P energy: -106.986
bonds (distance) P-C4' energy: -122.681
flat angles C4'-P-C4' energy: -129.660
flat angles P-C4'-P energy: -63.459
tors. eta vs tors. theta energy: -9.987
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: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -809.659787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.659787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.659787 (E_RNA)
where:
Base-Base interactions energy: -418.660
where: short stacking energy: -209.582
Base-Backbone interact. energy: 1.548
local terms energy: -392.548085
where:
bonds (distance) C4'-P energy: -107.849
bonds (distance) P-C4' energy: -121.606
flat angles C4'-P-C4' energy: -107.941
flat angles P-C4'-P energy: -64.047
tors. eta vs tors. theta energy: 8.895
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: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2563.215236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.215236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.215236 (E_RNA)
where:
Base-Base interactions energy: -1788.126
where: short stacking energy: -730.047
Base-Backbone interact. energy: -3.707
local terms energy: -771.382140
where:
bonds (distance) C4'-P energy: -146.588
bonds (distance) P-C4' energy: -132.647
flat angles C4'-P-C4' energy: -171.832
flat angles P-C4'-P energy: -115.730
tors. eta vs tors. theta energy: -204.586
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: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2442.817502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.817502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.817502 (E_RNA)
where:
Base-Base interactions energy: -1673.865
where: short stacking energy: -718.387
Base-Backbone interact. energy: -2.308
local terms energy: -766.643724
where:
bonds (distance) C4'-P energy: -139.957
bonds (distance) P-C4' energy: -149.926
flat angles C4'-P-C4' energy: -156.492
flat angles P-C4'-P energy: -105.266
tors. eta vs tors. theta energy: -215.003
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: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2374.391349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.391349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.391349 (E_RNA)
where:
Base-Base interactions energy: -1639.168
where: short stacking energy: -692.319
Base-Backbone interact. energy: -1.244
local terms energy: -733.978930
where:
bonds (distance) C4'-P energy: -131.568
bonds (distance) P-C4' energy: -138.662
flat angles C4'-P-C4' energy: -156.382
flat angles P-C4'-P energy: -103.688
tors. eta vs tors. theta energy: -203.679
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: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2192.675081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.675081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.675081 (E_RNA)
where:
Base-Base interactions energy: -1512.198
where: short stacking energy: -660.805
Base-Backbone interact. energy: -6.484
local terms energy: -673.992894
where:
bonds (distance) C4'-P energy: -122.594
bonds (distance) P-C4' energy: -128.673
flat angles C4'-P-C4' energy: -149.843
flat angles P-C4'-P energy: -89.032
tors. eta vs tors. theta energy: -183.851
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: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2082.959282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.959282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.959282 (E_RNA)
where:
Base-Base interactions energy: -1416.582
where: short stacking energy: -600.951
Base-Backbone interact. energy: -4.238
local terms energy: -662.138557
where:
bonds (distance) C4'-P energy: -135.855
bonds (distance) P-C4' energy: -124.719
flat angles C4'-P-C4' energy: -149.889
flat angles P-C4'-P energy: -92.196
tors. eta vs tors. theta energy: -159.479
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: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1964.838812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.838812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.838812 (E_RNA)
where:
Base-Base interactions energy: -1311.741
where: short stacking energy: -563.272
Base-Backbone interact. energy: -2.262
local terms energy: -650.835012
where:
bonds (distance) C4'-P energy: -128.934
bonds (distance) P-C4' energy: -117.385
flat angles C4'-P-C4' energy: -154.192
flat angles P-C4'-P energy: -86.858
tors. eta vs tors. theta energy: -163.467
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: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1804.141428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.141428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.141428 (E_RNA)
where:
Base-Base interactions energy: -1191.734
where: short stacking energy: -537.918
Base-Backbone interact. energy: -2.634
local terms energy: -609.773188
where:
bonds (distance) C4'-P energy: -117.594
bonds (distance) P-C4' energy: -135.510
flat angles C4'-P-C4' energy: -124.103
flat angles P-C4'-P energy: -87.917
tors. eta vs tors. theta energy: -144.649
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: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1287.736204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.736204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.736204 (E_RNA)
where:
Base-Base interactions energy: -772.146
where: short stacking energy: -370.161
Base-Backbone interact. energy: 3.795
local terms energy: -519.385555
where:
bonds (distance) C4'-P energy: -131.025
bonds (distance) P-C4' energy: -125.848
flat angles C4'-P-C4' energy: -128.421
flat angles P-C4'-P energy: -68.737
tors. eta vs tors. theta energy: -65.356
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: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -930.403620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.403620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.403620 (E_RNA)
where:
Base-Base interactions energy: -520.415
where: short stacking energy: -248.949
Base-Backbone interact. energy: 1.928
local terms energy: -411.916067
where:
bonds (distance) C4'-P energy: -112.422
bonds (distance) P-C4' energy: -122.188
flat angles C4'-P-C4' energy: -99.770
flat angles P-C4'-P energy: -68.662
tors. eta vs tors. theta energy: -8.874
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: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -810.115208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.115208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.115208 (E_RNA)
where:
Base-Base interactions energy: -435.749
where: short stacking energy: -239.285
Base-Backbone interact. energy: 6.011
local terms energy: -380.376774
where:
bonds (distance) C4'-P energy: -96.876
bonds (distance) P-C4' energy: -120.440
flat angles C4'-P-C4' energy: -77.691
flat angles P-C4'-P energy: -64.409
tors. eta vs tors. theta energy: -20.961
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: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2594.872186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.872186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.872186 (E_RNA)
where:
Base-Base interactions energy: -1827.233
where: short stacking energy: -764.243
Base-Backbone interact. energy: 1.790
local terms energy: -769.428913
where:
bonds (distance) C4'-P energy: -135.715
bonds (distance) P-C4' energy: -143.295
flat angles C4'-P-C4' energy: -166.191
flat angles P-C4'-P energy: -120.695
tors. eta vs tors. theta energy: -203.533
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: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2475.544461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.544461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.544461 (E_RNA)
where:
Base-Base interactions energy: -1724.360
where: short stacking energy: -691.152
Base-Backbone interact. energy: -3.542
local terms energy: -747.642340
where:
bonds (distance) C4'-P energy: -154.678
bonds (distance) P-C4' energy: -132.527
flat angles C4'-P-C4' energy: -158.129
flat angles P-C4'-P energy: -101.774
tors. eta vs tors. theta energy: -200.534
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: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2363.287132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.287132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.287132 (E_RNA)
where:
Base-Base interactions energy: -1631.443
where: short stacking energy: -704.792
Base-Backbone interact. energy: 0.450
local terms energy: -732.294519
where:
bonds (distance) C4'-P energy: -121.737
bonds (distance) P-C4' energy: -134.013
flat angles C4'-P-C4' energy: -154.511
flat angles P-C4'-P energy: -119.546
tors. eta vs tors. theta energy: -202.488
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: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2168.245788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.245788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.245788 (E_RNA)
where:
Base-Base interactions energy: -1479.103
where: short stacking energy: -641.590
Base-Backbone interact. energy: 0.191
local terms energy: -689.334638
where:
bonds (distance) C4'-P energy: -124.196
bonds (distance) P-C4' energy: -133.577
flat angles C4'-P-C4' energy: -157.720
flat angles P-C4'-P energy: -92.697
tors. eta vs tors. theta energy: -181.145
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: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2110.659933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.659933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.659933 (E_RNA)
where:
Base-Base interactions energy: -1451.117
where: short stacking energy: -614.264
Base-Backbone interact. energy: 0.542
local terms energy: -660.085303
where:
bonds (distance) C4'-P energy: -121.534
bonds (distance) P-C4' energy: -128.410
flat angles C4'-P-C4' energy: -152.671
flat angles P-C4'-P energy: -100.705
tors. eta vs tors. theta energy: -156.766
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: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2025.644274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.644274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.644274 (E_RNA)
where:
Base-Base interactions energy: -1377.438
where: short stacking energy: -625.558
Base-Backbone interact. energy: -1.921
local terms energy: -646.285298
where:
bonds (distance) C4'-P energy: -115.952
bonds (distance) P-C4' energy: -112.700
flat angles C4'-P-C4' energy: -147.229
flat angles P-C4'-P energy: -94.055
tors. eta vs tors. theta energy: -176.350
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: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1822.620584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.620584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.620584 (E_RNA)
where:
Base-Base interactions energy: -1232.426
where: short stacking energy: -541.559
Base-Backbone interact. energy: -3.331
local terms energy: -586.863028
where:
bonds (distance) C4'-P energy: -115.047
bonds (distance) P-C4' energy: -122.267
flat angles C4'-P-C4' energy: -138.396
flat angles P-C4'-P energy: -88.404
tors. eta vs tors. theta energy: -122.749
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: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1291.276434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.276434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.276434 (E_RNA)
where:
Base-Base interactions energy: -764.273
where: short stacking energy: -343.828
Base-Backbone interact. energy: -0.424
local terms energy: -526.580057
where:
bonds (distance) C4'-P energy: -127.900
bonds (distance) P-C4' energy: -141.520
flat angles C4'-P-C4' energy: -132.356
flat angles P-C4'-P energy: -72.877
tors. eta vs tors. theta energy: -51.927
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: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -940.416519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.416519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.416519 (E_RNA)
where:
Base-Base interactions energy: -524.073
where: short stacking energy: -280.320
Base-Backbone interact. energy: 1.197
local terms energy: -417.540794
where:
bonds (distance) C4'-P energy: -124.514
bonds (distance) P-C4' energy: -115.959
flat angles C4'-P-C4' energy: -102.684
flat angles P-C4'-P energy: -50.266
tors. eta vs tors. theta energy: -24.118
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: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -890.733956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.733956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.733956 (E_RNA)
where:
Base-Base interactions energy: -523.657
where: short stacking energy: -251.714
Base-Backbone interact. energy: 1.651
local terms energy: -368.728147
where:
bonds (distance) C4'-P energy: -118.222
bonds (distance) P-C4' energy: -130.471
flat angles C4'-P-C4' energy: -92.382
flat angles P-C4'-P energy: -37.652
tors. eta vs tors. theta energy: 9.999
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2568.280332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.280332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.280332 (E_RNA)
where:
Base-Base interactions energy: -1765.928
where: short stacking energy: -750.826
Base-Backbone interact. energy: -1.537
local terms energy: -800.815665
where:
bonds (distance) C4'-P energy: -156.369
bonds (distance) P-C4' energy: -151.240
flat angles C4'-P-C4' energy: -174.144
flat angles P-C4'-P energy: -113.033
tors. eta vs tors. theta energy: -206.029
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: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2477.751155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.751155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.751155 (E_RNA)
where:
Base-Base interactions energy: -1737.064
where: short stacking energy: -732.327
Base-Backbone interact. energy: -6.980
local terms energy: -733.707646
where:
bonds (distance) C4'-P energy: -133.268
bonds (distance) P-C4' energy: -131.090
flat angles C4'-P-C4' energy: -149.750
flat angles P-C4'-P energy: -108.011
tors. eta vs tors. theta energy: -211.589
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: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2360.021901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.021901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.021901 (E_RNA)
where:
Base-Base interactions energy: -1612.896
where: short stacking energy: -696.263
Base-Backbone interact. energy: -4.926
local terms energy: -742.199367
where:
bonds (distance) C4'-P energy: -142.061
bonds (distance) P-C4' energy: -142.698
flat angles C4'-P-C4' energy: -153.713
flat angles P-C4'-P energy: -108.007
tors. eta vs tors. theta energy: -195.720
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: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2151.206070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.206070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.206070 (E_RNA)
where:
Base-Base interactions energy: -1423.526
where: short stacking energy: -643.180
Base-Backbone interact. energy: -1.715
local terms energy: -725.965120
where:
bonds (distance) C4'-P energy: -134.248
bonds (distance) P-C4' energy: -138.131
flat angles C4'-P-C4' energy: -165.631
flat angles P-C4'-P energy: -105.439
tors. eta vs tors. theta energy: -182.516
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: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2071.254215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.254215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.254215 (E_RNA)
where:
Base-Base interactions energy: -1400.193
where: short stacking energy: -572.431
Base-Backbone interact. energy: -2.109
local terms energy: -668.952211
where:
bonds (distance) C4'-P energy: -134.079
bonds (distance) P-C4' energy: -126.693
flat angles C4'-P-C4' energy: -155.034
flat angles P-C4'-P energy: -91.510
tors. eta vs tors. theta energy: -161.636
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: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1967.414143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.414143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.414143 (E_RNA)
where:
Base-Base interactions energy: -1305.346
where: short stacking energy: -556.246
Base-Backbone interact. energy: -3.777
local terms energy: -658.291401
where:
bonds (distance) C4'-P energy: -126.447
bonds (distance) P-C4' energy: -140.270
flat angles C4'-P-C4' energy: -142.848
flat angles P-C4'-P energy: -91.034
tors. eta vs tors. theta energy: -157.693
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: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1853.337090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.337090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.337090 (E_RNA)
where:
Base-Base interactions energy: -1218.086
where: short stacking energy: -546.099
Base-Backbone interact. energy: -2.379
local terms energy: -632.872476
where:
bonds (distance) C4'-P energy: -109.634
bonds (distance) P-C4' energy: -122.746
flat angles C4'-P-C4' energy: -146.383
flat angles P-C4'-P energy: -100.830
tors. eta vs tors. theta energy: -153.279
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: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1296.946865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.946865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.946865 (E_RNA)
where:
Base-Base interactions energy: -815.936
where: short stacking energy: -395.748
Base-Backbone interact. energy: -4.316
local terms energy: -476.694479
where:
bonds (distance) C4'-P energy: -108.805
bonds (distance) P-C4' energy: -117.043
flat angles C4'-P-C4' energy: -121.993
flat angles P-C4'-P energy: -56.802
tors. eta vs tors. theta energy: -72.051
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: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -942.061138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.061138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.061138 (E_RNA)
where:
Base-Base interactions energy: -523.205
where: short stacking energy: -266.347
Base-Backbone interact. energy: 9.773
local terms energy: -428.629649
where:
bonds (distance) C4'-P energy: -112.148
bonds (distance) P-C4' energy: -136.288
flat angles C4'-P-C4' energy: -111.087
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -14.294
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: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -896.610939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.610939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.610939 (E_RNA)
where:
Base-Base interactions energy: -479.924
where: short stacking energy: -247.627
Base-Backbone interact. energy: -0.119
local terms energy: -416.567361
where:
bonds (distance) C4'-P energy: -96.948
bonds (distance) P-C4' energy: -134.410
flat angles C4'-P-C4' energy: -100.817
flat angles P-C4'-P energy: -64.888
tors. eta vs tors. theta energy: -19.505
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: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2536.754517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.754517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.754517 (E_RNA)
where:
Base-Base interactions energy: -1773.650
where: short stacking energy: -730.819
Base-Backbone interact. energy: 2.216
local terms energy: -765.320863
where:
bonds (distance) C4'-P energy: -146.036
bonds (distance) P-C4' energy: -157.933
flat angles C4'-P-C4' energy: -160.602
flat angles P-C4'-P energy: -104.883
tors. eta vs tors. theta energy: -195.868
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: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2468.498104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.498104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.498104 (E_RNA)
where:
Base-Base interactions energy: -1689.118
where: short stacking energy: -707.586
Base-Backbone interact. energy: 1.426
local terms energy: -780.805675
where:
bonds (distance) C4'-P energy: -147.844
bonds (distance) P-C4' energy: -147.066
flat angles C4'-P-C4' energy: -165.235
flat angles P-C4'-P energy: -109.836
tors. eta vs tors. theta energy: -210.825
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: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2379.532150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.532150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.532150 (E_RNA)
where:
Base-Base interactions energy: -1642.393
where: short stacking energy: -699.170
Base-Backbone interact. energy: -0.519
local terms energy: -736.620484
where:
bonds (distance) C4'-P energy: -132.587
bonds (distance) P-C4' energy: -144.492
flat angles C4'-P-C4' energy: -169.140
flat angles P-C4'-P energy: -85.841
tors. eta vs tors. theta energy: -204.561
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: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2182.541466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.541466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.541466 (E_RNA)
where:
Base-Base interactions energy: -1467.403
where: short stacking energy: -679.204
Base-Backbone interact. energy: -2.020
local terms energy: -713.118514
where:
bonds (distance) C4'-P energy: -123.137
bonds (distance) P-C4' energy: -142.574
flat angles C4'-P-C4' energy: -152.516
flat angles P-C4'-P energy: -100.062
tors. eta vs tors. theta energy: -194.828
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: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2038.682237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.682237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.682237 (E_RNA)
where:
Base-Base interactions energy: -1368.067
where: short stacking energy: -614.855
Base-Backbone interact. energy: -0.563
local terms energy: -670.051586
where:
bonds (distance) C4'-P energy: -128.844
bonds (distance) P-C4' energy: -129.907
flat angles C4'-P-C4' energy: -150.923
flat angles P-C4'-P energy: -90.640
tors. eta vs tors. theta energy: -169.737
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: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1996.429321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.429321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.429321 (E_RNA)
where:
Base-Base interactions energy: -1371.873
where: short stacking energy: -601.203
Base-Backbone interact. energy: -1.691
local terms energy: -622.865353
where:
bonds (distance) C4'-P energy: -111.787
bonds (distance) P-C4' energy: -129.545
flat angles C4'-P-C4' energy: -143.780
flat angles P-C4'-P energy: -91.295
tors. eta vs tors. theta energy: -146.457
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: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1879.007323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.007323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.007323 (E_RNA)
where:
Base-Base interactions energy: -1247.911
where: short stacking energy: -526.555
Base-Backbone interact. energy: -3.031
local terms energy: -628.065118
where:
bonds (distance) C4'-P energy: -116.632
bonds (distance) P-C4' energy: -130.976
flat angles C4'-P-C4' energy: -135.641
flat angles P-C4'-P energy: -97.757
tors. eta vs tors. theta energy: -147.059
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: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1398.939668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.939668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.939668 (E_RNA)
where:
Base-Base interactions energy: -870.463
where: short stacking energy: -421.159
Base-Backbone interact. energy: -2.111
local terms energy: -526.365934
where:
bonds (distance) C4'-P energy: -95.769
bonds (distance) P-C4' energy: -133.596
flat angles C4'-P-C4' energy: -129.894
flat angles P-C4'-P energy: -85.702
tors. eta vs tors. theta energy: -81.405
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: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -929.259222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.259222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.259222 (E_RNA)
where:
Base-Base interactions energy: -487.930
where: short stacking energy: -257.795
Base-Backbone interact. energy: 0.842
local terms energy: -442.171917
where:
bonds (distance) C4'-P energy: -121.239
bonds (distance) P-C4' energy: -134.991
flat angles C4'-P-C4' energy: -97.254
flat angles P-C4'-P energy: -75.767
tors. eta vs tors. theta energy: -12.921
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: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -869.503786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.503786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.503786 (E_RNA)
where:
Base-Base interactions energy: -473.008
where: short stacking energy: -237.470
Base-Backbone interact. energy: 5.641
local terms energy: -402.137089
where:
bonds (distance) C4'-P energy: -109.764
bonds (distance) P-C4' energy: -129.442
flat angles C4'-P-C4' energy: -120.337
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -2.835
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: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2553.129542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.129542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.129542 (E_RNA)
where:
Base-Base interactions energy: -1779.795
where: short stacking energy: -750.795
Base-Backbone interact. energy: -1.203
local terms energy: -772.131643
where:
bonds (distance) C4'-P energy: -151.082
bonds (distance) P-C4' energy: -139.833
flat angles C4'-P-C4' energy: -169.950
flat angles P-C4'-P energy: -104.796
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: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2457.574028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.574028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.574028 (E_RNA)
where:
Base-Base interactions energy: -1708.526
where: short stacking energy: -711.166
Base-Backbone interact. energy: -5.748
local terms energy: -743.300427
where:
bonds (distance) C4'-P energy: -141.690
bonds (distance) P-C4' energy: -144.163
flat angles C4'-P-C4' energy: -164.315
flat angles P-C4'-P energy: -108.168
tors. eta vs tors. theta energy: -184.966
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: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2405.678361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.678361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.678361 (E_RNA)
where:
Base-Base interactions energy: -1671.100
where: short stacking energy: -723.289
Base-Backbone interact. energy: -3.331
local terms energy: -731.248273
where:
bonds (distance) C4'-P energy: -135.339
bonds (distance) P-C4' energy: -131.808
flat angles C4'-P-C4' energy: -158.153
flat angles P-C4'-P energy: -96.051
tors. eta vs tors. theta energy: -209.896
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: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2153.881902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.881902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.881902 (E_RNA)
where:
Base-Base interactions energy: -1465.698
where: short stacking energy: -647.303
Base-Backbone interact. energy: -3.260
local terms energy: -684.924893
where:
bonds (distance) C4'-P energy: -122.070
bonds (distance) P-C4' energy: -137.046
flat angles C4'-P-C4' energy: -157.274
flat angles P-C4'-P energy: -90.038
tors. eta vs tors. theta energy: -178.497
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: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2071.332399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.332399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.332399 (E_RNA)
where:
Base-Base interactions energy: -1369.112
where: short stacking energy: -604.877
Base-Backbone interact. energy: -2.124
local terms energy: -700.096801
where:
bonds (distance) C4'-P energy: -137.851
bonds (distance) P-C4' energy: -135.294
flat angles C4'-P-C4' energy: -159.444
flat angles P-C4'-P energy: -99.975
tors. eta vs tors. theta energy: -167.533
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2018.964657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.964657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.964657 (E_RNA)
where:
Base-Base interactions energy: -1416.123
where: short stacking energy: -631.175
Base-Backbone interact. energy: 1.821
local terms energy: -604.663000
where:
bonds (distance) C4'-P energy: -96.663
bonds (distance) P-C4' energy: -117.522
flat angles C4'-P-C4' energy: -148.349
flat angles P-C4'-P energy: -92.309
tors. eta vs tors. theta energy: -149.819
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: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1879.715500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.715500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.715500 (E_RNA)
where:
Base-Base interactions energy: -1278.645
where: short stacking energy: -559.526
Base-Backbone interact. energy: 7.653
local terms energy: -608.723996
where:
bonds (distance) C4'-P energy: -110.979
bonds (distance) P-C4' energy: -117.804
flat angles C4'-P-C4' energy: -129.707
flat angles P-C4'-P energy: -102.088
tors. eta vs tors. theta energy: -148.146
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: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1343.219000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.219000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.219000 (E_RNA)
where:
Base-Base interactions energy: -824.357
where: short stacking energy: -395.193
Base-Backbone interact. energy: 0.764
local terms energy: -519.625448
where:
bonds (distance) C4'-P energy: -104.794
bonds (distance) P-C4' energy: -127.704
flat angles C4'-P-C4' energy: -127.640
flat angles P-C4'-P energy: -85.048
tors. eta vs tors. theta energy: -74.440
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: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -902.769832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.769832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.769832 (E_RNA)
where:
Base-Base interactions energy: -503.754
where: short stacking energy: -277.165
Base-Backbone interact. energy: 3.666
local terms energy: -402.682099
where:
bonds (distance) C4'-P energy: -108.510
bonds (distance) P-C4' energy: -130.811
flat angles C4'-P-C4' energy: -106.790
flat angles P-C4'-P energy: -51.271
tors. eta vs tors. theta energy: -5.300
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: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -853.818496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.818496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.818496 (E_RNA)
where:
Base-Base interactions energy: -447.091
where: short stacking energy: -244.498
Base-Backbone interact. energy: 1.410
local terms energy: -408.137344
where:
bonds (distance) C4'-P energy: -108.558
bonds (distance) P-C4' energy: -112.953
flat angles C4'-P-C4' energy: -112.224
flat angles P-C4'-P energy: -60.953
tors. eta vs tors. theta energy: -13.449
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: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2549.805168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.805168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.805168 (E_RNA)
where:
Base-Base interactions energy: -1788.538
where: short stacking energy: -759.194
Base-Backbone interact. energy: 0.185
local terms energy: -761.452145
where:
bonds (distance) C4'-P energy: -140.520
bonds (distance) P-C4' energy: -149.570
flat angles C4'-P-C4' energy: -163.581
flat angles P-C4'-P energy: -100.853
tors. eta vs tors. theta energy: -206.928
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: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2490.652337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.652337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.652337 (E_RNA)
where:
Base-Base interactions energy: -1726.168
where: short stacking energy: -685.787
Base-Backbone interact. energy: -4.439
local terms energy: -760.045745
where:
bonds (distance) C4'-P energy: -120.956
bonds (distance) P-C4' energy: -154.097
flat angles C4'-P-C4' energy: -177.207
flat angles P-C4'-P energy: -107.939
tors. eta vs tors. theta energy: -199.846
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: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2381.360956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.360956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.360956 (E_RNA)
where:
Base-Base interactions energy: -1635.522
where: short stacking energy: -701.294
Base-Backbone interact. energy: 0.709
local terms energy: -746.547698
where:
bonds (distance) C4'-P energy: -136.971
bonds (distance) P-C4' energy: -137.154
flat angles C4'-P-C4' energy: -160.277
flat angles P-C4'-P energy: -110.397
tors. eta vs tors. theta energy: -201.749
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: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2169.129583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.129583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.129583 (E_RNA)
where:
Base-Base interactions energy: -1491.248
where: short stacking energy: -649.976
Base-Backbone interact. energy: 0.340
local terms energy: -678.221075
where:
bonds (distance) C4'-P energy: -141.769
bonds (distance) P-C4' energy: -133.803
flat angles C4'-P-C4' energy: -144.410
flat angles P-C4'-P energy: -81.397
tors. eta vs tors. theta energy: -176.843
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: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2077.292435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.292435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.292435 (E_RNA)
where:
Base-Base interactions energy: -1389.132
where: short stacking energy: -638.703
Base-Backbone interact. energy: -2.763
local terms energy: -685.397363
where:
bonds (distance) C4'-P energy: -132.121
bonds (distance) P-C4' energy: -135.946
flat angles C4'-P-C4' energy: -141.850
flat angles P-C4'-P energy: -89.792
tors. eta vs tors. theta energy: -185.689
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: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1969.749693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.749693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.749693 (E_RNA)
where:
Base-Base interactions energy: -1353.662
where: short stacking energy: -588.525
Base-Backbone interact. energy: 4.437
local terms energy: -620.524052
where:
bonds (distance) C4'-P energy: -139.194
bonds (distance) P-C4' energy: -135.539
flat angles C4'-P-C4' energy: -130.049
flat angles P-C4'-P energy: -76.025
tors. eta vs tors. theta energy: -139.717
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: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1811.664055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.664055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.664055 (E_RNA)
where:
Base-Base interactions energy: -1222.307
where: short stacking energy: -543.942
Base-Backbone interact. energy: 6.089
local terms energy: -595.446634
where:
bonds (distance) C4'-P energy: -109.405
bonds (distance) P-C4' energy: -118.295
flat angles C4'-P-C4' energy: -132.800
flat angles P-C4'-P energy: -91.474
tors. eta vs tors. theta energy: -143.473
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: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1339.329492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.329492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.329492 (E_RNA)
where:
Base-Base interactions energy: -840.324
where: short stacking energy: -382.772
Base-Backbone interact. energy: 3.517
local terms energy: -502.522537
where:
bonds (distance) C4'-P energy: -105.772
bonds (distance) P-C4' energy: -129.740
flat angles C4'-P-C4' energy: -122.353
flat angles P-C4'-P energy: -84.251
tors. eta vs tors. theta energy: -60.407
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: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -928.143028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.143028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.143028 (E_RNA)
where:
Base-Base interactions energy: -545.704
where: short stacking energy: -289.672
Base-Backbone interact. energy: -0.842
local terms energy: -381.597288
where:
bonds (distance) C4'-P energy: -104.630
bonds (distance) P-C4' energy: -118.341
flat angles C4'-P-C4' energy: -88.139
flat angles P-C4'-P energy: -55.098
tors. eta vs tors. theta energy: -15.389
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: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -894.734089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.734089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.734089 (E_RNA)
where:
Base-Base interactions energy: -471.817
where: short stacking energy: -260.490
Base-Backbone interact. energy: -2.599
local terms energy: -420.318075
where:
bonds (distance) C4'-P energy: -119.235
bonds (distance) P-C4' energy: -119.456
flat angles C4'-P-C4' energy: -111.370
flat angles P-C4'-P energy: -51.895
tors. eta vs tors. theta energy: -18.362
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: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2552.962920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.962920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.962920 (E_RNA)
where:
Base-Base interactions energy: -1749.237
where: short stacking energy: -739.216
Base-Backbone interact. energy: -5.160
local terms energy: -798.565830
where:
bonds (distance) C4'-P energy: -150.411
bonds (distance) P-C4' energy: -148.521
flat angles C4'-P-C4' energy: -179.788
flat angles P-C4'-P energy: -110.722
tors. eta vs tors. theta energy: -209.124
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: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2507.604718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.604718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.604718 (E_RNA)
where:
Base-Base interactions energy: -1716.273
where: short stacking energy: -710.010
Base-Backbone interact. energy: -9.664
local terms energy: -781.667892
where:
bonds (distance) C4'-P energy: -154.957
bonds (distance) P-C4' energy: -139.144
flat angles C4'-P-C4' energy: -174.399
flat angles P-C4'-P energy: -107.086
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: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2380.125975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.125975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.125975 (E_RNA)
where:
Base-Base interactions energy: -1651.765
where: short stacking energy: -710.148
Base-Backbone interact. energy: -4.318
local terms energy: -724.043334
where:
bonds (distance) C4'-P energy: -134.676
bonds (distance) P-C4' energy: -136.782
flat angles C4'-P-C4' energy: -158.725
flat angles P-C4'-P energy: -95.387
tors. eta vs tors. theta energy: -198.474
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: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2200.964150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.964150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.964150 (E_RNA)
where:
Base-Base interactions energy: -1493.109
where: short stacking energy: -674.393
Base-Backbone interact. energy: -0.746
local terms energy: -707.109944
where:
bonds (distance) C4'-P energy: -129.517
bonds (distance) P-C4' energy: -126.822
flat angles C4'-P-C4' energy: -151.727
flat angles P-C4'-P energy: -110.430
tors. eta vs tors. theta energy: -188.615
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: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2030.207335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.207335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.207335 (E_RNA)
where:
Base-Base interactions energy: -1356.786
where: short stacking energy: -634.550
Base-Backbone interact. energy: -1.943
local terms energy: -671.477467
where:
bonds (distance) C4'-P energy: -128.768
bonds (distance) P-C4' energy: -118.213
flat angles C4'-P-C4' energy: -155.610
flat angles P-C4'-P energy: -93.420
tors. eta vs tors. theta energy: -175.467
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: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2010.081984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.081984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.081984 (E_RNA)
where:
Base-Base interactions energy: -1347.247
where: short stacking energy: -574.427
Base-Backbone interact. energy: 2.350
local terms energy: -665.185790
where:
bonds (distance) C4'-P energy: -115.733
bonds (distance) P-C4' energy: -139.365
flat angles C4'-P-C4' energy: -143.898
flat angles P-C4'-P energy: -103.587
tors. eta vs tors. theta energy: -162.602
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: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1759.103695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.103695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.103695 (E_RNA)
where:
Base-Base interactions energy: -1146.571
where: short stacking energy: -481.905
Base-Backbone interact. energy: 0.169
local terms energy: -612.701237
where:
bonds (distance) C4'-P energy: -134.201
bonds (distance) P-C4' energy: -125.141
flat angles C4'-P-C4' energy: -143.871
flat angles P-C4'-P energy: -87.423
tors. eta vs tors. theta energy: -122.065
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: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1319.154265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.154265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.154265 (E_RNA)
where:
Base-Base interactions energy: -806.117
where: short stacking energy: -373.143
Base-Backbone interact. energy: -2.518
local terms energy: -510.519559
where:
bonds (distance) C4'-P energy: -120.610
bonds (distance) P-C4' energy: -134.124
flat angles C4'-P-C4' energy: -113.127
flat angles P-C4'-P energy: -66.745
tors. eta vs tors. theta energy: -75.914
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: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -950.559557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.559557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.559557 (E_RNA)
where:
Base-Base interactions energy: -508.495
where: short stacking energy: -287.835
Base-Backbone interact. energy: -2.579
local terms energy: -439.485327
where:
bonds (distance) C4'-P energy: -126.602
bonds (distance) P-C4' energy: -120.228
flat angles C4'-P-C4' energy: -111.956
flat angles P-C4'-P energy: -50.006
tors. eta vs tors. theta energy: -30.693
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: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -907.756715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.756715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.756715 (E_RNA)
where:
Base-Base interactions energy: -507.042
where: short stacking energy: -247.930
Base-Backbone interact. energy: 1.228
local terms energy: -401.942349
where:
bonds (distance) C4'-P energy: -111.776
bonds (distance) P-C4' energy: -109.407
flat angles C4'-P-C4' energy: -107.695
flat angles P-C4'-P energy: -65.483
tors. eta vs tors. theta energy: -7.583
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: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2538.149686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.149686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.149686 (E_RNA)
where:
Base-Base interactions energy: -1765.116
where: short stacking energy: -748.491
Base-Backbone interact. energy: 2.823
local terms energy: -775.856373
where:
bonds (distance) C4'-P energy: -132.211
bonds (distance) P-C4' energy: -159.910
flat angles C4'-P-C4' energy: -156.554
flat angles P-C4'-P energy: -124.784
tors. eta vs tors. theta energy: -202.397
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: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2494.057576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.057576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.057576 (E_RNA)
where:
Base-Base interactions energy: -1730.299
where: short stacking energy: -725.807
Base-Backbone interact. energy: -3.046
local terms energy: -760.712427
where:
bonds (distance) C4'-P energy: -125.431
bonds (distance) P-C4' energy: -147.508
flat angles C4'-P-C4' energy: -165.733
flat angles P-C4'-P energy: -115.169
tors. eta vs tors. theta energy: -206.872
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: 150
Temperature: 1.000000
Total energy: -2342.181014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.181014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.181014 (E_RNA)
where:
Base-Base interactions energy: -1587.620
where: short stacking energy: -674.458
Base-Backbone interact. energy: -2.997
local terms energy: -751.563593
where:
bonds (distance) C4'-P energy: -146.839
bonds (distance) P-C4' energy: -143.317
flat angles C4'-P-C4' energy: -157.643
flat angles P-C4'-P energy: -106.334
tors. eta vs tors. theta energy: -197.430
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: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2211.477570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.477570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.477570 (E_RNA)
where:
Base-Base interactions energy: -1495.658
where: short stacking energy: -686.453
Base-Backbone interact. energy: -2.341
local terms energy: -713.478477
where:
bonds (distance) C4'-P energy: -128.643
bonds (distance) P-C4' energy: -126.066
flat angles C4'-P-C4' energy: -147.554
flat angles P-C4'-P energy: -112.814
tors. eta vs tors. theta energy: -198.402
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: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2092.034726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.034726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.034726 (E_RNA)
where:
Base-Base interactions energy: -1412.784
where: short stacking energy: -580.178
Base-Backbone interact. energy: 0.487
local terms energy: -679.737776
where:
bonds (distance) C4'-P energy: -133.742
bonds (distance) P-C4' energy: -134.364
flat angles C4'-P-C4' energy: -144.298
flat angles P-C4'-P energy: -104.715
tors. eta vs tors. theta energy: -162.620
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: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2015.110699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.110699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.110699 (E_RNA)
where:
Base-Base interactions energy: -1356.209
where: short stacking energy: -611.374
Base-Backbone interact. energy: -4.664
local terms energy: -654.237462
where:
bonds (distance) C4'-P energy: -122.876
bonds (distance) P-C4' energy: -135.460
flat angles C4'-P-C4' energy: -140.508
flat angles P-C4'-P energy: -89.988
tors. eta vs tors. theta energy: -165.405
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: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1806.919535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.919535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.919535 (E_RNA)
where:
Base-Base interactions energy: -1181.154
where: short stacking energy: -506.563
Base-Backbone interact. energy: -4.022
local terms energy: -621.743159
where:
bonds (distance) C4'-P energy: -130.212
bonds (distance) P-C4' energy: -127.976
flat angles C4'-P-C4' energy: -129.920
flat angles P-C4'-P energy: -101.766
tors. eta vs tors. theta energy: -131.869
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: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1296.278259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.278259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.278259 (E_RNA)
where:
Base-Base interactions energy: -783.985
where: short stacking energy: -383.455
Base-Backbone interact. energy: -0.692
local terms energy: -511.601336
where:
bonds (distance) C4'-P energy: -133.958
bonds (distance) P-C4' energy: -107.092
flat angles C4'-P-C4' energy: -116.608
flat angles P-C4'-P energy: -74.988
tors. eta vs tors. theta energy: -78.956
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: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -907.397013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.397013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.397013 (E_RNA)
where:
Base-Base interactions energy: -476.614
where: short stacking energy: -260.704
Base-Backbone interact. energy: -0.246
local terms energy: -430.536935
where:
bonds (distance) C4'-P energy: -110.701
bonds (distance) P-C4' energy: -131.587
flat angles C4'-P-C4' energy: -109.841
flat angles P-C4'-P energy: -59.060
tors. eta vs tors. theta energy: -19.349
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: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -928.069053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.069053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.069053 (E_RNA)
where:
Base-Base interactions energy: -493.677
where: short stacking energy: -262.591
Base-Backbone interact. energy: -0.745
local terms energy: -433.647164
where:
bonds (distance) C4'-P energy: -106.663
bonds (distance) P-C4' energy: -138.326
flat angles C4'-P-C4' energy: -113.612
flat angles P-C4'-P energy: -56.065
tors. eta vs tors. theta energy: -18.981
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: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2550.469347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.469347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.469347 (E_RNA)
where:
Base-Base interactions energy: -1784.374
where: short stacking energy: -765.533
Base-Backbone interact. energy: -3.789
local terms energy: -762.306152
where:
bonds (distance) C4'-P energy: -134.219
bonds (distance) P-C4' energy: -144.843
flat angles C4'-P-C4' energy: -167.382
flat angles P-C4'-P energy: -105.332
tors. eta vs tors. theta energy: -210.530
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: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2469.443051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.443051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.443051 (E_RNA)
where:
Base-Base interactions energy: -1702.220
where: short stacking energy: -728.485
Base-Backbone interact. energy: -5.177
local terms energy: -762.045423
where:
bonds (distance) C4'-P energy: -139.554
bonds (distance) P-C4' energy: -140.176
flat angles C4'-P-C4' energy: -154.599
flat angles P-C4'-P energy: -116.001
tors. eta vs tors. theta energy: -211.715
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: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2369.603938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.603938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.603938 (E_RNA)
where:
Base-Base interactions energy: -1593.913
where: short stacking energy: -703.318
Base-Backbone interact. energy: 0.489
local terms energy: -776.180266
where:
bonds (distance) C4'-P energy: -133.721
bonds (distance) P-C4' energy: -153.307
flat angles C4'-P-C4' energy: -159.800
flat angles P-C4'-P energy: -116.968
tors. eta vs tors. theta energy: -212.384
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: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2167.497452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.497452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.497452 (E_RNA)
where:
Base-Base interactions energy: -1468.553
where: short stacking energy: -654.069
Base-Backbone interact. energy: -1.284
local terms energy: -697.660902
where:
bonds (distance) C4'-P energy: -137.459
bonds (distance) P-C4' energy: -128.779
flat angles C4'-P-C4' energy: -149.155
flat angles P-C4'-P energy: -108.726
tors. eta vs tors. theta energy: -173.543
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: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2116.240926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.240926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.240926 (E_RNA)
where:
Base-Base interactions energy: -1432.350
where: short stacking energy: -625.404
Base-Backbone interact. energy: -2.788
local terms energy: -681.102759
where:
bonds (distance) C4'-P energy: -137.779
bonds (distance) P-C4' energy: -123.702
flat angles C4'-P-C4' energy: -156.396
flat angles P-C4'-P energy: -91.082
tors. eta vs tors. theta energy: -172.143
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: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2048.308718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.308718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.308718 (E_RNA)
where:
Base-Base interactions energy: -1387.281
where: short stacking energy: -623.474
Base-Backbone interact. energy: 2.276
local terms energy: -663.303401
where:
bonds (distance) C4'-P energy: -119.265
bonds (distance) P-C4' energy: -126.159
flat angles C4'-P-C4' energy: -144.732
flat angles P-C4'-P energy: -98.330
tors. eta vs tors. theta energy: -174.817
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: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1791.910900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.910900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.910900 (E_RNA)
where:
Base-Base interactions energy: -1213.902
where: short stacking energy: -521.412
Base-Backbone interact. energy: 3.688
local terms energy: -581.696427
where:
bonds (distance) C4'-P energy: -93.031
bonds (distance) P-C4' energy: -116.697
flat angles C4'-P-C4' energy: -143.397
flat angles P-C4'-P energy: -89.176
tors. eta vs tors. theta energy: -139.395
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: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1251.195181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.195181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.195181 (E_RNA)
where:
Base-Base interactions energy: -723.666
where: short stacking energy: -364.360
Base-Backbone interact. energy: -0.524
local terms energy: -527.006044
where:
bonds (distance) C4'-P energy: -125.671
bonds (distance) P-C4' energy: -118.641
flat angles C4'-P-C4' energy: -111.708
flat angles P-C4'-P energy: -86.588
tors. eta vs tors. theta energy: -84.397
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: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -954.404334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.404334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.404334 (E_RNA)
where:
Base-Base interactions energy: -545.597
where: short stacking energy: -311.550
Base-Backbone interact. energy: 0.004
local terms energy: -408.811057
where:
bonds (distance) C4'-P energy: -90.788
bonds (distance) P-C4' energy: -117.711
flat angles C4'-P-C4' energy: -105.194
flat angles P-C4'-P energy: -56.197
tors. eta vs tors. theta energy: -38.921
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: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -926.615168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.615168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.615168 (E_RNA)
where:
Base-Base interactions energy: -515.182
where: short stacking energy: -276.163
Base-Backbone interact. energy: -1.108
local terms energy: -410.325114
where:
bonds (distance) C4'-P energy: -102.031
bonds (distance) P-C4' energy: -104.673
flat angles C4'-P-C4' energy: -126.259
flat angles P-C4'-P energy: -56.763
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_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: 152
Temperature: 0.900000
Total energy: -2598.425866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.425866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.425866 (E_RNA)
where:
Base-Base interactions energy: -1799.395
where: short stacking energy: -744.586
Base-Backbone interact. energy: -5.606
local terms energy: -793.424961
where:
bonds (distance) C4'-P energy: -146.403
bonds (distance) P-C4' energy: -143.786
flat angles C4'-P-C4' energy: -172.909
flat angles P-C4'-P energy: -120.508
tors. eta vs tors. theta energy: -209.819
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: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2512.316350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.316350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.316350 (E_RNA)
where:
Base-Base interactions energy: -1731.064
where: short stacking energy: -734.231
Base-Backbone interact. energy: -6.416
local terms energy: -774.836648
where:
bonds (distance) C4'-P energy: -141.506
bonds (distance) P-C4' energy: -155.529
flat angles C4'-P-C4' energy: -153.142
flat angles P-C4'-P energy: -114.524
tors. eta vs tors. theta energy: -210.135
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: 152
Temperature: 1.000000
Total energy: -2395.136916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.136916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.136916 (E_RNA)
where:
Base-Base interactions energy: -1623.627
where: short stacking energy: -708.841
Base-Backbone interact. energy: -1.186
local terms energy: -770.323569
where:
bonds (distance) C4'-P energy: -134.634
bonds (distance) P-C4' energy: -155.001
flat angles C4'-P-C4' energy: -161.883
flat angles P-C4'-P energy: -116.788
tors. eta vs tors. theta energy: -202.017
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: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2165.689995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.689995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.689995 (E_RNA)
where:
Base-Base interactions energy: -1447.755
where: short stacking energy: -661.089
Base-Backbone interact. energy: -1.447
local terms energy: -716.488511
where:
bonds (distance) C4'-P energy: -147.991
bonds (distance) P-C4' energy: -133.090
flat angles C4'-P-C4' energy: -146.508
flat angles P-C4'-P energy: -100.665
tors. eta vs tors. theta energy: -188.236
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: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2129.728524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.728524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.728524 (E_RNA)
where:
Base-Base interactions energy: -1449.571
where: short stacking energy: -654.747
Base-Backbone interact. energy: -3.271
local terms energy: -676.886992
where:
bonds (distance) C4'-P energy: -125.236
bonds (distance) P-C4' energy: -135.325
flat angles C4'-P-C4' energy: -155.205
flat angles P-C4'-P energy: -89.172
tors. eta vs tors. theta energy: -171.949
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: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2013.498693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.498693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.498693 (E_RNA)
where:
Base-Base interactions energy: -1330.580
where: short stacking energy: -575.093
Base-Backbone interact. energy: 3.829
local terms energy: -686.747473
where:
bonds (distance) C4'-P energy: -138.966
bonds (distance) P-C4' energy: -133.834
flat angles C4'-P-C4' energy: -164.292
flat angles P-C4'-P energy: -83.533
tors. eta vs tors. theta energy: -166.122
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: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1748.443092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.443092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.443092 (E_RNA)
where:
Base-Base interactions energy: -1117.711
where: short stacking energy: -522.634
Base-Backbone interact. energy: 2.019
local terms energy: -632.750678
where:
bonds (distance) C4'-P energy: -138.739
bonds (distance) P-C4' energy: -142.053
flat angles C4'-P-C4' energy: -138.756
flat angles P-C4'-P energy: -82.695
tors. eta vs tors. theta energy: -130.509
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: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1219.209965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.209965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.209965 (E_RNA)
where:
Base-Base interactions energy: -748.423
where: short stacking energy: -358.015
Base-Backbone interact. energy: -0.991
local terms energy: -469.795774
where:
bonds (distance) C4'-P energy: -103.889
bonds (distance) P-C4' energy: -129.000
flat angles C4'-P-C4' energy: -124.977
flat angles P-C4'-P energy: -61.660
tors. eta vs tors. theta energy: -50.271
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: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -993.182987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.182987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.182987 (E_RNA)
where:
Base-Base interactions energy: -551.009
where: short stacking energy: -264.776
Base-Backbone interact. energy: 6.455
local terms energy: -448.629800
where:
bonds (distance) C4'-P energy: -131.940
bonds (distance) P-C4' energy: -132.958
flat angles C4'-P-C4' energy: -103.139
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -11.110
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: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -934.285594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.285594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.285594 (E_RNA)
where:
Base-Base interactions energy: -515.887
where: short stacking energy: -268.056
Base-Backbone interact. energy: -1.166
local terms energy: -417.232212
where:
bonds (distance) C4'-P energy: -120.786
bonds (distance) P-C4' energy: -114.222
flat angles C4'-P-C4' energy: -113.588
flat angles P-C4'-P energy: -48.601
tors. eta vs tors. theta energy: -20.036
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: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2572.224313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.224313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.224313 (E_RNA)
where:
Base-Base interactions energy: -1793.407
where: short stacking energy: -747.454
Base-Backbone interact. energy: -3.664
local terms energy: -775.152669
where:
bonds (distance) C4'-P energy: -142.655
bonds (distance) P-C4' energy: -140.964
flat angles C4'-P-C4' energy: -172.853
flat angles P-C4'-P energy: -110.506
tors. eta vs tors. theta energy: -208.174
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: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2479.004006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.004006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.004006 (E_RNA)
where:
Base-Base interactions energy: -1717.256
where: short stacking energy: -725.267
Base-Backbone interact. energy: -5.498
local terms energy: -756.249934
where:
bonds (distance) C4'-P energy: -138.785
bonds (distance) P-C4' energy: -144.363
flat angles C4'-P-C4' energy: -165.628
flat angles P-C4'-P energy: -107.840
tors. eta vs tors. theta energy: -199.634
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: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2393.049966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.049966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.049966 (E_RNA)
where:
Base-Base interactions energy: -1655.598
where: short stacking energy: -703.402
Base-Backbone interact. energy: -0.706
local terms energy: -736.745899
where:
bonds (distance) C4'-P energy: -124.729
bonds (distance) P-C4' energy: -136.883
flat angles C4'-P-C4' energy: -164.269
flat angles P-C4'-P energy: -104.575
tors. eta vs tors. theta energy: -206.289
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: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2167.167689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.167689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.167689 (E_RNA)
where:
Base-Base interactions energy: -1464.946
where: short stacking energy: -642.738
Base-Backbone interact. energy: -0.767
local terms energy: -701.454464
where:
bonds (distance) C4'-P energy: -136.354
bonds (distance) P-C4' energy: -136.093
flat angles C4'-P-C4' energy: -153.671
flat angles P-C4'-P energy: -100.493
tors. eta vs tors. theta energy: -174.844
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: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2119.353514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.353514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.353514 (E_RNA)
where:
Base-Base interactions energy: -1456.978
where: short stacking energy: -639.868
Base-Backbone interact. energy: -2.573
local terms energy: -659.802267
where:
bonds (distance) C4'-P energy: -129.532
bonds (distance) P-C4' energy: -123.619
flat angles C4'-P-C4' energy: -155.273
flat angles P-C4'-P energy: -87.662
tors. eta vs tors. theta energy: -163.715
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: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2026.182112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.182112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.182112 (E_RNA)
where:
Base-Base interactions energy: -1375.068
where: short stacking energy: -584.591
Base-Backbone interact. energy: 3.984
local terms energy: -655.098244
where:
bonds (distance) C4'-P energy: -134.930
bonds (distance) P-C4' energy: -111.421
flat angles C4'-P-C4' energy: -158.085
flat angles P-C4'-P energy: -89.367
tors. eta vs tors. theta energy: -161.295
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: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1681.083372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.083372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.083372 (E_RNA)
where:
Base-Base interactions energy: -1141.394
where: short stacking energy: -495.866
Base-Backbone interact. energy: -0.895
local terms energy: -538.794464
where:
bonds (distance) C4'-P energy: -109.037
bonds (distance) P-C4' energy: -109.232
flat angles C4'-P-C4' energy: -132.867
flat angles P-C4'-P energy: -83.782
tors. eta vs tors. theta energy: -103.876
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: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1229.017234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.017234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.017234 (E_RNA)
where:
Base-Base interactions energy: -779.421
where: short stacking energy: -345.880
Base-Backbone interact. energy: 3.024
local terms energy: -452.620583
where:
bonds (distance) C4'-P energy: -100.122
bonds (distance) P-C4' energy: -108.617
flat angles C4'-P-C4' energy: -123.819
flat angles P-C4'-P energy: -65.767
tors. eta vs tors. theta energy: -54.296
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: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -936.514437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.514437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.514437 (E_RNA)
where:
Base-Base interactions energy: -477.647
where: short stacking energy: -269.066
Base-Backbone interact. energy: 0.104
local terms energy: -458.971024
where:
bonds (distance) C4'-P energy: -122.127
bonds (distance) P-C4' energy: -122.264
flat angles C4'-P-C4' energy: -118.557
flat angles P-C4'-P energy: -64.861
tors. eta vs tors. theta energy: -31.162
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: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -940.147904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.147904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.147904 (E_RNA)
where:
Base-Base interactions energy: -517.991
where: short stacking energy: -264.945
Base-Backbone interact. energy: -0.321
local terms energy: -421.835640
where:
bonds (distance) C4'-P energy: -118.621
bonds (distance) P-C4' energy: -117.583
flat angles C4'-P-C4' energy: -103.733
flat angles P-C4'-P energy: -59.639
tors. eta vs tors. theta energy: -22.259
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: 154
Temperature: 0.900000
Total energy: -2557.720982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.720982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.720982 (E_RNA)
where:
Base-Base interactions energy: -1816.001
where: short stacking energy: -746.369
Base-Backbone interact. energy: -0.747
local terms energy: -740.973365
where:
bonds (distance) C4'-P energy: -138.740
bonds (distance) P-C4' energy: -138.189
flat angles C4'-P-C4' energy: -163.621
flat angles P-C4'-P energy: -105.518
tors. eta vs tors. theta energy: -194.906
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: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2503.532493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.532493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.532493 (E_RNA)
where:
Base-Base interactions energy: -1749.888
where: short stacking energy: -744.653
Base-Backbone interact. energy: -0.020
local terms energy: -753.625047
where:
bonds (distance) C4'-P energy: -131.206
bonds (distance) P-C4' energy: -145.032
flat angles C4'-P-C4' energy: -152.415
flat angles P-C4'-P energy: -109.768
tors. eta vs tors. theta energy: -215.203
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: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2409.368500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.368500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.368500 (E_RNA)
where:
Base-Base interactions energy: -1672.500
where: short stacking energy: -697.555
Base-Backbone interact. energy: -2.730
local terms energy: -734.138297
where:
bonds (distance) C4'-P energy: -131.719
bonds (distance) P-C4' energy: -141.905
flat angles C4'-P-C4' energy: -149.303
flat angles P-C4'-P energy: -111.494
tors. eta vs tors. theta energy: -199.718
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: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2182.519859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.519859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.519859 (E_RNA)
where:
Base-Base interactions energy: -1496.001
where: short stacking energy: -659.575
Base-Backbone interact. energy: 2.214
local terms energy: -688.733456
where:
bonds (distance) C4'-P energy: -118.947
bonds (distance) P-C4' energy: -142.316
flat angles C4'-P-C4' energy: -141.247
flat angles P-C4'-P energy: -97.350
tors. eta vs tors. theta energy: -188.873
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: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2112.427007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.427007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.427007 (E_RNA)
where:
Base-Base interactions energy: -1464.098
where: short stacking energy: -588.995
Base-Backbone interact. energy: -0.447
local terms energy: -647.881711
where:
bonds (distance) C4'-P energy: -136.946
bonds (distance) P-C4' energy: -111.872
flat angles C4'-P-C4' energy: -142.688
flat angles P-C4'-P energy: -92.128
tors. eta vs tors. theta energy: -164.248
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: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2027.938755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.938755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.938755 (E_RNA)
where:
Base-Base interactions energy: -1370.392
where: short stacking energy: -603.034
Base-Backbone interact. energy: -2.835
local terms energy: -654.711762
where:
bonds (distance) C4'-P energy: -122.395
bonds (distance) P-C4' energy: -137.227
flat angles C4'-P-C4' energy: -150.266
flat angles P-C4'-P energy: -90.339
tors. eta vs tors. theta energy: -154.485
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: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1714.505562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.505562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.505562 (E_RNA)
where:
Base-Base interactions energy: -1136.255
where: short stacking energy: -486.566
Base-Backbone interact. energy: -1.997
local terms energy: -576.253889
where:
bonds (distance) C4'-P energy: -106.000
bonds (distance) P-C4' energy: -125.043
flat angles C4'-P-C4' energy: -136.616
flat angles P-C4'-P energy: -102.205
tors. eta vs tors. theta energy: -106.390
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: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1343.726786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.726786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.726786 (E_RNA)
where:
Base-Base interactions energy: -855.555
where: short stacking energy: -376.052
Base-Backbone interact. energy: 1.404
local terms energy: -489.575511
where:
bonds (distance) C4'-P energy: -121.349
bonds (distance) P-C4' energy: -114.474
flat angles C4'-P-C4' energy: -117.704
flat angles P-C4'-P energy: -75.378
tors. eta vs tors. theta energy: -60.670
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: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1007.617969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.617969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.617969 (E_RNA)
where:
Base-Base interactions energy: -548.618
where: short stacking energy: -284.325
Base-Backbone interact. energy: -2.117
local terms energy: -456.883177
where:
bonds (distance) C4'-P energy: -106.982
bonds (distance) P-C4' energy: -122.873
flat angles C4'-P-C4' energy: -123.128
flat angles P-C4'-P energy: -69.086
tors. eta vs tors. theta energy: -34.814
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: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -853.927241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.927241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.927241 (E_RNA)
where:
Base-Base interactions energy: -472.366
where: short stacking energy: -223.657
Base-Backbone interact. energy: 4.128
local terms energy: -385.688786
where:
bonds (distance) C4'-P energy: -110.885
bonds (distance) P-C4' energy: -123.905
flat angles C4'-P-C4' energy: -104.795
flat angles P-C4'-P energy: -45.896
tors. eta vs tors. theta energy: -0.207
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: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2528.142171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.142171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.142171 (E_RNA)
where:
Base-Base interactions energy: -1783.400
where: short stacking energy: -716.389
Base-Backbone interact. energy: -2.610
local terms energy: -742.132078
where:
bonds (distance) C4'-P energy: -121.597
bonds (distance) P-C4' energy: -148.484
flat angles C4'-P-C4' energy: -162.357
flat angles P-C4'-P energy: -120.285
tors. eta vs tors. theta energy: -189.409
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: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2487.277557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.277557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.277557 (E_RNA)
where:
Base-Base interactions energy: -1716.569
where: short stacking energy: -720.195
Base-Backbone interact. energy: -5.147
local terms energy: -765.561784
where:
bonds (distance) C4'-P energy: -127.711
bonds (distance) P-C4' energy: -157.123
flat angles C4'-P-C4' energy: -171.380
flat angles P-C4'-P energy: -98.158
tors. eta vs tors. theta energy: -211.189
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: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2370.867756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.867756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.867756 (E_RNA)
where:
Base-Base interactions energy: -1641.124
where: short stacking energy: -708.485
Base-Backbone interact. energy: -1.206
local terms energy: -728.538135
where:
bonds (distance) C4'-P energy: -124.733
bonds (distance) P-C4' energy: -126.418
flat angles C4'-P-C4' energy: -167.456
flat angles P-C4'-P energy: -104.229
tors. eta vs tors. theta energy: -205.702
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: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2175.446862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.446862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.446862 (E_RNA)
where:
Base-Base interactions energy: -1496.057
where: short stacking energy: -665.350
Base-Backbone interact. energy: -4.778
local terms energy: -674.612232
where:
bonds (distance) C4'-P energy: -123.541
bonds (distance) P-C4' energy: -130.856
flat angles C4'-P-C4' energy: -149.551
flat angles P-C4'-P energy: -92.085
tors. eta vs tors. theta energy: -178.580
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: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2104.893637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.893637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.893637 (E_RNA)
where:
Base-Base interactions energy: -1438.927
where: short stacking energy: -639.366
Base-Backbone interact. energy: -2.843
local terms energy: -663.123372
where:
bonds (distance) C4'-P energy: -106.199
bonds (distance) P-C4' energy: -126.994
flat angles C4'-P-C4' energy: -145.136
flat angles P-C4'-P energy: -101.335
tors. eta vs tors. theta energy: -183.458
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: 155
Temperature: 1.150000
Total energy: -2036.804334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.804334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.804334 (E_RNA)
where:
Base-Base interactions energy: -1371.996
where: short stacking energy: -611.921
Base-Backbone interact. energy: -3.143
local terms energy: -661.664828
where:
bonds (distance) C4'-P energy: -121.158
bonds (distance) P-C4' energy: -120.658
flat angles C4'-P-C4' energy: -152.756
flat angles P-C4'-P energy: -105.350
tors. eta vs tors. theta energy: -161.744
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: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1774.028903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.028903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.028903 (E_RNA)
where:
Base-Base interactions energy: -1187.618
where: short stacking energy: -508.572
Base-Backbone interact. energy: 1.080
local terms energy: -587.491288
where:
bonds (distance) C4'-P energy: -113.998
bonds (distance) P-C4' energy: -117.784
flat angles C4'-P-C4' energy: -134.413
flat angles P-C4'-P energy: -85.255
tors. eta vs tors. theta energy: -136.042
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: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1362.224209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.224209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.224209 (E_RNA)
where:
Base-Base interactions energy: -838.304
where: short stacking energy: -405.225
Base-Backbone interact. energy: -2.331
local terms energy: -521.589162
where:
bonds (distance) C4'-P energy: -117.399
bonds (distance) P-C4' energy: -129.060
flat angles C4'-P-C4' energy: -111.771
flat angles P-C4'-P energy: -81.553
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: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1033.037261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.037261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.037261 (E_RNA)
where:
Base-Base interactions energy: -553.406
where: short stacking energy: -272.409
Base-Backbone interact. energy: -3.345
local terms energy: -476.286494
where:
bonds (distance) C4'-P energy: -121.317
bonds (distance) P-C4' energy: -132.787
flat angles C4'-P-C4' energy: -126.852
flat angles P-C4'-P energy: -85.615
tors. eta vs tors. theta energy: -9.715
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: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -861.963554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.963554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.963554 (E_RNA)
where:
Base-Base interactions energy: -456.367
where: short stacking energy: -251.941
Base-Backbone interact. energy: -2.027
local terms energy: -403.569822
where:
bonds (distance) C4'-P energy: -115.482
bonds (distance) P-C4' energy: -128.437
flat angles C4'-P-C4' energy: -89.068
flat angles P-C4'-P energy: -69.849
tors. eta vs tors. theta energy: -0.733
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: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2541.720656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.720656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.720656 (E_RNA)
where:
Base-Base interactions energy: -1768.272
where: short stacking energy: -747.633
Base-Backbone interact. energy: -5.513
local terms energy: -767.935250
where:
bonds (distance) C4'-P energy: -144.353
bonds (distance) P-C4' energy: -144.531
flat angles C4'-P-C4' energy: -170.383
flat angles P-C4'-P energy: -109.589
tors. eta vs tors. theta energy: -199.079
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: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2458.102377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.102377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.102377 (E_RNA)
where:
Base-Base interactions energy: -1700.482
where: short stacking energy: -717.377
Base-Backbone interact. energy: -0.649
local terms energy: -756.972132
where:
bonds (distance) C4'-P energy: -130.875
bonds (distance) P-C4' energy: -150.067
flat angles C4'-P-C4' energy: -170.734
flat angles P-C4'-P energy: -90.810
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: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2386.759580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.759580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.759580 (E_RNA)
where:
Base-Base interactions energy: -1658.659
where: short stacking energy: -689.120
Base-Backbone interact. energy: -2.216
local terms energy: -725.885344
where:
bonds (distance) C4'-P energy: -127.866
bonds (distance) P-C4' energy: -142.936
flat angles C4'-P-C4' energy: -160.067
flat angles P-C4'-P energy: -85.858
tors. eta vs tors. theta energy: -209.159
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: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2209.005906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.005906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.005906 (E_RNA)
where:
Base-Base interactions energy: -1511.696
where: short stacking energy: -639.829
Base-Backbone interact. energy: -1.171
local terms energy: -696.139104
where:
bonds (distance) C4'-P energy: -130.603
bonds (distance) P-C4' energy: -139.752
flat angles C4'-P-C4' energy: -150.076
flat angles P-C4'-P energy: -95.310
tors. eta vs tors. theta energy: -180.397
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: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2126.641073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.641073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.641073 (E_RNA)
where:
Base-Base interactions energy: -1469.647
where: short stacking energy: -639.479
Base-Backbone interact. energy: -5.073
local terms energy: -651.921415
where:
bonds (distance) C4'-P energy: -110.245
bonds (distance) P-C4' energy: -133.411
flat angles C4'-P-C4' energy: -144.568
flat angles P-C4'-P energy: -94.931
tors. eta vs tors. theta energy: -168.767
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: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1987.474815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.474815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.474815 (E_RNA)
where:
Base-Base interactions energy: -1344.473
where: short stacking energy: -563.115
Base-Backbone interact. energy: -3.485
local terms energy: -639.517274
where:
bonds (distance) C4'-P energy: -130.487
bonds (distance) P-C4' energy: -116.662
flat angles C4'-P-C4' energy: -150.105
flat angles P-C4'-P energy: -89.872
tors. eta vs tors. theta energy: -152.391
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: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1805.285052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.285052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.285052 (E_RNA)
where:
Base-Base interactions energy: -1229.897
where: short stacking energy: -544.976
Base-Backbone interact. energy: -0.372
local terms energy: -575.015149
where:
bonds (distance) C4'-P energy: -112.602
bonds (distance) P-C4' energy: -106.449
flat angles C4'-P-C4' energy: -135.602
flat angles P-C4'-P energy: -73.480
tors. eta vs tors. theta energy: -146.882
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: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1301.587305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.587305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.587305 (E_RNA)
where:
Base-Base interactions energy: -801.476
where: short stacking energy: -399.473
Base-Backbone interact. energy: -1.373
local terms energy: -498.738474
where:
bonds (distance) C4'-P energy: -113.898
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -116.819
flat angles P-C4'-P energy: -88.591
tors. eta vs tors. theta energy: -87.657
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: 9, replica: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1094.912539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.912539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.912539 (E_RNA)
where:
Base-Base interactions energy: -636.620
where: short stacking energy: -301.301
Base-Backbone interact. energy: -3.251
local terms energy: -455.041794
where:
bonds (distance) C4'-P energy: -107.251
bonds (distance) P-C4' energy: -129.882
flat angles C4'-P-C4' energy: -132.356
flat angles P-C4'-P energy: -60.898
tors. eta vs tors. theta energy: -24.654
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: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -881.734190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.734190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.734190 (E_RNA)
where:
Base-Base interactions energy: -498.899
where: short stacking energy: -279.284
Base-Backbone interact. energy: -0.308
local terms energy: -382.527603
where:
bonds (distance) C4'-P energy: -97.143
bonds (distance) P-C4' energy: -127.876
flat angles C4'-P-C4' energy: -87.226
flat angles P-C4'-P energy: -46.581
tors. eta vs tors. theta energy: -23.702
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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2526.528906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.528906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.528906 (E_RNA)
where:
Base-Base interactions energy: -1776.901
where: short stacking energy: -758.138
Base-Backbone interact. energy: -3.047
local terms energy: -746.580679
where:
bonds (distance) C4'-P energy: -140.450
bonds (distance) P-C4' energy: -128.368
flat angles C4'-P-C4' energy: -168.557
flat angles P-C4'-P energy: -112.692
tors. eta vs tors. theta energy: -196.513
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: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2436.412386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.412386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.412386 (E_RNA)
where:
Base-Base interactions energy: -1694.300
where: short stacking energy: -703.358
Base-Backbone interact. energy: 3.918
local terms energy: -746.030009
where:
bonds (distance) C4'-P energy: -143.785
bonds (distance) P-C4' energy: -142.596
flat angles C4'-P-C4' energy: -168.024
flat angles P-C4'-P energy: -97.363
tors. eta vs tors. theta energy: -194.262
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: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2446.170921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.170921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.170921 (E_RNA)
where:
Base-Base interactions energy: -1680.168
where: short stacking energy: -732.362
Base-Backbone interact. energy: -1.794
local terms energy: -764.209067
where:
bonds (distance) C4'-P energy: -120.560
bonds (distance) P-C4' energy: -141.903
flat angles C4'-P-C4' energy: -171.633
flat angles P-C4'-P energy: -116.675
tors. eta vs tors. theta energy: -213.437
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: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2249.838588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.838588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.838588 (E_RNA)
where:
Base-Base interactions energy: -1542.192
where: short stacking energy: -653.330
Base-Backbone interact. energy: -4.573
local terms energy: -703.073642
where:
bonds (distance) C4'-P energy: -129.172
bonds (distance) P-C4' energy: -143.251
flat angles C4'-P-C4' energy: -150.425
flat angles P-C4'-P energy: -92.731
tors. eta vs tors. theta energy: -187.495
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: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2124.704204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.704204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.704204 (E_RNA)
where:
Base-Base interactions energy: -1423.522
where: short stacking energy: -646.926
Base-Backbone interact. energy: -5.065
local terms energy: -696.116581
where:
bonds (distance) C4'-P energy: -133.569
bonds (distance) P-C4' energy: -148.064
flat angles C4'-P-C4' energy: -145.816
flat angles P-C4'-P energy: -92.131
tors. eta vs tors. theta energy: -176.536
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: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1980.928053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.928053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.928053 (E_RNA)
where:
Base-Base interactions energy: -1327.335
where: short stacking energy: -573.907
Base-Backbone interact. energy: -3.192
local terms energy: -650.401034
where:
bonds (distance) C4'-P energy: -119.330
bonds (distance) P-C4' energy: -132.391
flat angles C4'-P-C4' energy: -150.655
flat angles P-C4'-P energy: -96.406
tors. eta vs tors. theta energy: -151.620
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: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1786.780983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.780983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.780983 (E_RNA)
where:
Base-Base interactions energy: -1203.036
where: short stacking energy: -506.937
Base-Backbone interact. energy: -0.649
local terms energy: -583.096355
where:
bonds (distance) C4'-P energy: -116.733
bonds (distance) P-C4' energy: -132.610
flat angles C4'-P-C4' energy: -136.260
flat angles P-C4'-P energy: -72.281
tors. eta vs tors. theta energy: -125.212
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: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1299.322730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.322730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.322730 (E_RNA)
where:
Base-Base interactions energy: -811.991
where: short stacking energy: -383.220
Base-Backbone interact. energy: -2.721
local terms energy: -484.610515
where:
bonds (distance) C4'-P energy: -125.155
bonds (distance) P-C4' energy: -122.693
flat angles C4'-P-C4' energy: -115.315
flat angles P-C4'-P energy: -49.871
tors. eta vs tors. theta energy: -71.576
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: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1086.376419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.376419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.376419 (E_RNA)
where:
Base-Base interactions energy: -613.468
where: short stacking energy: -313.876
Base-Backbone interact. energy: -0.516
local terms energy: -472.391743
where:
bonds (distance) C4'-P energy: -106.421
bonds (distance) P-C4' energy: -131.896
flat angles C4'-P-C4' energy: -106.726
flat angles P-C4'-P energy: -76.457
tors. eta vs tors. theta energy: -50.892
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: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -842.349222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.349222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.349222 (E_RNA)
where:
Base-Base interactions energy: -436.936
where: short stacking energy: -264.546
Base-Backbone interact. energy: -0.028
local terms energy: -405.384992
where:
bonds (distance) C4'-P energy: -98.171
bonds (distance) P-C4' energy: -117.575
flat angles C4'-P-C4' energy: -112.059
flat angles P-C4'-P energy: -46.277
tors. eta vs tors. theta energy: -31.302
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: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2569.445050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.445050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.445050 (E_RNA)
where:
Base-Base interactions energy: -1773.569
where: short stacking energy: -740.078
Base-Backbone interact. energy: -5.213
local terms energy: -790.663580
where:
bonds (distance) C4'-P energy: -147.404
bonds (distance) P-C4' energy: -148.786
flat angles C4'-P-C4' energy: -164.714
flat angles P-C4'-P energy: -117.977
tors. eta vs tors. theta energy: -211.783
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: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2435.402747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.402747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.402747 (E_RNA)
where:
Base-Base interactions energy: -1693.749
where: short stacking energy: -717.130
Base-Backbone interact. energy: -1.359
local terms energy: -740.295051
where:
bonds (distance) C4'-P energy: -126.580
bonds (distance) P-C4' energy: -144.676
flat angles C4'-P-C4' energy: -163.215
flat angles P-C4'-P energy: -104.941
tors. eta vs tors. theta energy: -200.883
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: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2390.401086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.401086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.401086 (E_RNA)
where:
Base-Base interactions energy: -1646.759
where: short stacking energy: -723.874
Base-Backbone interact. energy: -4.531
local terms energy: -739.110803
where:
bonds (distance) C4'-P energy: -119.450
bonds (distance) P-C4' energy: -143.019
flat angles C4'-P-C4' energy: -165.389
flat angles P-C4'-P energy: -94.312
tors. eta vs tors. theta energy: -216.940
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: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2225.572185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.572185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.572185 (E_RNA)
where:
Base-Base interactions energy: -1534.847
where: short stacking energy: -642.411
Base-Backbone interact. energy: -2.240
local terms energy: -688.484913
where:
bonds (distance) C4'-P energy: -109.764
bonds (distance) P-C4' energy: -150.015
flat angles C4'-P-C4' energy: -160.160
flat angles P-C4'-P energy: -94.365
tors. eta vs tors. theta energy: -174.180
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: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2118.415464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.415464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.415464 (E_RNA)
where:
Base-Base interactions energy: -1481.817
where: short stacking energy: -647.257
Base-Backbone interact. energy: 4.997
local terms energy: -641.596371
where:
bonds (distance) C4'-P energy: -113.455
bonds (distance) P-C4' energy: -138.567
flat angles C4'-P-C4' energy: -140.028
flat angles P-C4'-P energy: -91.755
tors. eta vs tors. theta energy: -157.791
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: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2020.150326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.150326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.150326 (E_RNA)
where:
Base-Base interactions energy: -1370.023
where: short stacking energy: -593.303
Base-Backbone interact. energy: -3.004
local terms energy: -647.123521
where:
bonds (distance) C4'-P energy: -106.641
bonds (distance) P-C4' energy: -135.008
flat angles C4'-P-C4' energy: -153.226
flat angles P-C4'-P energy: -81.440
tors. eta vs tors. theta energy: -170.808
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: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1827.252786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.252786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.252786 (E_RNA)
where:
Base-Base interactions energy: -1213.095
where: short stacking energy: -517.782
Base-Backbone interact. energy: -0.299
local terms energy: -613.859038
where:
bonds (distance) C4'-P energy: -140.419
bonds (distance) P-C4' energy: -139.426
flat angles C4'-P-C4' energy: -135.685
flat angles P-C4'-P energy: -80.162
tors. eta vs tors. theta energy: -118.167
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: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1276.387934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.387934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.387934 (E_RNA)
where:
Base-Base interactions energy: -745.298
where: short stacking energy: -356.472
Base-Backbone interact. energy: 0.835
local terms energy: -531.924311
where:
bonds (distance) C4'-P energy: -126.169
bonds (distance) P-C4' energy: -126.640
flat angles C4'-P-C4' energy: -138.279
flat angles P-C4'-P energy: -72.182
tors. eta vs tors. theta energy: -68.655
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: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1061.664381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.664381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.664381 (E_RNA)
where:
Base-Base interactions energy: -612.466
where: short stacking energy: -304.199
Base-Backbone interact. energy: 4.216
local terms energy: -453.414622
where:
bonds (distance) C4'-P energy: -109.674
bonds (distance) P-C4' energy: -123.195
flat angles C4'-P-C4' energy: -98.122
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -42.605
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: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -838.705463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.705463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.705463 (E_RNA)
where:
Base-Base interactions energy: -442.205
where: short stacking energy: -246.262
Base-Backbone interact. energy: 5.298
local terms energy: -401.798461
where:
bonds (distance) C4'-P energy: -137.809
bonds (distance) P-C4' energy: -114.876
flat angles C4'-P-C4' energy: -98.958
flat angles P-C4'-P energy: -33.739
tors. eta vs tors. theta energy: -16.416
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: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2538.815644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.815644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.815644 (E_RNA)
where:
Base-Base interactions energy: -1772.381
where: short stacking energy: -722.510
Base-Backbone interact. energy: -6.406
local terms energy: -760.028488
where:
bonds (distance) C4'-P energy: -141.774
bonds (distance) P-C4' energy: -157.975
flat angles C4'-P-C4' energy: -153.649
flat angles P-C4'-P energy: -109.371
tors. eta vs tors. theta energy: -197.260
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: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2436.248635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.248635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.248635 (E_RNA)
where:
Base-Base interactions energy: -1676.043
where: short stacking energy: -703.782
Base-Backbone interact. energy: -3.479
local terms energy: -756.726983
where:
bonds (distance) C4'-P energy: -141.407
bonds (distance) P-C4' energy: -137.891
flat angles C4'-P-C4' energy: -164.260
flat angles P-C4'-P energy: -107.563
tors. eta vs tors. theta energy: -205.607
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: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2390.774818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.774818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.774818 (E_RNA)
where:
Base-Base interactions energy: -1650.617
where: short stacking energy: -701.113
Base-Backbone interact. energy: -2.794
local terms energy: -737.363595
where:
bonds (distance) C4'-P energy: -130.941
bonds (distance) P-C4' energy: -145.997
flat angles C4'-P-C4' energy: -153.008
flat angles P-C4'-P energy: -112.016
tors. eta vs tors. theta energy: -195.402
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: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2221.159838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.159838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.159838 (E_RNA)
where:
Base-Base interactions energy: -1566.713
where: short stacking energy: -685.298
Base-Backbone interact. energy: 0.860
local terms energy: -655.307602
where:
bonds (distance) C4'-P energy: -130.979
bonds (distance) P-C4' energy: -114.261
flat angles C4'-P-C4' energy: -147.608
flat angles P-C4'-P energy: -81.089
tors. eta vs tors. theta energy: -181.370
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: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2094.922306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.922306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.922306 (E_RNA)
where:
Base-Base interactions energy: -1429.249
where: short stacking energy: -653.830
Base-Backbone interact. energy: -1.730
local terms energy: -663.944059
where:
bonds (distance) C4'-P energy: -109.036
bonds (distance) P-C4' energy: -134.172
flat angles C4'-P-C4' energy: -147.033
flat angles P-C4'-P energy: -100.527
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: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2024.276295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.276295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.276295 (E_RNA)
where:
Base-Base interactions energy: -1369.311
where: short stacking energy: -582.032
Base-Backbone interact. energy: -0.435
local terms energy: -654.530207
where:
bonds (distance) C4'-P energy: -112.007
bonds (distance) P-C4' energy: -135.914
flat angles C4'-P-C4' energy: -146.464
flat angles P-C4'-P energy: -89.943
tors. eta vs tors. theta energy: -170.202
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: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1750.839038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.839038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.839038 (E_RNA)
where:
Base-Base interactions energy: -1164.307
where: short stacking energy: -476.701
Base-Backbone interact. energy: -3.721
local terms energy: -582.810989
where:
bonds (distance) C4'-P energy: -111.542
bonds (distance) P-C4' energy: -136.002
flat angles C4'-P-C4' energy: -145.541
flat angles P-C4'-P energy: -81.132
tors. eta vs tors. theta energy: -108.595
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: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1218.147350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.147350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.147350 (E_RNA)
where:
Base-Base interactions energy: -721.639
where: short stacking energy: -368.836
Base-Backbone interact. energy: -2.054
local terms energy: -494.454274
where:
bonds (distance) C4'-P energy: -134.100
bonds (distance) P-C4' energy: -124.658
flat angles C4'-P-C4' energy: -117.598
flat angles P-C4'-P energy: -59.128
tors. eta vs tors. theta energy: -58.970
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: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1049.107760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.107760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.107760 (E_RNA)
where:
Base-Base interactions energy: -611.490
where: short stacking energy: -316.386
Base-Backbone interact. energy: -2.171
local terms energy: -435.446023
where:
bonds (distance) C4'-P energy: -116.518
bonds (distance) P-C4' energy: -114.966
flat angles C4'-P-C4' energy: -95.388
flat angles P-C4'-P energy: -72.083
tors. eta vs tors. theta energy: -36.491
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: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -819.257741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.257741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.257741 (E_RNA)
where:
Base-Base interactions energy: -408.015
where: short stacking energy: -248.642
Base-Backbone interact. energy: 1.794
local terms energy: -413.036588
where:
bonds (distance) C4'-P energy: -108.418
bonds (distance) P-C4' energy: -133.553
flat angles C4'-P-C4' energy: -94.623
flat angles P-C4'-P energy: -65.372
tors. eta vs tors. theta energy: -11.070
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: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2532.776296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.776296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.776296 (E_RNA)
where:
Base-Base interactions energy: -1754.769
where: short stacking energy: -705.908
Base-Backbone interact. energy: -4.887
local terms energy: -773.120323
where:
bonds (distance) C4'-P energy: -151.883
bonds (distance) P-C4' energy: -143.177
flat angles C4'-P-C4' energy: -159.795
flat angles P-C4'-P energy: -119.679
tors. eta vs tors. theta energy: -198.586
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: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2490.204749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.204749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.204749 (E_RNA)
where:
Base-Base interactions energy: -1720.224
where: short stacking energy: -709.021
Base-Backbone interact. energy: -6.247
local terms energy: -763.733798
where:
bonds (distance) C4'-P energy: -145.574
bonds (distance) P-C4' energy: -144.916
flat angles C4'-P-C4' energy: -162.888
flat angles P-C4'-P energy: -99.409
tors. eta vs tors. theta energy: -210.947
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: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2422.202770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.202770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.202770 (E_RNA)
where:
Base-Base interactions energy: -1679.362
where: short stacking energy: -700.876
Base-Backbone interact. energy: -2.701
local terms energy: -740.139167
where:
bonds (distance) C4'-P energy: -139.702
bonds (distance) P-C4' energy: -133.568
flat angles C4'-P-C4' energy: -168.724
flat angles P-C4'-P energy: -94.131
tors. eta vs tors. theta energy: -204.014
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: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2246.011270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.011270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.011270 (E_RNA)
where:
Base-Base interactions energy: -1513.545
where: short stacking energy: -655.930
Base-Backbone interact. energy: -1.122
local terms energy: -731.343703
where:
bonds (distance) C4'-P energy: -132.517
bonds (distance) P-C4' energy: -128.702
flat angles C4'-P-C4' energy: -157.311
flat angles P-C4'-P energy: -112.674
tors. eta vs tors. theta energy: -200.138
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: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2156.745729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.745729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.745729 (E_RNA)
where:
Base-Base interactions energy: -1497.461
where: short stacking energy: -647.462
Base-Backbone interact. energy: -1.846
local terms energy: -657.438486
where:
bonds (distance) C4'-P energy: -110.640
bonds (distance) P-C4' energy: -122.188
flat angles C4'-P-C4' energy: -156.761
flat angles P-C4'-P energy: -94.810
tors. eta vs tors. theta energy: -173.039
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: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2061.060128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.060128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.060128 (E_RNA)
where:
Base-Base interactions energy: -1404.375
where: short stacking energy: -586.840
Base-Backbone interact. energy: -0.111
local terms energy: -656.574068
where:
bonds (distance) C4'-P energy: -108.126
bonds (distance) P-C4' energy: -136.483
flat angles C4'-P-C4' energy: -152.286
flat angles P-C4'-P energy: -98.313
tors. eta vs tors. theta energy: -161.366
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: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1742.087713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.087713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.087713 (E_RNA)
where:
Base-Base interactions energy: -1195.934
where: short stacking energy: -517.128
Base-Backbone interact. energy: 1.366
local terms energy: -547.519561
where:
bonds (distance) C4'-P energy: -120.271
bonds (distance) P-C4' energy: -119.640
flat angles C4'-P-C4' energy: -115.344
flat angles P-C4'-P energy: -66.035
tors. eta vs tors. theta energy: -126.229
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: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1218.994864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.994864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.994864 (E_RNA)
where:
Base-Base interactions energy: -716.374
where: short stacking energy: -367.673
Base-Backbone interact. energy: -4.501
local terms energy: -498.120045
where:
bonds (distance) C4'-P energy: -112.808
bonds (distance) P-C4' energy: -121.921
flat angles C4'-P-C4' energy: -117.183
flat angles P-C4'-P energy: -65.356
tors. eta vs tors. theta energy: -80.852
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: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1041.045037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.045037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.045037 (E_RNA)
where:
Base-Base interactions energy: -598.503
where: short stacking energy: -308.154
Base-Backbone interact. energy: -5.048
local terms energy: -437.494538
where:
bonds (distance) C4'-P energy: -103.338
bonds (distance) P-C4' energy: -138.583
flat angles C4'-P-C4' energy: -98.650
flat angles P-C4'-P energy: -76.149
tors. eta vs tors. theta energy: -20.775
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: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -775.230500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.230500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.230500 (E_RNA)
where:
Base-Base interactions energy: -397.984
where: short stacking energy: -217.204
Base-Backbone interact. energy: 7.461
local terms energy: -384.707548
where:
bonds (distance) C4'-P energy: -123.096
bonds (distance) P-C4' energy: -111.503
flat angles C4'-P-C4' energy: -98.965
flat angles P-C4'-P energy: -65.708
tors. eta vs tors. theta energy: 14.565
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: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2551.305518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.305518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.305518 (E_RNA)
where:
Base-Base interactions energy: -1762.402
where: short stacking energy: -719.612
Base-Backbone interact. energy: -3.432
local terms energy: -785.471513
where:
bonds (distance) C4'-P energy: -158.871
bonds (distance) P-C4' energy: -154.837
flat angles C4'-P-C4' energy: -163.260
flat angles P-C4'-P energy: -107.374
tors. eta vs tors. theta energy: -201.130
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: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2522.713451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.713451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.713451 (E_RNA)
where:
Base-Base interactions energy: -1753.348
where: short stacking energy: -736.667
Base-Backbone interact. energy: 1.254
local terms energy: -770.619256
where:
bonds (distance) C4'-P energy: -139.007
bonds (distance) P-C4' energy: -132.980
flat angles C4'-P-C4' energy: -173.144
flat angles P-C4'-P energy: -112.276
tors. eta vs tors. theta energy: -213.211
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: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2391.619099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.619099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.619099 (E_RNA)
where:
Base-Base interactions energy: -1679.741
where: short stacking energy: -689.731
Base-Backbone interact. energy: -4.906
local terms energy: -706.972001
where:
bonds (distance) C4'-P energy: -129.751
bonds (distance) P-C4' energy: -143.306
flat angles C4'-P-C4' energy: -148.999
flat angles P-C4'-P energy: -90.903
tors. eta vs tors. theta energy: -194.012
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: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2275.566880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.566880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.566880 (E_RNA)
where:
Base-Base interactions energy: -1552.094
where: short stacking energy: -681.971
Base-Backbone interact. energy: -0.752
local terms energy: -722.720817
where:
bonds (distance) C4'-P energy: -139.836
bonds (distance) P-C4' energy: -133.944
flat angles C4'-P-C4' energy: -154.770
flat angles P-C4'-P energy: -96.396
tors. eta vs tors. theta energy: -197.776
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: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2164.080679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.080679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.080679 (E_RNA)
where:
Base-Base interactions energy: -1477.513
where: short stacking energy: -652.437
Base-Backbone interact. energy: -7.062
local terms energy: -679.504984
where:
bonds (distance) C4'-P energy: -134.883
bonds (distance) P-C4' energy: -123.686
flat angles C4'-P-C4' energy: -154.182
flat angles P-C4'-P energy: -90.183
tors. eta vs tors. theta energy: -176.571
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: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2094.427920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.427920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.427920 (E_RNA)
where:
Base-Base interactions energy: -1412.936
where: short stacking energy: -581.371
Base-Backbone interact. energy: -0.862
local terms energy: -680.629792
where:
bonds (distance) C4'-P energy: -149.976
bonds (distance) P-C4' energy: -122.906
flat angles C4'-P-C4' energy: -150.691
flat angles P-C4'-P energy: -92.802
tors. eta vs tors. theta energy: -164.254
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: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1766.595942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.595942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.595942 (E_RNA)
where:
Base-Base interactions energy: -1183.539
where: short stacking energy: -507.860
Base-Backbone interact. energy: -2.781
local terms energy: -580.275711
where:
bonds (distance) C4'-P energy: -107.765
bonds (distance) P-C4' energy: -140.960
flat angles C4'-P-C4' energy: -133.662
flat angles P-C4'-P energy: -75.837
tors. eta vs tors. theta energy: -122.053
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: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1205.968400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.968400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.968400 (E_RNA)
where:
Base-Base interactions energy: -700.037
where: short stacking energy: -338.835
Base-Backbone interact. energy: 0.100
local terms energy: -506.031392
where:
bonds (distance) C4'-P energy: -130.496
bonds (distance) P-C4' energy: -136.036
flat angles C4'-P-C4' energy: -118.426
flat angles P-C4'-P energy: -64.014
tors. eta vs tors. theta energy: -57.060
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: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1046.929513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.929513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.929513 (E_RNA)
where:
Base-Base interactions energy: -597.186
where: short stacking energy: -291.742
Base-Backbone interact. energy: 2.528
local terms energy: -452.272223
where:
bonds (distance) C4'-P energy: -124.147
bonds (distance) P-C4' energy: -124.598
flat angles C4'-P-C4' energy: -116.543
flat angles P-C4'-P energy: -66.682
tors. eta vs tors. theta energy: -20.302
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: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -806.600822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.600822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.600822 (E_RNA)
where:
Base-Base interactions energy: -389.319
where: short stacking energy: -228.169
Base-Backbone interact. energy: -1.869
local terms energy: -415.412797
where:
bonds (distance) C4'-P energy: -122.496
bonds (distance) P-C4' energy: -111.998
flat angles C4'-P-C4' energy: -108.395
flat angles P-C4'-P energy: -64.157
tors. eta vs tors. theta energy: -8.367
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: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2566.264593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.264593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.264593 (E_RNA)
where:
Base-Base interactions energy: -1768.260
where: short stacking energy: -744.891
Base-Backbone interact. energy: -0.910
local terms energy: -797.094597
where:
bonds (distance) C4'-P energy: -157.021
bonds (distance) P-C4' energy: -151.094
flat angles C4'-P-C4' energy: -175.149
flat angles P-C4'-P energy: -103.092
tors. eta vs tors. theta energy: -210.738
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: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2521.820835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.820835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.820835 (E_RNA)
where:
Base-Base interactions energy: -1770.646
where: short stacking energy: -739.899
Base-Backbone interact. energy: -5.968
local terms energy: -745.206338
where:
bonds (distance) C4'-P energy: -133.562
bonds (distance) P-C4' energy: -155.637
flat angles C4'-P-C4' energy: -147.292
flat angles P-C4'-P energy: -95.092
tors. eta vs tors. theta energy: -213.623
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: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2408.731304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.731304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.731304 (E_RNA)
where:
Base-Base interactions energy: -1635.178
where: short stacking energy: -703.497
Base-Backbone interact. energy: -3.563
local terms energy: -769.990544
where:
bonds (distance) C4'-P energy: -129.940
bonds (distance) P-C4' energy: -153.397
flat angles C4'-P-C4' energy: -168.914
flat angles P-C4'-P energy: -111.792
tors. eta vs tors. theta energy: -205.947
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: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2227.579657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.579657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.579657 (E_RNA)
where:
Base-Base interactions energy: -1522.281
where: short stacking energy: -654.750
Base-Backbone interact. energy: -5.035
local terms energy: -700.263467
where:
bonds (distance) C4'-P energy: -139.004
bonds (distance) P-C4' energy: -134.751
flat angles C4'-P-C4' energy: -156.121
flat angles P-C4'-P energy: -85.174
tors. eta vs tors. theta energy: -185.213
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: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2188.542630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.542630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.542630 (E_RNA)
where:
Base-Base interactions energy: -1488.344
where: short stacking energy: -661.554
Base-Backbone interact. energy: 3.763
local terms energy: -703.961668
where:
bonds (distance) C4'-P energy: -130.691
bonds (distance) P-C4' energy: -122.228
flat angles C4'-P-C4' energy: -150.101
flat angles P-C4'-P energy: -97.552
tors. eta vs tors. theta energy: -203.390
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: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1973.737153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.737153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.737153 (E_RNA)
where:
Base-Base interactions energy: -1312.765
where: short stacking energy: -579.398
Base-Backbone interact. energy: -4.656
local terms energy: -656.315402
where:
bonds (distance) C4'-P energy: -122.514
bonds (distance) P-C4' energy: -127.546
flat angles C4'-P-C4' energy: -139.292
flat angles P-C4'-P energy: -108.651
tors. eta vs tors. theta energy: -158.312
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: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1714.658612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.658612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.658612 (E_RNA)
where:
Base-Base interactions energy: -1127.336
where: short stacking energy: -484.491
Base-Backbone interact. energy: -1.575
local terms energy: -585.746904
where:
bonds (distance) C4'-P energy: -144.153
bonds (distance) P-C4' energy: -136.827
flat angles C4'-P-C4' energy: -131.969
flat angles P-C4'-P energy: -77.648
tors. eta vs tors. theta energy: -95.151
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: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1219.559869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.559869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.559869 (E_RNA)
where:
Base-Base interactions energy: -712.845
where: short stacking energy: -321.649
Base-Backbone interact. energy: -4.576
local terms energy: -502.139313
where:
bonds (distance) C4'-P energy: -113.874
bonds (distance) P-C4' energy: -121.913
flat angles C4'-P-C4' energy: -133.213
flat angles P-C4'-P energy: -83.439
tors. eta vs tors. theta energy: -49.701
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: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1077.801529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.801529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.801529 (E_RNA)
where:
Base-Base interactions energy: -627.577
where: short stacking energy: -314.281
Base-Backbone interact. energy: 0.293
local terms energy: -450.517452
where:
bonds (distance) C4'-P energy: -116.222
bonds (distance) P-C4' energy: -121.108
flat angles C4'-P-C4' energy: -120.008
flat angles P-C4'-P energy: -49.474
tors. eta vs tors. theta energy: -43.706
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: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -857.761106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.761106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.761106 (E_RNA)
where:
Base-Base interactions energy: -463.661
where: short stacking energy: -239.219
Base-Backbone interact. energy: -1.546
local terms energy: -392.554914
where:
bonds (distance) C4'-P energy: -110.805
bonds (distance) P-C4' energy: -143.873
flat angles C4'-P-C4' energy: -92.325
flat angles P-C4'-P energy: -46.588
tors. eta vs tors. theta energy: 1.036
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: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2565.094157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.094157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.094157 (E_RNA)
where:
Base-Base interactions energy: -1796.252
where: short stacking energy: -752.606
Base-Backbone interact. energy: -1.393
local terms energy: -767.448574
where:
bonds (distance) C4'-P energy: -145.369
bonds (distance) P-C4' energy: -141.533
flat angles C4'-P-C4' energy: -161.217
flat angles P-C4'-P energy: -111.068
tors. eta vs tors. theta energy: -208.262
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: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2520.345609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.345609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.345609 (E_RNA)
where:
Base-Base interactions energy: -1784.851
where: short stacking energy: -742.326
Base-Backbone interact. energy: 0.816
local terms energy: -736.311024
where:
bonds (distance) C4'-P energy: -135.885
bonds (distance) P-C4' energy: -129.557
flat angles C4'-P-C4' energy: -159.233
flat angles P-C4'-P energy: -95.634
tors. eta vs tors. theta energy: -216.002
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: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2396.761755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.761755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.761755 (E_RNA)
where:
Base-Base interactions energy: -1658.098
where: short stacking energy: -703.733
Base-Backbone interact. energy: -0.903
local terms energy: -737.760441
where:
bonds (distance) C4'-P energy: -145.507
bonds (distance) P-C4' energy: -126.448
flat angles C4'-P-C4' energy: -158.382
flat angles P-C4'-P energy: -102.646
tors. eta vs tors. theta energy: -204.777
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: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2224.948674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.948674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.948674 (E_RNA)
where:
Base-Base interactions energy: -1498.825
where: short stacking energy: -681.943
Base-Backbone interact. energy: -4.327
local terms energy: -721.796571
where:
bonds (distance) C4'-P energy: -134.760
bonds (distance) P-C4' energy: -125.706
flat angles C4'-P-C4' energy: -154.417
flat angles P-C4'-P energy: -104.568
tors. eta vs tors. theta energy: -202.346
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: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2183.690270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.690270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.690270 (E_RNA)
where:
Base-Base interactions energy: -1511.004
where: short stacking energy: -667.406
Base-Backbone interact. energy: -1.629
local terms energy: -671.057923
where:
bonds (distance) C4'-P energy: -130.951
bonds (distance) P-C4' energy: -134.479
flat angles C4'-P-C4' energy: -157.091
flat angles P-C4'-P energy: -80.369
tors. eta vs tors. theta energy: -168.168
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: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2025.736478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.736478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.736478 (E_RNA)
where:
Base-Base interactions energy: -1358.589
where: short stacking energy: -592.542
Base-Backbone interact. energy: 1.110
local terms energy: -668.257201
where:
bonds (distance) C4'-P energy: -131.394
bonds (distance) P-C4' energy: -141.250
flat angles C4'-P-C4' energy: -138.105
flat angles P-C4'-P energy: -91.759
tors. eta vs tors. theta energy: -165.748
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: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1753.168374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.168374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.168374 (E_RNA)
where:
Base-Base interactions energy: -1182.878
where: short stacking energy: -510.199
Base-Backbone interact. energy: -2.898
local terms energy: -567.392400
where:
bonds (distance) C4'-P energy: -123.631
bonds (distance) P-C4' energy: -115.848
flat angles C4'-P-C4' energy: -135.243
flat angles P-C4'-P energy: -84.782
tors. eta vs tors. theta energy: -107.888
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: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1253.157369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.157369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.157369 (E_RNA)
where:
Base-Base interactions energy: -762.539
where: short stacking energy: -349.947
Base-Backbone interact. energy: 0.554
local terms energy: -491.172849
where:
bonds (distance) C4'-P energy: -119.026
bonds (distance) P-C4' energy: -145.160
flat angles C4'-P-C4' energy: -115.045
flat angles P-C4'-P energy: -60.574
tors. eta vs tors. theta energy: -51.367
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: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1041.668135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.668135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.668135 (E_RNA)
where:
Base-Base interactions energy: -593.939
where: short stacking energy: -307.183
Base-Backbone interact. energy: 1.851
local terms energy: -449.580257
where:
bonds (distance) C4'-P energy: -128.426
bonds (distance) P-C4' energy: -120.509
flat angles C4'-P-C4' energy: -109.787
flat angles P-C4'-P energy: -64.733
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: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -849.833005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.833005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.833005 (E_RNA)
where:
Base-Base interactions energy: -445.759
where: short stacking energy: -253.905
Base-Backbone interact. energy: 7.425
local terms energy: -411.499449
where:
bonds (distance) C4'-P energy: -123.470
bonds (distance) P-C4' energy: -135.954
flat angles C4'-P-C4' energy: -84.541
flat angles P-C4'-P energy: -56.413
tors. eta vs tors. theta energy: -11.121
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: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2611.525115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.525115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.525115 (E_RNA)
where:
Base-Base interactions energy: -1828.831
where: short stacking energy: -761.063
Base-Backbone interact. energy: -0.354
local terms energy: -782.340056
where:
bonds (distance) C4'-P energy: -147.576
bonds (distance) P-C4' energy: -146.798
flat angles C4'-P-C4' energy: -163.540
flat angles P-C4'-P energy: -98.947
tors. eta vs tors. theta energy: -225.479
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: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2484.703050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.703050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.703050 (E_RNA)
where:
Base-Base interactions energy: -1716.250
where: short stacking energy: -702.000
Base-Backbone interact. energy: -0.705
local terms energy: -767.748771
where:
bonds (distance) C4'-P energy: -140.000
bonds (distance) P-C4' energy: -133.173
flat angles C4'-P-C4' energy: -176.346
flat angles P-C4'-P energy: -118.890
tors. eta vs tors. theta energy: -199.340
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: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2409.548670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.548670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.548670 (E_RNA)
where:
Base-Base interactions energy: -1664.103
where: short stacking energy: -680.327
Base-Backbone interact. energy: -1.541
local terms energy: -743.905340
where:
bonds (distance) C4'-P energy: -152.301
bonds (distance) P-C4' energy: -136.154
flat angles C4'-P-C4' energy: -157.222
flat angles P-C4'-P energy: -100.277
tors. eta vs tors. theta energy: -197.950
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: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2207.314966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.314966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.314966 (E_RNA)
where:
Base-Base interactions energy: -1499.773
where: short stacking energy: -670.005
Base-Backbone interact. energy: -0.989
local terms energy: -706.553305
where:
bonds (distance) C4'-P energy: -126.467
bonds (distance) P-C4' energy: -136.476
flat angles C4'-P-C4' energy: -162.925
flat angles P-C4'-P energy: -88.986
tors. eta vs tors. theta energy: -191.698
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: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2104.116239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.116239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.116239 (E_RNA)
where:
Base-Base interactions energy: -1445.129
where: short stacking energy: -640.274
Base-Backbone interact. energy: -1.994
local terms energy: -656.993807
where:
bonds (distance) C4'-P energy: -121.776
bonds (distance) P-C4' energy: -113.013
flat angles C4'-P-C4' energy: -142.190
flat angles P-C4'-P energy: -97.519
tors. eta vs tors. theta energy: -182.496
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: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2003.362459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.362459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.362459 (E_RNA)
where:
Base-Base interactions energy: -1376.657
where: short stacking energy: -628.542
Base-Backbone interact. energy: -3.402
local terms energy: -623.302817
where:
bonds (distance) C4'-P energy: -120.534
bonds (distance) P-C4' energy: -128.131
flat angles C4'-P-C4' energy: -129.177
flat angles P-C4'-P energy: -95.050
tors. eta vs tors. theta energy: -150.411
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: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1733.177053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.177053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.177053 (E_RNA)
where:
Base-Base interactions energy: -1114.910
where: short stacking energy: -492.254
Base-Backbone interact. energy: 2.644
local terms energy: -620.910746
where:
bonds (distance) C4'-P energy: -132.477
bonds (distance) P-C4' energy: -131.205
flat angles C4'-P-C4' energy: -147.190
flat angles P-C4'-P energy: -93.540
tors. eta vs tors. theta energy: -116.499
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: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1229.362069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.362069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.362069 (E_RNA)
where:
Base-Base interactions energy: -758.412
where: short stacking energy: -344.546
Base-Backbone interact. energy: -1.388
local terms energy: -469.561380
where:
bonds (distance) C4'-P energy: -110.676
bonds (distance) P-C4' energy: -123.139
flat angles C4'-P-C4' energy: -120.939
flat angles P-C4'-P energy: -65.164
tors. eta vs tors. theta energy: -49.644
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: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1011.366172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.366172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.366172 (E_RNA)
where:
Base-Base interactions energy: -566.938
where: short stacking energy: -301.551
Base-Backbone interact. energy: 1.540
local terms energy: -445.967924
where:
bonds (distance) C4'-P energy: -120.262
bonds (distance) P-C4' energy: -128.932
flat angles C4'-P-C4' energy: -91.005
flat angles P-C4'-P energy: -77.488
tors. eta vs tors. theta energy: -28.281
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: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -810.208549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.208549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.208549 (E_RNA)
where:
Base-Base interactions energy: -428.208
where: short stacking energy: -234.274
Base-Backbone interact. energy: 1.632
local terms energy: -383.633377
where:
bonds (distance) C4'-P energy: -99.282
bonds (distance) P-C4' energy: -116.057
flat angles C4'-P-C4' energy: -88.176
flat angles P-C4'-P energy: -66.569
tors. eta vs tors. theta energy: -13.549
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: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2595.009465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.009465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.009465 (E_RNA)
where:
Base-Base interactions energy: -1829.263
where: short stacking energy: -756.898
Base-Backbone interact. energy: -1.488
local terms energy: -764.257791
where:
bonds (distance) C4'-P energy: -157.271
bonds (distance) P-C4' energy: -145.588
flat angles C4'-P-C4' energy: -155.355
flat angles P-C4'-P energy: -97.634
tors. eta vs tors. theta energy: -208.409
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: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2478.166905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.166905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.166905 (E_RNA)
where:
Base-Base interactions energy: -1690.476
where: short stacking energy: -720.871
Base-Backbone interact. energy: -8.803
local terms energy: -778.887398
where:
bonds (distance) C4'-P energy: -144.014
bonds (distance) P-C4' energy: -147.199
flat angles C4'-P-C4' energy: -166.470
flat angles P-C4'-P energy: -118.219
tors. eta vs tors. theta energy: -202.985
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: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2436.863452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.863452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.863452 (E_RNA)
where:
Base-Base interactions energy: -1693.169
where: short stacking energy: -688.664
Base-Backbone interact. energy: -0.181
local terms energy: -743.513005
where:
bonds (distance) C4'-P energy: -120.375
bonds (distance) P-C4' energy: -150.223
flat angles C4'-P-C4' energy: -162.720
flat angles P-C4'-P energy: -106.577
tors. eta vs tors. theta energy: -203.618
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: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2250.196264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.196264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.196264 (E_RNA)
where:
Base-Base interactions energy: -1530.591
where: short stacking energy: -646.575
Base-Backbone interact. energy: -3.782
local terms energy: -715.823224
where:
bonds (distance) C4'-P energy: -124.725
bonds (distance) P-C4' energy: -131.813
flat angles C4'-P-C4' energy: -147.311
flat angles P-C4'-P energy: -113.699
tors. eta vs tors. theta energy: -198.275
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: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2150.622441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.622441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.622441 (E_RNA)
where:
Base-Base interactions energy: -1493.895
where: short stacking energy: -632.140
Base-Backbone interact. energy: -3.056
local terms energy: -653.671167
where:
bonds (distance) C4'-P energy: -128.116
bonds (distance) P-C4' energy: -124.881
flat angles C4'-P-C4' energy: -142.174
flat angles P-C4'-P energy: -85.690
tors. eta vs tors. theta energy: -172.810
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: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1928.252782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.252782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.252782 (E_RNA)
where:
Base-Base interactions energy: -1299.351
where: short stacking energy: -554.036
Base-Backbone interact. energy: -4.867
local terms energy: -624.034467
where:
bonds (distance) C4'-P energy: -125.683
bonds (distance) P-C4' energy: -142.822
flat angles C4'-P-C4' energy: -127.908
flat angles P-C4'-P energy: -91.223
tors. eta vs tors. theta energy: -136.398
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: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1726.421156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.421156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.421156 (E_RNA)
where:
Base-Base interactions energy: -1135.596
where: short stacking energy: -495.502
Base-Backbone interact. energy: 5.232
local terms energy: -596.056702
where:
bonds (distance) C4'-P energy: -118.001
bonds (distance) P-C4' energy: -128.948
flat angles C4'-P-C4' energy: -144.413
flat angles P-C4'-P energy: -89.958
tors. eta vs tors. theta energy: -114.736
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: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1244.251765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.251765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.251765 (E_RNA)
where:
Base-Base interactions energy: -739.355
where: short stacking energy: -352.155
Base-Backbone interact. energy: -1.252
local terms energy: -503.645283
where:
bonds (distance) C4'-P energy: -128.180
bonds (distance) P-C4' energy: -127.010
flat angles C4'-P-C4' energy: -118.035
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -62.787
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: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1012.631705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.631705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.631705 (E_RNA)
where:
Base-Base interactions energy: -579.778
where: short stacking energy: -318.554
Base-Backbone interact. energy: 2.300
local terms energy: -435.153871
where:
bonds (distance) C4'-P energy: -110.048
bonds (distance) P-C4' energy: -120.157
flat angles C4'-P-C4' energy: -103.131
flat angles P-C4'-P energy: -69.023
tors. eta vs tors. theta energy: -32.795
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: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -857.332470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.332470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.332470 (E_RNA)
where:
Base-Base interactions energy: -458.528
where: short stacking energy: -277.026
Base-Backbone interact. energy: 5.767
local terms energy: -404.571270
where:
bonds (distance) C4'-P energy: -109.591
bonds (distance) P-C4' energy: -121.203
flat angles C4'-P-C4' energy: -101.573
flat angles P-C4'-P energy: -47.683
tors. eta vs tors. theta energy: -24.521
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: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2575.324670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.324670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.324670 (E_RNA)
where:
Base-Base interactions energy: -1797.436
where: short stacking energy: -729.924
Base-Backbone interact. energy: -2.458
local terms energy: -775.430158
where:
bonds (distance) C4'-P energy: -146.014
bonds (distance) P-C4' energy: -139.619
flat angles C4'-P-C4' energy: -162.316
flat angles P-C4'-P energy: -119.122
tors. eta vs tors. theta energy: -208.359
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: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2464.172022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.172022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.172022 (E_RNA)
where:
Base-Base interactions energy: -1707.561
where: short stacking energy: -700.407
Base-Backbone interact. energy: -0.724
local terms energy: -755.886363
where:
bonds (distance) C4'-P energy: -138.693
bonds (distance) P-C4' energy: -142.165
flat angles C4'-P-C4' energy: -149.415
flat angles P-C4'-P energy: -118.166
tors. eta vs tors. theta energy: -207.447
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: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2366.270996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.270996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.270996 (E_RNA)
where:
Base-Base interactions energy: -1635.468
where: short stacking energy: -692.372
Base-Backbone interact. energy: -3.271
local terms energy: -727.531610
where:
bonds (distance) C4'-P energy: -122.834
bonds (distance) P-C4' energy: -136.126
flat angles C4'-P-C4' energy: -158.165
flat angles P-C4'-P energy: -116.395
tors. eta vs tors. theta energy: -194.012
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: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2222.938015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.938015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.938015 (E_RNA)
where:
Base-Base interactions energy: -1489.454
where: short stacking energy: -655.228
Base-Backbone interact. energy: -1.088
local terms energy: -732.395698
where:
bonds (distance) C4'-P energy: -146.021
bonds (distance) P-C4' energy: -146.410
flat angles C4'-P-C4' energy: -151.927
flat angles P-C4'-P energy: -96.644
tors. eta vs tors. theta energy: -191.393
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: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2125.204694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.204694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.204694 (E_RNA)
where:
Base-Base interactions energy: -1442.965
where: short stacking energy: -611.373
Base-Backbone interact. energy: -1.529
local terms energy: -680.710241
where:
bonds (distance) C4'-P energy: -129.176
bonds (distance) P-C4' energy: -150.180
flat angles C4'-P-C4' energy: -147.483
flat angles P-C4'-P energy: -87.440
tors. eta vs tors. theta energy: -166.431
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: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1978.799284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.799284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.799284 (E_RNA)
where:
Base-Base interactions energy: -1354.757
where: short stacking energy: -566.224
Base-Backbone interact. energy: -5.060
local terms energy: -618.981789
where:
bonds (distance) C4'-P energy: -123.235
bonds (distance) P-C4' energy: -121.378
flat angles C4'-P-C4' energy: -143.953
flat angles P-C4'-P energy: -85.902
tors. eta vs tors. theta energy: -144.515
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: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1747.917420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.917420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.917420 (E_RNA)
where:
Base-Base interactions energy: -1164.136
where: short stacking energy: -510.746
Base-Backbone interact. energy: -3.667
local terms energy: -580.114399
where:
bonds (distance) C4'-P energy: -129.563
bonds (distance) P-C4' energy: -133.566
flat angles C4'-P-C4' energy: -134.707
flat angles P-C4'-P energy: -51.186
tors. eta vs tors. theta energy: -131.093
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: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1310.317496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.317496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.317496 (E_RNA)
where:
Base-Base interactions energy: -800.392
where: short stacking energy: -363.165
Base-Backbone interact. energy: -1.099
local terms energy: -508.826296
where:
bonds (distance) C4'-P energy: -135.910
bonds (distance) P-C4' energy: -124.991
flat angles C4'-P-C4' energy: -121.487
flat angles P-C4'-P energy: -72.146
tors. eta vs tors. theta energy: -54.292
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: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1020.506760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.506760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.506760 (E_RNA)
where:
Base-Base interactions energy: -567.092
where: short stacking energy: -295.611
Base-Backbone interact. energy: -3.836
local terms energy: -449.578862
where:
bonds (distance) C4'-P energy: -122.192
bonds (distance) P-C4' energy: -117.619
flat angles C4'-P-C4' energy: -127.193
flat angles P-C4'-P energy: -56.348
tors. eta vs tors. theta energy: -26.227
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: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -816.377045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.377045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.377045 (E_RNA)
where:
Base-Base interactions energy: -400.457
where: short stacking energy: -232.114
Base-Backbone interact. energy: -3.057
local terms energy: -412.863656
where:
bonds (distance) C4'-P energy: -115.206
bonds (distance) P-C4' energy: -125.130
flat angles C4'-P-C4' energy: -109.025
flat angles P-C4'-P energy: -69.537
tors. eta vs tors. theta energy: 6.035
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: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2567.105984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.105984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.105984 (E_RNA)
where:
Base-Base interactions energy: -1785.246
where: short stacking energy: -754.414
Base-Backbone interact. energy: -3.513
local terms energy: -778.346399
where:
bonds (distance) C4'-P energy: -140.071
bonds (distance) P-C4' energy: -154.857
flat angles C4'-P-C4' energy: -164.162
flat angles P-C4'-P energy: -105.648
tors. eta vs tors. theta energy: -213.609
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2458.944844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.944844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.944844 (E_RNA)
where:
Base-Base interactions energy: -1717.855
where: short stacking energy: -742.924
Base-Backbone interact. energy: 7.246
local terms energy: -748.335314
where:
bonds (distance) C4'-P energy: -146.916
bonds (distance) P-C4' energy: -136.663
flat angles C4'-P-C4' energy: -155.445
flat angles P-C4'-P energy: -109.477
tors. eta vs tors. theta energy: -199.834
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: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2391.744896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.744896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.744896 (E_RNA)
where:
Base-Base interactions energy: -1637.946
where: short stacking energy: -714.257
Base-Backbone interact. energy: -3.621
local terms energy: -750.178351
where:
bonds (distance) C4'-P energy: -143.800
bonds (distance) P-C4' energy: -129.526
flat angles C4'-P-C4' energy: -162.104
flat angles P-C4'-P energy: -108.772
tors. eta vs tors. theta energy: -205.976
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: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2229.922472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.922472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.922472 (E_RNA)
where:
Base-Base interactions energy: -1519.870
where: short stacking energy: -664.413
Base-Backbone interact. energy: 0.146
local terms energy: -710.198709
where:
bonds (distance) C4'-P energy: -147.191
bonds (distance) P-C4' energy: -133.697
flat angles C4'-P-C4' energy: -143.991
flat angles P-C4'-P energy: -94.501
tors. eta vs tors. theta energy: -190.819
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: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2142.147503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.147503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.147503 (E_RNA)
where:
Base-Base interactions energy: -1473.749
where: short stacking energy: -621.986
Base-Backbone interact. energy: -2.298
local terms energy: -666.101070
where:
bonds (distance) C4'-P energy: -130.561
bonds (distance) P-C4' energy: -126.762
flat angles C4'-P-C4' energy: -148.516
flat angles P-C4'-P energy: -89.215
tors. eta vs tors. theta energy: -171.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1960.091121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.091121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.091121 (E_RNA)
where:
Base-Base interactions energy: -1337.447
where: short stacking energy: -602.813
Base-Backbone interact. energy: -1.101
local terms energy: -621.543088
where:
bonds (distance) C4'-P energy: -100.027
bonds (distance) P-C4' energy: -129.465
flat angles C4'-P-C4' energy: -133.525
flat angles P-C4'-P energy: -92.026
tors. eta vs tors. theta energy: -166.501
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: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1722.439001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.439001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.439001 (E_RNA)
where:
Base-Base interactions energy: -1121.418
where: short stacking energy: -495.695
Base-Backbone interact. energy: 4.292
local terms energy: -605.313190
where:
bonds (distance) C4'-P energy: -140.709
bonds (distance) P-C4' energy: -134.301
flat angles C4'-P-C4' energy: -142.059
flat angles P-C4'-P energy: -71.242
tors. eta vs tors. theta energy: -117.003
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: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1260.643751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.643751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.643751 (E_RNA)
where:
Base-Base interactions energy: -778.062
where: short stacking energy: -393.543
Base-Backbone interact. energy: 0.049
local terms energy: -482.630285
where:
bonds (distance) C4'-P energy: -104.803
bonds (distance) P-C4' energy: -119.276
flat angles C4'-P-C4' energy: -108.024
flat angles P-C4'-P energy: -81.652
tors. eta vs tors. theta energy: -68.875
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: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1042.203725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.203725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.203725 (E_RNA)
where:
Base-Base interactions energy: -623.542
where: short stacking energy: -340.174
Base-Backbone interact. energy: 9.119
local terms energy: -427.780772
where:
bonds (distance) C4'-P energy: -103.276
bonds (distance) P-C4' energy: -117.184
flat angles C4'-P-C4' energy: -100.514
flat angles P-C4'-P energy: -69.857
tors. eta vs tors. theta energy: -36.950
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: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -782.310042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.310042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.310042 (E_RNA)
where:
Base-Base interactions energy: -390.440
where: short stacking energy: -227.643
Base-Backbone interact. energy: -1.742
local terms energy: -390.128037
where:
bonds (distance) C4'-P energy: -100.372
bonds (distance) P-C4' energy: -128.294
flat angles C4'-P-C4' energy: -98.431
flat angles P-C4'-P energy: -73.483
tors. eta vs tors. theta energy: 10.452
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: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2548.602961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.602961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.602961 (E_RNA)
where:
Base-Base interactions energy: -1792.087
where: short stacking energy: -756.562
Base-Backbone interact. energy: 1.964
local terms energy: -758.479879
where:
bonds (distance) C4'-P energy: -129.739
bonds (distance) P-C4' energy: -132.272
flat angles C4'-P-C4' energy: -175.815
flat angles P-C4'-P energy: -97.305
tors. eta vs tors. theta energy: -223.349
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: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2488.605455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.605455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.605455 (E_RNA)
where:
Base-Base interactions energy: -1736.066
where: short stacking energy: -717.409
Base-Backbone interact. energy: -1.990
local terms energy: -750.549622
where:
bonds (distance) C4'-P energy: -154.687
bonds (distance) P-C4' energy: -148.113
flat angles C4'-P-C4' energy: -164.615
flat angles P-C4'-P energy: -89.174
tors. eta vs tors. theta energy: -193.960
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: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2358.895903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.895903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.895903 (E_RNA)
where:
Base-Base interactions energy: -1601.941
where: short stacking energy: -688.773
Base-Backbone interact. energy: -2.180
local terms energy: -754.775063
where:
bonds (distance) C4'-P energy: -138.332
bonds (distance) P-C4' energy: -151.872
flat angles C4'-P-C4' energy: -162.727
flat angles P-C4'-P energy: -105.341
tors. eta vs tors. theta energy: -196.503
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: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2222.390806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.390806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.390806 (E_RNA)
where:
Base-Base interactions energy: -1530.745
where: short stacking energy: -662.080
Base-Backbone interact. energy: -2.309
local terms energy: -689.337543
where:
bonds (distance) C4'-P energy: -127.641
bonds (distance) P-C4' energy: -121.903
flat angles C4'-P-C4' energy: -137.743
flat angles P-C4'-P energy: -106.181
tors. eta vs tors. theta energy: -195.870
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: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2126.237981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.237981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.237981 (E_RNA)
where:
Base-Base interactions energy: -1439.522
where: short stacking energy: -613.058
Base-Backbone interact. energy: -4.859
local terms energy: -681.857202
where:
bonds (distance) C4'-P energy: -147.571
bonds (distance) P-C4' energy: -134.226
flat angles C4'-P-C4' energy: -144.863
flat angles P-C4'-P energy: -87.116
tors. eta vs tors. theta energy: -168.081
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: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1972.306798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.306798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.306798 (E_RNA)
where:
Base-Base interactions energy: -1317.185
where: short stacking energy: -578.676
Base-Backbone interact. energy: 1.136
local terms energy: -656.257786
where:
bonds (distance) C4'-P energy: -131.636
bonds (distance) P-C4' energy: -136.671
flat angles C4'-P-C4' energy: -145.794
flat angles P-C4'-P energy: -89.809
tors. eta vs tors. theta energy: -152.348
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1717.268612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.268612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.268612 (E_RNA)
where:
Base-Base interactions energy: -1119.643
where: short stacking energy: -504.326
Base-Backbone interact. energy: 4.143
local terms energy: -601.768138
where:
bonds (distance) C4'-P energy: -117.770
bonds (distance) P-C4' energy: -131.716
flat angles C4'-P-C4' energy: -137.035
flat angles P-C4'-P energy: -87.100
tors. eta vs tors. theta energy: -128.147
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: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1253.068464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.068464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.068464 (E_RNA)
where:
Base-Base interactions energy: -732.516
where: short stacking energy: -324.708
Base-Backbone interact. energy: 0.344
local terms energy: -520.895913
where:
bonds (distance) C4'-P energy: -138.112
bonds (distance) P-C4' energy: -140.357
flat angles C4'-P-C4' energy: -123.259
flat angles P-C4'-P energy: -75.203
tors. eta vs tors. theta energy: -43.965
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: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1101.088020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.088020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.088020 (E_RNA)
where:
Base-Base interactions energy: -588.205
where: short stacking energy: -302.324
Base-Backbone interact. energy: 1.454
local terms energy: -514.337164
where:
bonds (distance) C4'-P energy: -122.739
bonds (distance) P-C4' energy: -135.852
flat angles C4'-P-C4' energy: -132.101
flat angles P-C4'-P energy: -79.861
tors. eta vs tors. theta energy: -43.785
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: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -788.397603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.397603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.397603 (E_RNA)
where:
Base-Base interactions energy: -361.133
where: short stacking energy: -211.449
Base-Backbone interact. energy: -0.696
local terms energy: -426.568608
where:
bonds (distance) C4'-P energy: -127.446
bonds (distance) P-C4' energy: -133.809
flat angles C4'-P-C4' energy: -105.548
flat angles P-C4'-P energy: -67.844
tors. eta vs tors. theta energy: 8.079
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: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2574.053912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.053912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.053912 (E_RNA)
where:
Base-Base interactions energy: -1779.204
where: short stacking energy: -738.212
Base-Backbone interact. energy: 0.914
local terms energy: -795.763206
where:
bonds (distance) C4'-P energy: -144.416
bonds (distance) P-C4' energy: -148.349
flat angles C4'-P-C4' energy: -170.792
flat angles P-C4'-P energy: -113.916
tors. eta vs tors. theta energy: -218.290
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: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2501.796638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.796638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.796638 (E_RNA)
where:
Base-Base interactions energy: -1711.371
where: short stacking energy: -728.914
Base-Backbone interact. energy: -6.076
local terms energy: -784.350153
where:
bonds (distance) C4'-P energy: -138.532
bonds (distance) P-C4' energy: -149.070
flat angles C4'-P-C4' energy: -176.330
flat angles P-C4'-P energy: -113.476
tors. eta vs tors. theta energy: -206.942
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2373.432231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.432231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.432231 (E_RNA)
where:
Base-Base interactions energy: -1618.111
where: short stacking energy: -683.087
Base-Backbone interact. energy: -3.937
local terms energy: -751.383618
where:
bonds (distance) C4'-P energy: -142.184
bonds (distance) P-C4' energy: -137.843
flat angles C4'-P-C4' energy: -163.617
flat angles P-C4'-P energy: -114.225
tors. eta vs tors. theta energy: -193.515
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: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2259.567949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.567949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.567949 (E_RNA)
where:
Base-Base interactions energy: -1522.578
where: short stacking energy: -675.308
Base-Backbone interact. energy: -1.392
local terms energy: -735.597964
where:
bonds (distance) C4'-P energy: -127.592
bonds (distance) P-C4' energy: -132.977
flat angles C4'-P-C4' energy: -165.597
flat angles P-C4'-P energy: -102.660
tors. eta vs tors. theta energy: -206.771
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: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2129.841154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.841154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.841154 (E_RNA)
where:
Base-Base interactions energy: -1474.001
where: short stacking energy: -618.742
Base-Backbone interact. energy: -1.354
local terms energy: -654.485453
where:
bonds (distance) C4'-P energy: -118.973
bonds (distance) P-C4' energy: -123.074
flat angles C4'-P-C4' energy: -145.206
flat angles P-C4'-P energy: -101.965
tors. eta vs tors. theta energy: -165.267
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: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2044.175393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.175393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.175393 (E_RNA)
where:
Base-Base interactions energy: -1388.439
where: short stacking energy: -622.848
Base-Backbone interact. energy: 2.568
local terms energy: -658.304472
where:
bonds (distance) C4'-P energy: -124.343
bonds (distance) P-C4' energy: -137.346
flat angles C4'-P-C4' energy: -138.813
flat angles P-C4'-P energy: -84.653
tors. eta vs tors. theta energy: -173.149
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: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1667.508377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.508377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.508377 (E_RNA)
where:
Base-Base interactions energy: -1110.303
where: short stacking energy: -483.062
Base-Backbone interact. energy: -3.081
local terms energy: -554.124861
where:
bonds (distance) C4'-P energy: -122.561
bonds (distance) P-C4' energy: -111.468
flat angles C4'-P-C4' energy: -149.451
flat angles P-C4'-P energy: -57.469
tors. eta vs tors. theta energy: -113.176
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: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1272.173855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.173855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.173855 (E_RNA)
where:
Base-Base interactions energy: -771.296
where: short stacking energy: -352.280
Base-Backbone interact. energy: 2.846
local terms energy: -503.723424
where:
bonds (distance) C4'-P energy: -112.050
bonds (distance) P-C4' energy: -125.620
flat angles C4'-P-C4' energy: -119.164
flat angles P-C4'-P energy: -81.096
tors. eta vs tors. theta energy: -65.793
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: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1014.493291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.493291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.493291 (E_RNA)
where:
Base-Base interactions energy: -549.183
where: short stacking energy: -271.644
Base-Backbone interact. energy: 3.076
local terms energy: -468.385997
where:
bonds (distance) C4'-P energy: -105.388
bonds (distance) P-C4' energy: -123.972
flat angles C4'-P-C4' energy: -138.995
flat angles P-C4'-P energy: -69.565
tors. eta vs tors. theta energy: -30.466
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: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -803.060458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.060458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.060458 (E_RNA)
where:
Base-Base interactions energy: -396.214
where: short stacking energy: -205.741
Base-Backbone interact. energy: 2.826
local terms energy: -409.672503
where:
bonds (distance) C4'-P energy: -119.138
bonds (distance) P-C4' energy: -121.506
flat angles C4'-P-C4' energy: -105.628
flat angles P-C4'-P energy: -72.824
tors. eta vs tors. theta energy: 9.424
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: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2603.245380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.245380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.245380 (E_RNA)
where:
Base-Base interactions energy: -1801.807
where: short stacking energy: -752.502
Base-Backbone interact. energy: 0.658
local terms energy: -802.096602
where:
bonds (distance) C4'-P energy: -153.612
bonds (distance) P-C4' energy: -141.677
flat angles C4'-P-C4' energy: -176.907
flat angles P-C4'-P energy: -116.627
tors. eta vs tors. theta energy: -213.274
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: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2443.635785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.635785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.635785 (E_RNA)
where:
Base-Base interactions energy: -1698.953
where: short stacking energy: -701.963
Base-Backbone interact. energy: -2.709
local terms energy: -741.973206
where:
bonds (distance) C4'-P energy: -143.246
bonds (distance) P-C4' energy: -146.758
flat angles C4'-P-C4' energy: -150.409
flat angles P-C4'-P energy: -105.239
tors. eta vs tors. theta energy: -196.321
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: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2289.627003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.627003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.627003 (E_RNA)
where:
Base-Base interactions energy: -1550.426
where: short stacking energy: -691.714
Base-Backbone interact. energy: -2.822
local terms energy: -736.379053
where:
bonds (distance) C4'-P energy: -128.647
bonds (distance) P-C4' energy: -138.667
flat angles C4'-P-C4' energy: -150.944
flat angles P-C4'-P energy: -112.938
tors. eta vs tors. theta energy: -205.184
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: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2278.271245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.271245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.271245 (E_RNA)
where:
Base-Base interactions energy: -1569.278
where: short stacking energy: -647.995
Base-Backbone interact. energy: -1.090
local terms energy: -707.904144
where:
bonds (distance) C4'-P energy: -130.511
bonds (distance) P-C4' energy: -131.062
flat angles C4'-P-C4' energy: -146.548
flat angles P-C4'-P energy: -109.945
tors. eta vs tors. theta energy: -189.838
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: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2139.755693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.755693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.755693 (E_RNA)
where:
Base-Base interactions energy: -1449.223
where: short stacking energy: -607.901
Base-Backbone interact. energy: -4.383
local terms energy: -686.150628
where:
bonds (distance) C4'-P energy: -136.948
bonds (distance) P-C4' energy: -139.866
flat angles C4'-P-C4' energy: -149.133
flat angles P-C4'-P energy: -101.797
tors. eta vs tors. theta energy: -158.408
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: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2041.811105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.811105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.811105 (E_RNA)
where:
Base-Base interactions energy: -1398.596
where: short stacking energy: -605.323
Base-Backbone interact. energy: -2.463
local terms energy: -640.752393
where:
bonds (distance) C4'-P energy: -119.246
bonds (distance) P-C4' energy: -128.207
flat angles C4'-P-C4' energy: -140.375
flat angles P-C4'-P energy: -89.958
tors. eta vs tors. theta energy: -162.966
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: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1740.348395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.348395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.348395 (E_RNA)
where:
Base-Base interactions energy: -1175.010
where: short stacking energy: -534.059
Base-Backbone interact. energy: -4.717
local terms energy: -560.621884
where:
bonds (distance) C4'-P energy: -115.626
bonds (distance) P-C4' energy: -106.179
flat angles C4'-P-C4' energy: -132.278
flat angles P-C4'-P energy: -88.552
tors. eta vs tors. theta energy: -117.988
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: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1246.028653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.028653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.028653 (E_RNA)
where:
Base-Base interactions energy: -752.705
where: short stacking energy: -356.533
Base-Backbone interact. energy: 4.037
local terms energy: -497.360117
where:
bonds (distance) C4'-P energy: -94.120
bonds (distance) P-C4' energy: -142.266
flat angles C4'-P-C4' energy: -129.265
flat angles P-C4'-P energy: -78.676
tors. eta vs tors. theta energy: -53.034
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: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1063.754032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.754032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.754032 (E_RNA)
where:
Base-Base interactions energy: -615.431
where: short stacking energy: -318.898
Base-Backbone interact. energy: 1.267
local terms energy: -449.590216
where:
bonds (distance) C4'-P energy: -122.849
bonds (distance) P-C4' energy: -124.501
flat angles C4'-P-C4' energy: -103.948
flat angles P-C4'-P energy: -73.829
tors. eta vs tors. theta energy: -24.464
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: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -895.092312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.092312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.092312 (E_RNA)
where:
Base-Base interactions energy: -481.747
where: short stacking energy: -245.034
Base-Backbone interact. energy: -4.152
local terms energy: -409.193435
where:
bonds (distance) C4'-P energy: -108.767
bonds (distance) P-C4' energy: -124.809
flat angles C4'-P-C4' energy: -135.724
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: 0.769
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: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2605.134761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.134761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.134761 (E_RNA)
where:
Base-Base interactions energy: -1800.585
where: short stacking energy: -777.903
Base-Backbone interact. energy: -2.256
local terms energy: -802.293936
where:
bonds (distance) C4'-P energy: -153.594
bonds (distance) P-C4' energy: -150.185
flat angles C4'-P-C4' energy: -169.007
flat angles P-C4'-P energy: -112.596
tors. eta vs tors. theta energy: -216.912
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: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2444.876691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.876691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.876691 (E_RNA)
where:
Base-Base interactions energy: -1695.558
where: short stacking energy: -716.528
Base-Backbone interact. energy: -2.881
local terms energy: -746.438527
where:
bonds (distance) C4'-P energy: -139.839
bonds (distance) P-C4' energy: -127.416
flat angles C4'-P-C4' energy: -161.579
flat angles P-C4'-P energy: -112.323
tors. eta vs tors. theta energy: -205.282
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: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2303.348606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.348606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.348606 (E_RNA)
where:
Base-Base interactions energy: -1570.574
where: short stacking energy: -720.807
Base-Backbone interact. energy: -0.763
local terms energy: -732.011355
where:
bonds (distance) C4'-P energy: -127.908
bonds (distance) P-C4' energy: -131.960
flat angles C4'-P-C4' energy: -156.697
flat angles P-C4'-P energy: -97.244
tors. eta vs tors. theta energy: -218.203
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: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2252.175549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.175549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.175549 (E_RNA)
where:
Base-Base interactions energy: -1532.783
where: short stacking energy: -639.437
Base-Backbone interact. energy: -1.835
local terms energy: -717.556995
where:
bonds (distance) C4'-P energy: -139.500
bonds (distance) P-C4' energy: -126.474
flat angles C4'-P-C4' energy: -155.937
flat angles P-C4'-P energy: -102.546
tors. eta vs tors. theta energy: -193.100
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: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2122.592552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.592552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.592552 (E_RNA)
where:
Base-Base interactions energy: -1444.395
where: short stacking energy: -641.460
Base-Backbone interact. energy: -3.313
local terms energy: -674.884600
where:
bonds (distance) C4'-P energy: -117.837
bonds (distance) P-C4' energy: -125.260
flat angles C4'-P-C4' energy: -153.004
flat angles P-C4'-P energy: -105.727
tors. eta vs tors. theta energy: -173.057
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: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2031.247064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.247064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.247064 (E_RNA)
where:
Base-Base interactions energy: -1383.417
where: short stacking energy: -591.608
Base-Backbone interact. energy: 1.144
local terms energy: -648.974049
where:
bonds (distance) C4'-P energy: -127.306
bonds (distance) P-C4' energy: -140.117
flat angles C4'-P-C4' energy: -138.687
flat angles P-C4'-P energy: -91.050
tors. eta vs tors. theta energy: -151.813
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: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1688.948571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.948571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.948571 (E_RNA)
where:
Base-Base interactions energy: -1079.842
where: short stacking energy: -495.931
Base-Backbone interact. energy: -2.901
local terms energy: -606.205407
where:
bonds (distance) C4'-P energy: -132.116
bonds (distance) P-C4' energy: -132.245
flat angles C4'-P-C4' energy: -150.622
flat angles P-C4'-P energy: -79.173
tors. eta vs tors. theta energy: -112.048
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: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1224.268717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.268717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.268717 (E_RNA)
where:
Base-Base interactions energy: -720.122
where: short stacking energy: -336.162
Base-Backbone interact. energy: -4.128
local terms energy: -500.018877
where:
bonds (distance) C4'-P energy: -123.652
bonds (distance) P-C4' energy: -121.158
flat angles C4'-P-C4' energy: -132.893
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -46.177
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: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1083.020385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.020385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.020385 (E_RNA)
where:
Base-Base interactions energy: -658.593
where: short stacking energy: -339.787
Base-Backbone interact. energy: -0.193
local terms energy: -424.233921
where:
bonds (distance) C4'-P energy: -104.845
bonds (distance) P-C4' energy: -103.257
flat angles C4'-P-C4' energy: -109.050
flat angles P-C4'-P energy: -51.795
tors. eta vs tors. theta energy: -55.288
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: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -892.136253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.136253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.136253 (E_RNA)
where:
Base-Base interactions energy: -476.699
where: short stacking energy: -234.210
Base-Backbone interact. energy: 3.398
local terms energy: -418.835329
where:
bonds (distance) C4'-P energy: -116.526
bonds (distance) P-C4' energy: -128.266
flat angles C4'-P-C4' energy: -96.466
flat angles P-C4'-P energy: -58.520
tors. eta vs tors. theta energy: -19.057
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: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2592.232696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.232696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.232696 (E_RNA)
where:
Base-Base interactions energy: -1817.273
where: short stacking energy: -734.177
Base-Backbone interact. energy: -0.176
local terms energy: -774.783491
where:
bonds (distance) C4'-P energy: -133.865
bonds (distance) P-C4' energy: -147.276
flat angles C4'-P-C4' energy: -167.132
flat angles P-C4'-P energy: -104.991
tors. eta vs tors. theta energy: -221.519
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: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2492.017570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.017570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.017570 (E_RNA)
where:
Base-Base interactions energy: -1739.836
where: short stacking energy: -736.640
Base-Backbone interact. energy: -6.672
local terms energy: -745.509087
where:
bonds (distance) C4'-P energy: -137.295
bonds (distance) P-C4' energy: -127.336
flat angles C4'-P-C4' energy: -158.370
flat angles P-C4'-P energy: -113.610
tors. eta vs tors. theta energy: -208.898
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: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2305.808943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.808943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.808943 (E_RNA)
where:
Base-Base interactions energy: -1565.875
where: short stacking energy: -707.538
Base-Backbone interact. energy: -4.694
local terms energy: -735.239078
where:
bonds (distance) C4'-P energy: -134.908
bonds (distance) P-C4' energy: -137.084
flat angles C4'-P-C4' energy: -158.749
flat angles P-C4'-P energy: -96.654
tors. eta vs tors. theta energy: -207.844
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: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2294.862581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.862581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.862581 (E_RNA)
where:
Base-Base interactions energy: -1555.512
where: short stacking energy: -664.002
Base-Backbone interact. energy: -3.988
local terms energy: -735.362113
where:
bonds (distance) C4'-P energy: -132.747
bonds (distance) P-C4' energy: -143.385
flat angles C4'-P-C4' energy: -156.727
flat angles P-C4'-P energy: -106.360
tors. eta vs tors. theta energy: -196.144
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: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2118.403779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.403779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.403779 (E_RNA)
where:
Base-Base interactions energy: -1430.699
where: short stacking energy: -598.117
Base-Backbone interact. energy: -1.847
local terms energy: -685.857510
where:
bonds (distance) C4'-P energy: -120.365
bonds (distance) P-C4' energy: -137.337
flat angles C4'-P-C4' energy: -154.685
flat angles P-C4'-P energy: -104.930
tors. eta vs tors. theta energy: -168.541
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: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1933.178817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.178817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.178817 (E_RNA)
where:
Base-Base interactions energy: -1290.717
where: short stacking energy: -598.571
Base-Backbone interact. energy: -1.806
local terms energy: -640.655700
where:
bonds (distance) C4'-P energy: -123.777
bonds (distance) P-C4' energy: -137.771
flat angles C4'-P-C4' energy: -139.332
flat angles P-C4'-P energy: -77.342
tors. eta vs tors. theta energy: -162.433
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: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1678.030372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.030372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.030372 (E_RNA)
where:
Base-Base interactions energy: -1084.321
where: short stacking energy: -501.662
Base-Backbone interact. energy: -1.564
local terms energy: -592.145629
where:
bonds (distance) C4'-P energy: -106.220
bonds (distance) P-C4' energy: -135.539
flat angles C4'-P-C4' energy: -140.813
flat angles P-C4'-P energy: -92.706
tors. eta vs tors. theta energy: -116.867
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: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1230.200459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.200459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.200459 (E_RNA)
where:
Base-Base interactions energy: -737.851
where: short stacking energy: -350.239
Base-Backbone interact. energy: -3.838
local terms energy: -488.510889
where:
bonds (distance) C4'-P energy: -109.038
bonds (distance) P-C4' energy: -117.406
flat angles C4'-P-C4' energy: -115.972
flat angles P-C4'-P energy: -84.666
tors. eta vs tors. theta energy: -61.429
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: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1076.419213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.419213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.419213 (E_RNA)
where:
Base-Base interactions energy: -612.871
where: short stacking energy: -314.869
Base-Backbone interact. energy: -2.162
local terms energy: -461.385866
where:
bonds (distance) C4'-P energy: -103.327
bonds (distance) P-C4' energy: -140.393
flat angles C4'-P-C4' energy: -111.688
flat angles P-C4'-P energy: -57.395
tors. eta vs tors. theta energy: -48.583
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: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -869.578618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.578618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.578618 (E_RNA)
where:
Base-Base interactions energy: -508.928
where: short stacking energy: -242.877
Base-Backbone interact. energy: 11.347
local terms energy: -371.997254
where:
bonds (distance) C4'-P energy: -114.008
bonds (distance) P-C4' energy: -116.842
flat angles C4'-P-C4' energy: -85.070
flat angles P-C4'-P energy: -51.676
tors. eta vs tors. theta energy: -4.400
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: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2565.696259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.696259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.696259 (E_RNA)
where:
Base-Base interactions energy: -1784.541
where: short stacking energy: -738.018
Base-Backbone interact. energy: -4.780
local terms energy: -776.375484
where:
bonds (distance) C4'-P energy: -133.469
bonds (distance) P-C4' energy: -149.865
flat angles C4'-P-C4' energy: -163.832
flat angles P-C4'-P energy: -120.302
tors. eta vs tors. theta energy: -208.908
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: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2471.036909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.036909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.036909 (E_RNA)
where:
Base-Base interactions energy: -1708.606
where: short stacking energy: -708.823
Base-Backbone interact. energy: -3.375
local terms energy: -759.055664
where:
bonds (distance) C4'-P energy: -141.250
bonds (distance) P-C4' energy: -136.334
flat angles C4'-P-C4' energy: -162.498
flat angles P-C4'-P energy: -116.849
tors. eta vs tors. theta energy: -202.126
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: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2357.158044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.158044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.158044 (E_RNA)
where:
Base-Base interactions energy: -1595.693
where: short stacking energy: -712.272
Base-Backbone interact. energy: -0.485
local terms energy: -760.980586
where:
bonds (distance) C4'-P energy: -135.807
bonds (distance) P-C4' energy: -127.688
flat angles C4'-P-C4' energy: -165.059
flat angles P-C4'-P energy: -116.635
tors. eta vs tors. theta energy: -215.792
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: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2262.399054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.399054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.399054 (E_RNA)
where:
Base-Base interactions energy: -1558.218
where: short stacking energy: -668.240
Base-Backbone interact. energy: 1.323
local terms energy: -705.504144
where:
bonds (distance) C4'-P energy: -128.278
bonds (distance) P-C4' energy: -134.902
flat angles C4'-P-C4' energy: -156.464
flat angles P-C4'-P energy: -90.847
tors. eta vs tors. theta energy: -195.014
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: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2158.377740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.377740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.377740 (E_RNA)
where:
Base-Base interactions energy: -1452.043
where: short stacking energy: -620.582
Base-Backbone interact. energy: -1.819
local terms energy: -704.515232
where:
bonds (distance) C4'-P energy: -124.806
bonds (distance) P-C4' energy: -135.677
flat angles C4'-P-C4' energy: -151.019
flat angles P-C4'-P energy: -109.101
tors. eta vs tors. theta energy: -183.912
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: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1999.329899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.329899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.329899 (E_RNA)
where:
Base-Base interactions energy: -1343.756
where: short stacking energy: -599.495
Base-Backbone interact. energy: -1.723
local terms energy: -653.850435
where:
bonds (distance) C4'-P energy: -138.403
bonds (distance) P-C4' energy: -129.173
flat angles C4'-P-C4' energy: -152.021
flat angles P-C4'-P energy: -76.415
tors. eta vs tors. theta energy: -157.839
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: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1635.360271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.360271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.360271 (E_RNA)
where:
Base-Base interactions energy: -1055.819
where: short stacking energy: -460.526
Base-Backbone interact. energy: -1.103
local terms energy: -578.438477
where:
bonds (distance) C4'-P energy: -124.655
bonds (distance) P-C4' energy: -140.228
flat angles C4'-P-C4' energy: -126.829
flat angles P-C4'-P energy: -82.967
tors. eta vs tors. theta energy: -103.759
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: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1235.245043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.245043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.245043 (E_RNA)
where:
Base-Base interactions energy: -732.998
where: short stacking energy: -364.717
Base-Backbone interact. energy: -1.654
local terms energy: -500.592998
where:
bonds (distance) C4'-P energy: -116.390
bonds (distance) P-C4' energy: -127.150
flat angles C4'-P-C4' energy: -129.859
flat angles P-C4'-P energy: -78.974
tors. eta vs tors. theta energy: -48.220
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: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1084.212924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.212924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.212924 (E_RNA)
where:
Base-Base interactions energy: -632.424
where: short stacking energy: -320.098
Base-Backbone interact. energy: 2.307
local terms energy: -454.096330
where:
bonds (distance) C4'-P energy: -117.737
bonds (distance) P-C4' energy: -119.099
flat angles C4'-P-C4' energy: -116.592
flat angles P-C4'-P energy: -55.116
tors. eta vs tors. theta energy: -45.552
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: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -852.202552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.202552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.202552 (E_RNA)
where:
Base-Base interactions energy: -447.829
where: short stacking energy: -257.179
Base-Backbone interact. energy: 12.110
local terms energy: -416.484078
where:
bonds (distance) C4'-P energy: -111.366
bonds (distance) P-C4' energy: -113.380
flat angles C4'-P-C4' energy: -122.431
flat angles P-C4'-P energy: -59.931
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_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: 174
Temperature: 0.900000
Total energy: -2571.584760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.584760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.584760 (E_RNA)
where:
Base-Base interactions energy: -1793.168
where: short stacking energy: -766.567
Base-Backbone interact. energy: -2.766
local terms energy: -775.649764
where:
bonds (distance) C4'-P energy: -138.428
bonds (distance) P-C4' energy: -134.154
flat angles C4'-P-C4' energy: -170.920
flat angles P-C4'-P energy: -105.813
tors. eta vs tors. theta energy: -226.334
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: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2470.786079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.786079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.786079 (E_RNA)
where:
Base-Base interactions energy: -1701.078
where: short stacking energy: -698.626
Base-Backbone interact. energy: -6.833
local terms energy: -762.874401
where:
bonds (distance) C4'-P energy: -138.794
bonds (distance) P-C4' energy: -159.229
flat angles C4'-P-C4' energy: -166.266
flat angles P-C4'-P energy: -103.075
tors. eta vs tors. theta energy: -195.511
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: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2364.453701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.453701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.453701 (E_RNA)
where:
Base-Base interactions energy: -1600.063
where: short stacking energy: -744.013
Base-Backbone interact. energy: -1.509
local terms energy: -762.881498
where:
bonds (distance) C4'-P energy: -130.418
bonds (distance) P-C4' energy: -140.027
flat angles C4'-P-C4' energy: -159.800
flat angles P-C4'-P energy: -112.665
tors. eta vs tors. theta energy: -219.971
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: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2241.467599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.467599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.467599 (E_RNA)
where:
Base-Base interactions energy: -1539.757
where: short stacking energy: -664.164
Base-Backbone interact. energy: -0.887
local terms energy: -700.823595
where:
bonds (distance) C4'-P energy: -132.507
bonds (distance) P-C4' energy: -141.284
flat angles C4'-P-C4' energy: -147.908
flat angles P-C4'-P energy: -90.858
tors. eta vs tors. theta energy: -188.267
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: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2168.142068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.142068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.142068 (E_RNA)
where:
Base-Base interactions energy: -1467.031
where: short stacking energy: -656.703
Base-Backbone interact. energy: -2.128
local terms energy: -698.982531
where:
bonds (distance) C4'-P energy: -132.939
bonds (distance) P-C4' energy: -123.230
flat angles C4'-P-C4' energy: -170.164
flat angles P-C4'-P energy: -90.042
tors. eta vs tors. theta energy: -182.608
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: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1981.140473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.140473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.140473 (E_RNA)
where:
Base-Base interactions energy: -1338.337
where: short stacking energy: -616.378
Base-Backbone interact. energy: -2.736
local terms energy: -640.068242
where:
bonds (distance) C4'-P energy: -126.948
bonds (distance) P-C4' energy: -112.997
flat angles C4'-P-C4' energy: -143.769
flat angles P-C4'-P energy: -88.393
tors. eta vs tors. theta energy: -167.962
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: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1635.788992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.788992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.788992 (E_RNA)
where:
Base-Base interactions energy: -1074.859
where: short stacking energy: -465.940
Base-Backbone interact. energy: -2.933
local terms energy: -557.996477
where:
bonds (distance) C4'-P energy: -127.157
bonds (distance) P-C4' energy: -116.106
flat angles C4'-P-C4' energy: -138.075
flat angles P-C4'-P energy: -78.566
tors. eta vs tors. theta energy: -98.093
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: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1269.051254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.051254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.051254 (E_RNA)
where:
Base-Base interactions energy: -751.307
where: short stacking energy: -353.769
Base-Backbone interact. energy: 2.800
local terms energy: -520.543728
where:
bonds (distance) C4'-P energy: -129.488
bonds (distance) P-C4' energy: -129.550
flat angles C4'-P-C4' energy: -147.397
flat angles P-C4'-P energy: -63.291
tors. eta vs tors. theta energy: -50.819
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: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1134.140357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.140357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.140357 (E_RNA)
where:
Base-Base interactions energy: -680.829
where: short stacking energy: -344.987
Base-Backbone interact. energy: 0.419
local terms energy: -453.730135
where:
bonds (distance) C4'-P energy: -101.121
bonds (distance) P-C4' energy: -119.180
flat angles C4'-P-C4' energy: -119.176
flat angles P-C4'-P energy: -55.721
tors. eta vs tors. theta energy: -58.532
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: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -819.682414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.682414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.682414 (E_RNA)
where:
Base-Base interactions energy: -446.049
where: short stacking energy: -242.195
Base-Backbone interact. energy: -2.345
local terms energy: -371.288481
where:
bonds (distance) C4'-P energy: -86.861
bonds (distance) P-C4' energy: -114.747
flat angles C4'-P-C4' energy: -85.662
flat angles P-C4'-P energy: -61.322
tors. eta vs tors. theta energy: -22.695
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: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2563.663795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.663795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.663795 (E_RNA)
where:
Base-Base interactions energy: -1784.509
where: short stacking energy: -732.571
Base-Backbone interact. energy: -2.291
local terms energy: -776.863975
where:
bonds (distance) C4'-P energy: -148.918
bonds (distance) P-C4' energy: -146.076
flat angles C4'-P-C4' energy: -162.451
flat angles P-C4'-P energy: -101.215
tors. eta vs tors. theta energy: -218.204
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: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2474.729004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.729004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.729004 (E_RNA)
where:
Base-Base interactions energy: -1695.480
where: short stacking energy: -727.705
Base-Backbone interact. energy: -4.057
local terms energy: -775.192136
where:
bonds (distance) C4'-P energy: -141.862
bonds (distance) P-C4' energy: -147.858
flat angles C4'-P-C4' energy: -170.779
flat angles P-C4'-P energy: -118.079
tors. eta vs tors. theta energy: -196.614
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: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2346.787144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.787144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.787144 (E_RNA)
where:
Base-Base interactions energy: -1583.684
where: short stacking energy: -715.466
Base-Backbone interact. energy: 3.202
local terms energy: -766.304921
where:
bonds (distance) C4'-P energy: -117.958
bonds (distance) P-C4' energy: -138.898
flat angles C4'-P-C4' energy: -168.947
flat angles P-C4'-P energy: -123.495
tors. eta vs tors. theta energy: -217.008
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: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2258.839019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.839019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.839019 (E_RNA)
where:
Base-Base interactions energy: -1538.481
where: short stacking energy: -662.811
Base-Backbone interact. energy: -4.988
local terms energy: -715.370286
where:
bonds (distance) C4'-P energy: -127.460
bonds (distance) P-C4' energy: -137.524
flat angles C4'-P-C4' energy: -163.167
flat angles P-C4'-P energy: -100.922
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: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2189.489106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.489106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.489106 (E_RNA)
where:
Base-Base interactions energy: -1488.534
where: short stacking energy: -591.795
Base-Backbone interact. energy: 2.822
local terms energy: -703.776815
where:
bonds (distance) C4'-P energy: -138.307
bonds (distance) P-C4' energy: -144.033
flat angles C4'-P-C4' energy: -153.544
flat angles P-C4'-P energy: -93.467
tors. eta vs tors. theta energy: -174.426
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: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1935.758658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.758658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.758658 (E_RNA)
where:
Base-Base interactions energy: -1306.777
where: short stacking energy: -577.121
Base-Backbone interact. energy: -1.652
local terms energy: -627.329294
where:
bonds (distance) C4'-P energy: -117.352
bonds (distance) P-C4' energy: -141.390
flat angles C4'-P-C4' energy: -144.206
flat angles P-C4'-P energy: -79.173
tors. eta vs tors. theta energy: -145.209
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: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1687.476369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.476369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.476369 (E_RNA)
where:
Base-Base interactions energy: -1114.291
where: short stacking energy: -504.704
Base-Backbone interact. energy: -3.343
local terms energy: -569.841580
where:
bonds (distance) C4'-P energy: -112.185
bonds (distance) P-C4' energy: -125.395
flat angles C4'-P-C4' energy: -137.341
flat angles P-C4'-P energy: -75.176
tors. eta vs tors. theta energy: -119.744
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: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1262.111189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.111189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.111189 (E_RNA)
where:
Base-Base interactions energy: -781.854
where: short stacking energy: -370.515
Base-Backbone interact. energy: -2.705
local terms energy: -477.552332
where:
bonds (distance) C4'-P energy: -117.015
bonds (distance) P-C4' energy: -115.256
flat angles C4'-P-C4' energy: -114.555
flat angles P-C4'-P energy: -62.057
tors. eta vs tors. theta energy: -68.669
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: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1137.261780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.261780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.261780 (E_RNA)
where:
Base-Base interactions energy: -677.504
where: short stacking energy: -337.922
Base-Backbone interact. energy: -3.655
local terms energy: -456.102652
where:
bonds (distance) C4'-P energy: -119.412
bonds (distance) P-C4' energy: -123.109
flat angles C4'-P-C4' energy: -111.300
flat angles P-C4'-P energy: -68.042
tors. eta vs tors. theta energy: -34.239
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: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -823.782521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.782521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.782521 (E_RNA)
where:
Base-Base interactions energy: -421.734
where: short stacking energy: -234.254
Base-Backbone interact. energy: 8.110
local terms energy: -410.159112
where:
bonds (distance) C4'-P energy: -107.056
bonds (distance) P-C4' energy: -121.868
flat angles C4'-P-C4' energy: -81.541
flat angles P-C4'-P energy: -75.953
tors. eta vs tors. theta energy: -23.742
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: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2610.723942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.723942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.723942 (E_RNA)
where:
Base-Base interactions energy: -1829.224
where: short stacking energy: -767.149
Base-Backbone interact. energy: 2.513
local terms energy: -784.012381
where:
bonds (distance) C4'-P energy: -137.305
bonds (distance) P-C4' energy: -143.450
flat angles C4'-P-C4' energy: -177.315
flat angles P-C4'-P energy: -105.939
tors. eta vs tors. theta energy: -220.002
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2482.922413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.922413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.922413 (E_RNA)
where:
Base-Base interactions energy: -1729.634
where: short stacking energy: -714.909
Base-Backbone interact. energy: -1.974
local terms energy: -751.314086
where:
bonds (distance) C4'-P energy: -133.259
bonds (distance) P-C4' energy: -151.796
flat angles C4'-P-C4' energy: -170.797
flat angles P-C4'-P energy: -103.074
tors. eta vs tors. theta energy: -192.389
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: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2353.087244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.087244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.087244 (E_RNA)
where:
Base-Base interactions energy: -1613.445
where: short stacking energy: -735.737
Base-Backbone interact. energy: -1.920
local terms energy: -737.721275
where:
bonds (distance) C4'-P energy: -116.834
bonds (distance) P-C4' energy: -131.697
flat angles C4'-P-C4' energy: -152.390
flat angles P-C4'-P energy: -107.133
tors. eta vs tors. theta energy: -229.667
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: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2324.617879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.617879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.617879 (E_RNA)
where:
Base-Base interactions energy: -1607.520
where: short stacking energy: -693.147
Base-Backbone interact. energy: 0.789
local terms energy: -717.886314
where:
bonds (distance) C4'-P energy: -130.384
bonds (distance) P-C4' energy: -123.153
flat angles C4'-P-C4' energy: -170.734
flat angles P-C4'-P energy: -99.645
tors. eta vs tors. theta energy: -193.970
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: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2168.696282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.696282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.696282 (E_RNA)
where:
Base-Base interactions energy: -1493.944
where: short stacking energy: -671.470
Base-Backbone interact. energy: -1.098
local terms energy: -673.654253
where:
bonds (distance) C4'-P energy: -121.351
bonds (distance) P-C4' energy: -131.102
flat angles C4'-P-C4' energy: -146.792
flat angles P-C4'-P energy: -102.349
tors. eta vs tors. theta energy: -172.060
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: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1867.027123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.027123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.027123 (E_RNA)
where:
Base-Base interactions energy: -1223.205
where: short stacking energy: -557.717
Base-Backbone interact. energy: -0.190
local terms energy: -643.632136
where:
bonds (distance) C4'-P energy: -121.542
bonds (distance) P-C4' energy: -130.849
flat angles C4'-P-C4' energy: -148.382
flat angles P-C4'-P energy: -87.936
tors. eta vs tors. theta energy: -154.922
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: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1706.854532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.854532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.854532 (E_RNA)
where:
Base-Base interactions energy: -1117.885
where: short stacking energy: -495.428
Base-Backbone interact. energy: -1.482
local terms energy: -587.487413
where:
bonds (distance) C4'-P energy: -119.952
bonds (distance) P-C4' energy: -133.476
flat angles C4'-P-C4' energy: -129.312
flat angles P-C4'-P energy: -76.232
tors. eta vs tors. theta energy: -128.514
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: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1252.753054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.753054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.753054 (E_RNA)
where:
Base-Base interactions energy: -770.722
where: short stacking energy: -378.122
Base-Backbone interact. energy: 0.964
local terms energy: -482.994368
where:
bonds (distance) C4'-P energy: -126.593
bonds (distance) P-C4' energy: -122.779
flat angles C4'-P-C4' energy: -101.863
flat angles P-C4'-P energy: -73.509
tors. eta vs tors. theta energy: -58.251
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: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1192.067430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.067430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.067430 (E_RNA)
where:
Base-Base interactions energy: -721.852
where: short stacking energy: -351.829
Base-Backbone interact. energy: -3.200
local terms energy: -467.015406
where:
bonds (distance) C4'-P energy: -103.817
bonds (distance) P-C4' energy: -126.509
flat angles C4'-P-C4' energy: -119.693
flat angles P-C4'-P energy: -65.872
tors. eta vs tors. theta energy: -51.124
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: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -814.044117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.044117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.044117 (E_RNA)
where:
Base-Base interactions energy: -425.373
where: short stacking energy: -242.027
Base-Backbone interact. energy: 0.189
local terms energy: -388.860107
where:
bonds (distance) C4'-P energy: -100.039
bonds (distance) P-C4' energy: -117.536
flat angles C4'-P-C4' energy: -118.921
flat angles P-C4'-P energy: -47.531
tors. eta vs tors. theta energy: -4.833
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: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2614.297564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.297564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.297564 (E_RNA)
where:
Base-Base interactions energy: -1824.217
where: short stacking energy: -747.436
Base-Backbone interact. energy: 2.197
local terms energy: -792.277772
where:
bonds (distance) C4'-P energy: -144.368
bonds (distance) P-C4' energy: -155.645
flat angles C4'-P-C4' energy: -171.116
flat angles P-C4'-P energy: -94.795
tors. eta vs tors. theta energy: -226.355
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: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2498.715888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.715888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.715888 (E_RNA)
where:
Base-Base interactions energy: -1755.279
where: short stacking energy: -717.171
Base-Backbone interact. energy: -5.196
local terms energy: -738.241747
where:
bonds (distance) C4'-P energy: -133.112
bonds (distance) P-C4' energy: -132.868
flat angles C4'-P-C4' energy: -162.125
flat angles P-C4'-P energy: -108.532
tors. eta vs tors. theta energy: -201.606
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: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2386.846553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.846553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.846553 (E_RNA)
where:
Base-Base interactions energy: -1629.334
where: short stacking energy: -730.129
Base-Backbone interact. energy: -3.053
local terms energy: -754.459726
where:
bonds (distance) C4'-P energy: -138.796
bonds (distance) P-C4' energy: -146.203
flat angles C4'-P-C4' energy: -149.570
flat angles P-C4'-P energy: -111.666
tors. eta vs tors. theta energy: -208.225
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: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2264.391741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.391741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.391741 (E_RNA)
where:
Base-Base interactions energy: -1549.535
where: short stacking energy: -684.750
Base-Backbone interact. energy: -3.107
local terms energy: -711.749544
where:
bonds (distance) C4'-P energy: -123.952
bonds (distance) P-C4' energy: -145.591
flat angles C4'-P-C4' energy: -148.183
flat angles P-C4'-P energy: -99.885
tors. eta vs tors. theta energy: -194.138
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: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2180.903667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.903667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.903667 (E_RNA)
where:
Base-Base interactions energy: -1493.008
where: short stacking energy: -632.454
Base-Backbone interact. energy: 0.217
local terms energy: -688.112183
where:
bonds (distance) C4'-P energy: -128.182
bonds (distance) P-C4' energy: -136.583
flat angles C4'-P-C4' energy: -151.878
flat angles P-C4'-P energy: -97.531
tors. eta vs tors. theta energy: -173.938
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: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1875.900802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.900802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.900802 (E_RNA)
where:
Base-Base interactions energy: -1289.430
where: short stacking energy: -556.131
Base-Backbone interact. energy: -3.908
local terms energy: -582.563601
where:
bonds (distance) C4'-P energy: -93.285
bonds (distance) P-C4' energy: -135.011
flat angles C4'-P-C4' energy: -144.212
flat angles P-C4'-P energy: -72.802
tors. eta vs tors. theta energy: -137.253
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: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1678.879481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.879481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.879481 (E_RNA)
where:
Base-Base interactions energy: -1087.966
where: short stacking energy: -490.717
Base-Backbone interact. energy: -2.795
local terms energy: -588.118650
where:
bonds (distance) C4'-P energy: -120.363
bonds (distance) P-C4' energy: -112.336
flat angles C4'-P-C4' energy: -141.431
flat angles P-C4'-P energy: -91.373
tors. eta vs tors. theta energy: -122.614
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: 177
Temperature: 1.250000
Total energy: -1207.552598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.552598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.552598 (E_RNA)
where:
Base-Base interactions energy: -741.996
where: short stacking energy: -329.216
Base-Backbone interact. energy: -0.886
local terms energy: -464.670841
where:
bonds (distance) C4'-P energy: -119.808
bonds (distance) P-C4' energy: -115.188
flat angles C4'-P-C4' energy: -114.468
flat angles P-C4'-P energy: -76.539
tors. eta vs tors. theta energy: -38.668
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: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1063.873932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.873932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.873932 (E_RNA)
where:
Base-Base interactions energy: -612.474
where: short stacking energy: -313.888
Base-Backbone interact. energy: 6.272
local terms energy: -457.672584
where:
bonds (distance) C4'-P energy: -121.076
bonds (distance) P-C4' energy: -123.752
flat angles C4'-P-C4' energy: -117.438
flat angles P-C4'-P energy: -57.323
tors. eta vs tors. theta energy: -38.085
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: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -848.779026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.779026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.779026 (E_RNA)
where:
Base-Base interactions energy: -437.986
where: short stacking energy: -261.362
Base-Backbone interact. energy: 4.643
local terms energy: -415.435799
where:
bonds (distance) C4'-P energy: -124.557
bonds (distance) P-C4' energy: -94.798
flat angles C4'-P-C4' energy: -126.046
flat angles P-C4'-P energy: -62.051
tors. eta vs tors. theta energy: -7.983
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: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2593.578989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.578989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.578989 (E_RNA)
where:
Base-Base interactions energy: -1813.326
where: short stacking energy: -763.687
Base-Backbone interact. energy: -5.556
local terms energy: -774.697179
where:
bonds (distance) C4'-P energy: -130.674
bonds (distance) P-C4' energy: -149.541
flat angles C4'-P-C4' energy: -159.657
flat angles P-C4'-P energy: -112.376
tors. eta vs tors. theta energy: -222.450
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: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2472.754978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.754978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.754978 (E_RNA)
where:
Base-Base interactions energy: -1707.714
where: short stacking energy: -712.830
Base-Backbone interact. energy: -2.955
local terms energy: -762.085751
where:
bonds (distance) C4'-P energy: -153.901
bonds (distance) P-C4' energy: -143.409
flat angles C4'-P-C4' energy: -163.931
flat angles P-C4'-P energy: -109.296
tors. eta vs tors. theta energy: -191.549
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: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2385.710786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.710786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.710786 (E_RNA)
where:
Base-Base interactions energy: -1645.750
where: short stacking energy: -733.040
Base-Backbone interact. energy: -2.406
local terms energy: -737.554866
where:
bonds (distance) C4'-P energy: -131.413
bonds (distance) P-C4' energy: -134.274
flat angles C4'-P-C4' energy: -157.257
flat angles P-C4'-P energy: -98.709
tors. eta vs tors. theta energy: -215.902
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: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2245.611616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.611616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.611616 (E_RNA)
where:
Base-Base interactions energy: -1547.297
where: short stacking energy: -646.868
Base-Backbone interact. energy: -2.729
local terms energy: -695.586026
where:
bonds (distance) C4'-P energy: -135.152
bonds (distance) P-C4' energy: -125.179
flat angles C4'-P-C4' energy: -156.435
flat angles P-C4'-P energy: -93.901
tors. eta vs tors. theta energy: -184.919
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2217.440549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.440549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.440549 (E_RNA)
where:
Base-Base interactions energy: -1525.721
where: short stacking energy: -645.902
Base-Backbone interact. energy: -1.046
local terms energy: -690.673877
where:
bonds (distance) C4'-P energy: -131.996
bonds (distance) P-C4' energy: -124.082
flat angles C4'-P-C4' energy: -139.337
flat angles P-C4'-P energy: -111.078
tors. eta vs tors. theta energy: -184.181
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: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1906.992833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.992833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.992833 (E_RNA)
where:
Base-Base interactions energy: -1260.489
where: short stacking energy: -565.070
Base-Backbone interact. energy: -1.256
local terms energy: -645.248588
where:
bonds (distance) C4'-P energy: -137.322
bonds (distance) P-C4' energy: -149.447
flat angles C4'-P-C4' energy: -130.048
flat angles P-C4'-P energy: -82.783
tors. eta vs tors. theta energy: -145.650
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: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1739.968145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.968145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.968145 (E_RNA)
where:
Base-Base interactions energy: -1128.042
where: short stacking energy: -503.815
Base-Backbone interact. energy: -3.016
local terms energy: -608.910594
where:
bonds (distance) C4'-P energy: -114.308
bonds (distance) P-C4' energy: -132.148
flat angles C4'-P-C4' energy: -132.106
flat angles P-C4'-P energy: -96.742
tors. eta vs tors. theta energy: -133.607
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1281.047479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.047479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.047479 (E_RNA)
where:
Base-Base interactions energy: -763.302
where: short stacking energy: -355.104
Base-Backbone interact. energy: 0.444
local terms energy: -518.189725
where:
bonds (distance) C4'-P energy: -134.531
bonds (distance) P-C4' energy: -140.125
flat angles C4'-P-C4' energy: -118.315
flat angles P-C4'-P energy: -72.394
tors. eta vs tors. theta energy: -52.826
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: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1074.280081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.280081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.280081 (E_RNA)
where:
Base-Base interactions energy: -592.538
where: short stacking energy: -315.161
Base-Backbone interact. energy: -1.227
local terms energy: -480.514788
where:
bonds (distance) C4'-P energy: -120.933
bonds (distance) P-C4' energy: -138.540
flat angles C4'-P-C4' energy: -118.568
flat angles P-C4'-P energy: -67.638
tors. eta vs tors. theta energy: -34.836
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: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -914.409650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.409650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.409650 (E_RNA)
where:
Base-Base interactions energy: -497.258
where: short stacking energy: -265.269
Base-Backbone interact. energy: 0.436
local terms energy: -417.587550
where:
bonds (distance) C4'-P energy: -120.632
bonds (distance) P-C4' energy: -112.902
flat angles C4'-P-C4' energy: -109.721
flat angles P-C4'-P energy: -61.170
tors. eta vs tors. theta energy: -13.163
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: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2572.762729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.762729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.762729 (E_RNA)
where:
Base-Base interactions energy: -1773.190
where: short stacking energy: -750.953
Base-Backbone interact. energy: -1.660
local terms energy: -797.912683
where:
bonds (distance) C4'-P energy: -148.580
bonds (distance) P-C4' energy: -156.324
flat angles C4'-P-C4' energy: -162.027
flat angles P-C4'-P energy: -109.610
tors. eta vs tors. theta energy: -221.372
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: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2483.277663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.277663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.277663 (E_RNA)
where:
Base-Base interactions energy: -1733.183
where: short stacking energy: -722.356
Base-Backbone interact. energy: -3.192
local terms energy: -746.902676
where:
bonds (distance) C4'-P energy: -135.285
bonds (distance) P-C4' energy: -141.707
flat angles C4'-P-C4' energy: -161.060
flat angles P-C4'-P energy: -107.390
tors. eta vs tors. theta energy: -201.461
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: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2378.584619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.584619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.584619 (E_RNA)
where:
Base-Base interactions energy: -1605.891
where: short stacking energy: -714.465
Base-Backbone interact. energy: 1.231
local terms energy: -773.924308
where:
bonds (distance) C4'-P energy: -140.423
bonds (distance) P-C4' energy: -152.102
flat angles C4'-P-C4' energy: -153.193
flat angles P-C4'-P energy: -102.636
tors. eta vs tors. theta energy: -225.570
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: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2295.797265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.797265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.797265 (E_RNA)
where:
Base-Base interactions energy: -1566.147
where: short stacking energy: -667.134
Base-Backbone interact. energy: -4.526
local terms energy: -725.124805
where:
bonds (distance) C4'-P energy: -123.699
bonds (distance) P-C4' energy: -146.393
flat angles C4'-P-C4' energy: -158.365
flat angles P-C4'-P energy: -105.639
tors. eta vs tors. theta energy: -191.028
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: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2189.599700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.599700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.599700 (E_RNA)
where:
Base-Base interactions energy: -1499.364
where: short stacking energy: -646.310
Base-Backbone interact. energy: -0.499
local terms energy: -689.737040
where:
bonds (distance) C4'-P energy: -130.065
bonds (distance) P-C4' energy: -123.161
flat angles C4'-P-C4' energy: -150.276
flat angles P-C4'-P energy: -105.528
tors. eta vs tors. theta energy: -180.707
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: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1960.327150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.327150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.327150 (E_RNA)
where:
Base-Base interactions energy: -1306.544
where: short stacking energy: -579.051
Base-Backbone interact. energy: -6.484
local terms energy: -647.299693
where:
bonds (distance) C4'-P energy: -133.364
bonds (distance) P-C4' energy: -134.021
flat angles C4'-P-C4' energy: -121.026
flat angles P-C4'-P energy: -87.624
tors. eta vs tors. theta energy: -171.265
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: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1763.026738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.026738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.026738 (E_RNA)
where:
Base-Base interactions energy: -1193.650
where: short stacking energy: -521.548
Base-Backbone interact. energy: 1.895
local terms energy: -571.271249
where:
bonds (distance) C4'-P energy: -130.922
bonds (distance) P-C4' energy: -109.795
flat angles C4'-P-C4' energy: -125.891
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -126.744
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: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1258.847581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.847581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.847581 (E_RNA)
where:
Base-Base interactions energy: -772.863
where: short stacking energy: -364.828
Base-Backbone interact. energy: 3.086
local terms energy: -489.070586
where:
bonds (distance) C4'-P energy: -99.251
bonds (distance) P-C4' energy: -148.085
flat angles C4'-P-C4' energy: -133.395
flat angles P-C4'-P energy: -55.992
tors. eta vs tors. theta energy: -52.347
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: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1119.082664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.082664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.082664 (E_RNA)
where:
Base-Base interactions energy: -668.770
where: short stacking energy: -345.233
Base-Backbone interact. energy: 0.584
local terms energy: -450.897011
where:
bonds (distance) C4'-P energy: -108.047
bonds (distance) P-C4' energy: -118.506
flat angles C4'-P-C4' energy: -131.178
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -32.732
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: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -856.372770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.372770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.372770 (E_RNA)
where:
Base-Base interactions energy: -446.759
where: short stacking energy: -227.706
Base-Backbone interact. energy: 1.869
local terms energy: -411.482509
where:
bonds (distance) C4'-P energy: -106.559
bonds (distance) P-C4' energy: -138.844
flat angles C4'-P-C4' energy: -105.269
flat angles P-C4'-P energy: -54.244
tors. eta vs tors. theta energy: -6.565
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: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2608.148138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.148138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.148138 (E_RNA)
where:
Base-Base interactions energy: -1811.384
where: short stacking energy: -747.910
Base-Backbone interact. energy: -2.457
local terms energy: -794.306985
where:
bonds (distance) C4'-P energy: -150.700
bonds (distance) P-C4' energy: -156.875
flat angles C4'-P-C4' energy: -167.135
flat angles P-C4'-P energy: -107.065
tors. eta vs tors. theta energy: -212.532
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: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2494.112992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.112992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.112992 (E_RNA)
where:
Base-Base interactions energy: -1710.087
where: short stacking energy: -720.493
Base-Backbone interact. energy: -3.375
local terms energy: -780.651514
where:
bonds (distance) C4'-P energy: -135.207
bonds (distance) P-C4' energy: -138.303
flat angles C4'-P-C4' energy: -169.866
flat angles P-C4'-P energy: -124.168
tors. eta vs tors. theta energy: -213.108
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: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2317.449771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.449771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.449771 (E_RNA)
where:
Base-Base interactions energy: -1594.375
where: short stacking energy: -686.843
Base-Backbone interact. energy: 9.655
local terms energy: -732.729651
where:
bonds (distance) C4'-P energy: -138.972
bonds (distance) P-C4' energy: -135.175
flat angles C4'-P-C4' energy: -161.391
flat angles P-C4'-P energy: -100.633
tors. eta vs tors. theta energy: -196.559
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: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2296.872356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.872356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.872356 (E_RNA)
where:
Base-Base interactions energy: -1553.777
where: short stacking energy: -698.562
Base-Backbone interact. energy: -3.131
local terms energy: -739.964153
where:
bonds (distance) C4'-P energy: -131.568
bonds (distance) P-C4' energy: -146.587
flat angles C4'-P-C4' energy: -153.012
flat angles P-C4'-P energy: -94.716
tors. eta vs tors. theta energy: -214.081
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: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2182.665923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.665923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.665923 (E_RNA)
where:
Base-Base interactions energy: -1504.374
where: short stacking energy: -684.386
Base-Backbone interact. energy: -1.369
local terms energy: -676.922200
where:
bonds (distance) C4'-P energy: -128.238
bonds (distance) P-C4' energy: -118.182
flat angles C4'-P-C4' energy: -144.713
flat angles P-C4'-P energy: -99.177
tors. eta vs tors. theta energy: -186.612
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: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1950.371908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.371908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.371908 (E_RNA)
where:
Base-Base interactions energy: -1310.822
where: short stacking energy: -586.855
Base-Backbone interact. energy: 2.452
local terms energy: -642.002048
where:
bonds (distance) C4'-P energy: -114.155
bonds (distance) P-C4' energy: -133.128
flat angles C4'-P-C4' energy: -149.042
flat angles P-C4'-P energy: -92.931
tors. eta vs tors. theta energy: -152.746
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: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1757.223812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.223812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.223812 (E_RNA)
where:
Base-Base interactions energy: -1172.154
where: short stacking energy: -520.243
Base-Backbone interact. energy: 3.604
local terms energy: -588.673298
where:
bonds (distance) C4'-P energy: -108.508
bonds (distance) P-C4' energy: -127.066
flat angles C4'-P-C4' energy: -138.880
flat angles P-C4'-P energy: -98.750
tors. eta vs tors. theta energy: -115.469
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: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1261.511670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.511670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.511670 (E_RNA)
where:
Base-Base interactions energy: -773.574
where: short stacking energy: -368.024
Base-Backbone interact. energy: -0.384
local terms energy: -487.553220
where:
bonds (distance) C4'-P energy: -109.342
bonds (distance) P-C4' energy: -130.522
flat angles C4'-P-C4' energy: -115.354
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -56.335
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: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1094.017428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.017428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.017428 (E_RNA)
where:
Base-Base interactions energy: -626.311
where: short stacking energy: -312.756
Base-Backbone interact. energy: -1.941
local terms energy: -465.765209
where:
bonds (distance) C4'-P energy: -115.516
bonds (distance) P-C4' energy: -135.483
flat angles C4'-P-C4' energy: -128.806
flat angles P-C4'-P energy: -58.080
tors. eta vs tors. theta energy: -27.879
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: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -837.691969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.691969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.691969 (E_RNA)
where:
Base-Base interactions energy: -440.708
where: short stacking energy: -248.492
Base-Backbone interact. energy: 8.625
local terms energy: -405.609168
where:
bonds (distance) C4'-P energy: -107.206
bonds (distance) P-C4' energy: -111.352
flat angles C4'-P-C4' energy: -99.227
flat angles P-C4'-P energy: -71.797
tors. eta vs tors. theta energy: -16.027
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: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2592.952130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.952130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.952130 (E_RNA)
where:
Base-Base interactions energy: -1817.306
where: short stacking energy: -739.738
Base-Backbone interact. energy: -1.767
local terms energy: -773.878717
where:
bonds (distance) C4'-P energy: -138.674
bonds (distance) P-C4' energy: -144.703
flat angles C4'-P-C4' energy: -172.846
flat angles P-C4'-P energy: -105.060
tors. eta vs tors. theta energy: -212.597
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: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2469.025221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.025221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.025221 (E_RNA)
where:
Base-Base interactions energy: -1737.228
where: short stacking energy: -719.513
Base-Backbone interact. energy: -5.787
local terms energy: -726.010767
where:
bonds (distance) C4'-P energy: -124.752
bonds (distance) P-C4' energy: -134.589
flat angles C4'-P-C4' energy: -153.983
flat angles P-C4'-P energy: -104.896
tors. eta vs tors. theta energy: -207.790
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: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2342.204973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.204973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.204973 (E_RNA)
where:
Base-Base interactions energy: -1617.272
where: short stacking energy: -684.521
Base-Backbone interact. energy: -1.055
local terms energy: -723.877366
where:
bonds (distance) C4'-P energy: -127.343
bonds (distance) P-C4' energy: -135.976
flat angles C4'-P-C4' energy: -165.159
flat angles P-C4'-P energy: -100.459
tors. eta vs tors. theta energy: -194.940
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: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2240.785811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.785811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.785811 (E_RNA)
where:
Base-Base interactions energy: -1539.915
where: short stacking energy: -685.437
Base-Backbone interact. energy: -0.227
local terms energy: -700.643899
where:
bonds (distance) C4'-P energy: -134.721
bonds (distance) P-C4' energy: -127.656
flat angles C4'-P-C4' energy: -160.326
flat angles P-C4'-P energy: -83.099
tors. eta vs tors. theta energy: -194.842
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: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2198.133149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.133149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.133149 (E_RNA)
where:
Base-Base interactions energy: -1502.347
where: short stacking energy: -650.181
Base-Backbone interact. energy: -3.211
local terms energy: -692.575211
where:
bonds (distance) C4'-P energy: -117.923
bonds (distance) P-C4' energy: -131.116
flat angles C4'-P-C4' energy: -155.405
flat angles P-C4'-P energy: -91.258
tors. eta vs tors. theta energy: -196.873
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: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1962.433389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.433389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.433389 (E_RNA)
where:
Base-Base interactions energy: -1331.339
where: short stacking energy: -589.056
Base-Backbone interact. energy: -4.747
local terms energy: -626.347381
where:
bonds (distance) C4'-P energy: -123.258
bonds (distance) P-C4' energy: -108.750
flat angles C4'-P-C4' energy: -124.531
flat angles P-C4'-P energy: -111.164
tors. eta vs tors. theta energy: -158.645
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: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1659.979317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.979317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.979317 (E_RNA)
where:
Base-Base interactions energy: -1110.074
where: short stacking energy: -483.566
Base-Backbone interact. energy: -1.478
local terms energy: -548.426830
where:
bonds (distance) C4'-P energy: -112.384
bonds (distance) P-C4' energy: -129.573
flat angles C4'-P-C4' energy: -124.684
flat angles P-C4'-P energy: -84.465
tors. eta vs tors. theta energy: -97.320
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: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1301.963313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.963313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.963313 (E_RNA)
where:
Base-Base interactions energy: -780.404
where: short stacking energy: -396.746
Base-Backbone interact. energy: -0.420
local terms energy: -521.139147
where:
bonds (distance) C4'-P energy: -115.773
bonds (distance) P-C4' energy: -114.758
flat angles C4'-P-C4' energy: -124.455
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -83.929
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: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1112.138501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.138501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.138501 (E_RNA)
where:
Base-Base interactions energy: -650.703
where: short stacking energy: -293.283
Base-Backbone interact. energy: -2.455
local terms energy: -458.980097
where:
bonds (distance) C4'-P energy: -122.980
bonds (distance) P-C4' energy: -128.787
flat angles C4'-P-C4' energy: -122.049
flat angles P-C4'-P energy: -65.237
tors. eta vs tors. theta energy: -19.927
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: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -828.181161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.181161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.181161 (E_RNA)
where:
Base-Base interactions energy: -429.562
where: short stacking energy: -230.753
Base-Backbone interact. energy: -3.377
local terms energy: -395.241857
where:
bonds (distance) C4'-P energy: -98.720
bonds (distance) P-C4' energy: -115.278
flat angles C4'-P-C4' energy: -130.372
flat angles P-C4'-P energy: -49.529
tors. eta vs tors. theta energy: -1.342
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: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2600.679330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.679330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.679330 (E_RNA)
where:
Base-Base interactions energy: -1822.569
where: short stacking energy: -766.399
Base-Backbone interact. energy: -2.478
local terms energy: -775.632086
where:
bonds (distance) C4'-P energy: -130.282
bonds (distance) P-C4' energy: -137.762
flat angles C4'-P-C4' energy: -173.198
flat angles P-C4'-P energy: -114.587
tors. eta vs tors. theta energy: -219.803
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: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2490.944574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.944574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.944574 (E_RNA)
where:
Base-Base interactions energy: -1745.856
where: short stacking energy: -753.215
Base-Backbone interact. energy: -3.155
local terms energy: -741.933959
where:
bonds (distance) C4'-P energy: -131.409
bonds (distance) P-C4' energy: -128.807
flat angles C4'-P-C4' energy: -164.314
flat angles P-C4'-P energy: -110.624
tors. eta vs tors. theta energy: -206.779
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2398.792549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.792549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.792549 (E_RNA)
where:
Base-Base interactions energy: -1682.276
where: short stacking energy: -698.052
Base-Backbone interact. energy: 0.863
local terms energy: -717.378999
where:
bonds (distance) C4'-P energy: -121.570
bonds (distance) P-C4' energy: -148.348
flat angles C4'-P-C4' energy: -145.173
flat angles P-C4'-P energy: -109.057
tors. eta vs tors. theta energy: -193.231
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: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2273.525454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.525454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.525454 (E_RNA)
where:
Base-Base interactions energy: -1553.389
where: short stacking energy: -670.012
Base-Backbone interact. energy: -0.476
local terms energy: -719.660419
where:
bonds (distance) C4'-P energy: -122.183
bonds (distance) P-C4' energy: -146.000
flat angles C4'-P-C4' energy: -154.431
flat angles P-C4'-P energy: -90.570
tors. eta vs tors. theta energy: -206.475
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: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2186.231263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.231263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.231263 (E_RNA)
where:
Base-Base interactions energy: -1512.664
where: short stacking energy: -652.412
Base-Backbone interact. energy: -3.979
local terms energy: -669.588865
where:
bonds (distance) C4'-P energy: -123.431
bonds (distance) P-C4' energy: -135.672
flat angles C4'-P-C4' energy: -141.506
flat angles P-C4'-P energy: -86.624
tors. eta vs tors. theta energy: -182.356
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: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1927.733088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.733088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.733088 (E_RNA)
where:
Base-Base interactions energy: -1285.488
where: short stacking energy: -559.028
Base-Backbone interact. energy: -3.240
local terms energy: -639.004438
where:
bonds (distance) C4'-P energy: -135.758
bonds (distance) P-C4' energy: -142.281
flat angles C4'-P-C4' energy: -119.436
flat angles P-C4'-P energy: -89.960
tors. eta vs tors. theta energy: -151.570
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: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1606.394091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.394091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.394091 (E_RNA)
where:
Base-Base interactions energy: -1056.939
where: short stacking energy: -472.095
Base-Backbone interact. energy: 3.532
local terms energy: -552.986430
where:
bonds (distance) C4'-P energy: -129.733
bonds (distance) P-C4' energy: -113.337
flat angles C4'-P-C4' energy: -124.981
flat angles P-C4'-P energy: -79.485
tors. eta vs tors. theta energy: -105.451
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: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1249.782952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.782952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.782952 (E_RNA)
where:
Base-Base interactions energy: -750.556
where: short stacking energy: -361.393
Base-Backbone interact. energy: 0.497
local terms energy: -499.723237
where:
bonds (distance) C4'-P energy: -112.329
bonds (distance) P-C4' energy: -138.131
flat angles C4'-P-C4' energy: -111.275
flat angles P-C4'-P energy: -79.268
tors. eta vs tors. theta energy: -58.721
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: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1106.981917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.981917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.981917 (E_RNA)
where:
Base-Base interactions energy: -654.764
where: short stacking energy: -330.003
Base-Backbone interact. energy: -2.395
local terms energy: -449.823016
where:
bonds (distance) C4'-P energy: -106.376
bonds (distance) P-C4' energy: -121.248
flat angles C4'-P-C4' energy: -102.962
flat angles P-C4'-P energy: -60.427
tors. eta vs tors. theta energy: -58.811
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: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -814.994193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.994193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.994193 (E_RNA)
where:
Base-Base interactions energy: -432.430
where: short stacking energy: -238.769
Base-Backbone interact. energy: -0.633
local terms energy: -381.931377
where:
bonds (distance) C4'-P energy: -110.436
bonds (distance) P-C4' energy: -123.713
flat angles C4'-P-C4' energy: -88.599
flat angles P-C4'-P energy: -63.479
tors. eta vs tors. theta energy: 4.296
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: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2577.482304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.482304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.482304 (E_RNA)
where:
Base-Base interactions energy: -1804.872
where: short stacking energy: -751.305
Base-Backbone interact. energy: -3.297
local terms energy: -769.312991
where:
bonds (distance) C4'-P energy: -148.572
bonds (distance) P-C4' energy: -142.487
flat angles C4'-P-C4' energy: -164.508
flat angles P-C4'-P energy: -106.281
tors. eta vs tors. theta energy: -207.465
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: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2496.554154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.554154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.554154 (E_RNA)
where:
Base-Base interactions energy: -1732.322
where: short stacking energy: -741.512
Base-Backbone interact. energy: -4.645
local terms energy: -759.587847
where:
bonds (distance) C4'-P energy: -141.412
bonds (distance) P-C4' energy: -130.265
flat angles C4'-P-C4' energy: -166.010
flat angles P-C4'-P energy: -117.921
tors. eta vs tors. theta energy: -203.980
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: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2380.414496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.414496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.414496 (E_RNA)
where:
Base-Base interactions energy: -1628.485
where: short stacking energy: -703.638
Base-Backbone interact. energy: -1.517
local terms energy: -750.411859
where:
bonds (distance) C4'-P energy: -136.694
bonds (distance) P-C4' energy: -137.762
flat angles C4'-P-C4' energy: -161.764
flat angles P-C4'-P energy: -110.153
tors. eta vs tors. theta energy: -204.039
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: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2293.598215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.598215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.598215 (E_RNA)
where:
Base-Base interactions energy: -1579.935
where: short stacking energy: -689.465
Base-Backbone interact. energy: -2.262
local terms energy: -711.401582
where:
bonds (distance) C4'-P energy: -126.320
bonds (distance) P-C4' energy: -133.407
flat angles C4'-P-C4' energy: -146.597
flat angles P-C4'-P energy: -96.638
tors. eta vs tors. theta energy: -208.440
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: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2169.577900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.577900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.577900 (E_RNA)
where:
Base-Base interactions energy: -1497.366
where: short stacking energy: -633.657
Base-Backbone interact. energy: 7.370
local terms energy: -679.581541
where:
bonds (distance) C4'-P energy: -122.406
bonds (distance) P-C4' energy: -135.071
flat angles C4'-P-C4' energy: -140.453
flat angles P-C4'-P energy: -105.990
tors. eta vs tors. theta energy: -175.662
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: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1925.632922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.632922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.632922 (E_RNA)
where:
Base-Base interactions energy: -1295.321
where: short stacking energy: -566.121
Base-Backbone interact. energy: 4.635
local terms energy: -634.946470
where:
bonds (distance) C4'-P energy: -116.295
bonds (distance) P-C4' energy: -127.165
flat angles C4'-P-C4' energy: -149.438
flat angles P-C4'-P energy: -89.572
tors. eta vs tors. theta energy: -152.478
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: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1686.807789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.807789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.807789 (E_RNA)
where:
Base-Base interactions energy: -1115.823
where: short stacking energy: -509.759
Base-Backbone interact. energy: 0.846
local terms energy: -571.831445
where:
bonds (distance) C4'-P energy: -119.525
bonds (distance) P-C4' energy: -117.289
flat angles C4'-P-C4' energy: -128.688
flat angles P-C4'-P energy: -78.371
tors. eta vs tors. theta energy: -127.958
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: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1227.892655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.892655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.892655 (E_RNA)
where:
Base-Base interactions energy: -728.509
where: short stacking energy: -357.090
Base-Backbone interact. energy: 7.196
local terms energy: -506.580109
where:
bonds (distance) C4'-P energy: -102.609
bonds (distance) P-C4' energy: -120.371
flat angles C4'-P-C4' energy: -130.467
flat angles P-C4'-P energy: -88.458
tors. eta vs tors. theta energy: -64.676
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: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1088.154964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.154964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.154964 (E_RNA)
where:
Base-Base interactions energy: -603.094
where: short stacking energy: -290.791
Base-Backbone interact. energy: 5.218
local terms energy: -490.278721
where:
bonds (distance) C4'-P energy: -126.400
bonds (distance) P-C4' energy: -131.500
flat angles C4'-P-C4' energy: -119.426
flat angles P-C4'-P energy: -71.539
tors. eta vs tors. theta energy: -41.413
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: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -863.623357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.623357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.623357 (E_RNA)
where:
Base-Base interactions energy: -432.102
where: short stacking energy: -257.146
Base-Backbone interact. energy: 7.147
local terms energy: -438.668233
where:
bonds (distance) C4'-P energy: -86.203
bonds (distance) P-C4' energy: -137.202
flat angles C4'-P-C4' energy: -135.376
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -13.630
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: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2611.055679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.055679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.055679 (E_RNA)
where:
Base-Base interactions energy: -1807.795
where: short stacking energy: -716.995
Base-Backbone interact. energy: -0.207
local terms energy: -803.053107
where:
bonds (distance) C4'-P energy: -143.282
bonds (distance) P-C4' energy: -146.486
flat angles C4'-P-C4' energy: -178.151
flat angles P-C4'-P energy: -115.420
tors. eta vs tors. theta energy: -219.713
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: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2471.643567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.643567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.643567 (E_RNA)
where:
Base-Base interactions energy: -1708.674
where: short stacking energy: -711.889
Base-Backbone interact. energy: -1.533
local terms energy: -761.437278
where:
bonds (distance) C4'-P energy: -143.914
bonds (distance) P-C4' energy: -148.319
flat angles C4'-P-C4' energy: -164.837
flat angles P-C4'-P energy: -108.159
tors. eta vs tors. theta energy: -196.208
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: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2356.501972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.501972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.501972 (E_RNA)
where:
Base-Base interactions energy: -1605.461
where: short stacking energy: -699.978
Base-Backbone interact. energy: 1.883
local terms energy: -752.923999
where:
bonds (distance) C4'-P energy: -150.219
bonds (distance) P-C4' energy: -142.318
flat angles C4'-P-C4' energy: -154.831
flat angles P-C4'-P energy: -101.779
tors. eta vs tors. theta energy: -203.776
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: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2310.644620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.644620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.644620 (E_RNA)
where:
Base-Base interactions energy: -1593.421
where: short stacking energy: -678.820
Base-Backbone interact. energy: 0.604
local terms energy: -717.828238
where:
bonds (distance) C4'-P energy: -128.319
bonds (distance) P-C4' energy: -136.017
flat angles C4'-P-C4' energy: -162.056
flat angles P-C4'-P energy: -102.275
tors. eta vs tors. theta energy: -189.161
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: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2213.748273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.748273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.748273 (E_RNA)
where:
Base-Base interactions energy: -1531.646
where: short stacking energy: -632.742
Base-Backbone interact. energy: -2.247
local terms energy: -679.855726
where:
bonds (distance) C4'-P energy: -127.548
bonds (distance) P-C4' energy: -118.707
flat angles C4'-P-C4' energy: -165.142
flat angles P-C4'-P energy: -90.130
tors. eta vs tors. theta energy: -178.330
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: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1990.947248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.947248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.947248 (E_RNA)
where:
Base-Base interactions energy: -1321.363
where: short stacking energy: -590.759
Base-Backbone interact. energy: -3.355
local terms energy: -666.229946
where:
bonds (distance) C4'-P energy: -122.362
bonds (distance) P-C4' energy: -141.212
flat angles C4'-P-C4' energy: -145.838
flat angles P-C4'-P energy: -91.113
tors. eta vs tors. theta energy: -165.706
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: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1701.620268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.620268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.620268 (E_RNA)
where:
Base-Base interactions energy: -1102.587
where: short stacking energy: -485.482
Base-Backbone interact. energy: -0.738
local terms energy: -598.295680
where:
bonds (distance) C4'-P energy: -123.565
bonds (distance) P-C4' energy: -137.692
flat angles C4'-P-C4' energy: -128.943
flat angles P-C4'-P energy: -97.435
tors. eta vs tors. theta energy: -110.661
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: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1241.970497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.970497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.970497 (E_RNA)
where:
Base-Base interactions energy: -726.088
where: short stacking energy: -350.342
Base-Backbone interact. energy: -1.030
local terms energy: -514.851913
where:
bonds (distance) C4'-P energy: -122.256
bonds (distance) P-C4' energy: -136.145
flat angles C4'-P-C4' energy: -106.619
flat angles P-C4'-P energy: -78.002
tors. eta vs tors. theta energy: -71.829
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: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1124.190108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.190108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.190108 (E_RNA)
where:
Base-Base interactions energy: -657.662
where: short stacking energy: -317.529
Base-Backbone interact. energy: -2.134
local terms energy: -464.394046
where:
bonds (distance) C4'-P energy: -120.124
bonds (distance) P-C4' energy: -108.769
flat angles C4'-P-C4' energy: -101.127
flat angles P-C4'-P energy: -77.073
tors. eta vs tors. theta energy: -57.301
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: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -823.602058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.602058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.602058 (E_RNA)
where:
Base-Base interactions energy: -421.423
where: short stacking energy: -235.509
Base-Backbone interact. energy: 2.686
local terms energy: -404.865093
where:
bonds (distance) C4'-P energy: -118.889
bonds (distance) P-C4' energy: -108.050
flat angles C4'-P-C4' energy: -117.657
flat angles P-C4'-P energy: -56.458
tors. eta vs tors. theta energy: -3.812
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: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2601.976822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.976822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.976822 (E_RNA)
where:
Base-Base interactions energy: -1824.667
where: short stacking energy: -760.950
Base-Backbone interact. energy: 6.438
local terms energy: -783.747449
where:
bonds (distance) C4'-P energy: -143.673
bonds (distance) P-C4' energy: -148.080
flat angles C4'-P-C4' energy: -163.269
flat angles P-C4'-P energy: -114.733
tors. eta vs tors. theta energy: -213.992
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: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2501.913429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.913429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.913429 (E_RNA)
where:
Base-Base interactions energy: -1744.773
where: short stacking energy: -749.964
Base-Backbone interact. energy: -5.735
local terms energy: -751.405556
where:
bonds (distance) C4'-P energy: -127.236
bonds (distance) P-C4' energy: -147.460
flat angles C4'-P-C4' energy: -154.023
flat angles P-C4'-P energy: -118.230
tors. eta vs tors. theta energy: -204.457
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: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2354.568698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.568698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.568698 (E_RNA)
where:
Base-Base interactions energy: -1584.414
where: short stacking energy: -705.977
Base-Backbone interact. energy: -3.372
local terms energy: -766.782177
where:
bonds (distance) C4'-P energy: -127.259
bonds (distance) P-C4' energy: -147.814
flat angles C4'-P-C4' energy: -154.476
flat angles P-C4'-P energy: -112.676
tors. eta vs tors. theta energy: -224.557
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: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2322.373955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.373955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.373955 (E_RNA)
where:
Base-Base interactions energy: -1585.354
where: short stacking energy: -678.668
Base-Backbone interact. energy: -4.475
local terms energy: -732.545332
where:
bonds (distance) C4'-P energy: -132.316
bonds (distance) P-C4' energy: -146.893
flat angles C4'-P-C4' energy: -148.613
flat angles P-C4'-P energy: -106.910
tors. eta vs tors. theta energy: -197.813
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: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2202.425005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.425005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.425005 (E_RNA)
where:
Base-Base interactions energy: -1495.570
where: short stacking energy: -636.385
Base-Backbone interact. energy: -0.404
local terms energy: -706.450747
where:
bonds (distance) C4'-P energy: -133.362
bonds (distance) P-C4' energy: -129.961
flat angles C4'-P-C4' energy: -153.515
flat angles P-C4'-P energy: -117.973
tors. eta vs tors. theta energy: -171.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1953.917763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.917763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.917763 (E_RNA)
where:
Base-Base interactions energy: -1310.734
where: short stacking energy: -573.986
Base-Backbone interact. energy: -3.506
local terms energy: -639.677953
where:
bonds (distance) C4'-P energy: -137.556
bonds (distance) P-C4' energy: -130.580
flat angles C4'-P-C4' energy: -137.357
flat angles P-C4'-P energy: -80.968
tors. eta vs tors. theta energy: -153.217
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: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1744.963729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.963729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.963729 (E_RNA)
where:
Base-Base interactions energy: -1155.900
where: short stacking energy: -540.018
Base-Backbone interact. energy: 0.168
local terms energy: -589.231783
where:
bonds (distance) C4'-P energy: -117.880
bonds (distance) P-C4' energy: -132.591
flat angles C4'-P-C4' energy: -129.819
flat angles P-C4'-P energy: -86.296
tors. eta vs tors. theta energy: -122.646
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: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1270.869010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.869010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.869010 (E_RNA)
where:
Base-Base interactions energy: -796.143
where: short stacking energy: -403.511
Base-Backbone interact. energy: 3.186
local terms energy: -477.912399
where:
bonds (distance) C4'-P energy: -105.778
bonds (distance) P-C4' energy: -125.503
flat angles C4'-P-C4' energy: -115.369
flat angles P-C4'-P energy: -73.161
tors. eta vs tors. theta energy: -58.101
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: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1076.975605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.975605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.975605 (E_RNA)
where:
Base-Base interactions energy: -598.314
where: short stacking energy: -299.267
Base-Backbone interact. energy: 0.297
local terms energy: -478.958730
where:
bonds (distance) C4'-P energy: -122.419
bonds (distance) P-C4' energy: -117.214
flat angles C4'-P-C4' energy: -110.142
flat angles P-C4'-P energy: -75.602
tors. eta vs tors. theta energy: -53.581
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: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -878.414472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.414472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.414472 (E_RNA)
where:
Base-Base interactions energy: -486.731
where: short stacking energy: -261.258
Base-Backbone interact. energy: 3.697
local terms energy: -395.380373
where:
bonds (distance) C4'-P energy: -119.018
bonds (distance) P-C4' energy: -117.420
flat angles C4'-P-C4' energy: -96.929
flat angles P-C4'-P energy: -45.042
tors. eta vs tors. theta energy: -16.972
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: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2611.741168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.741168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.741168 (E_RNA)
where:
Base-Base interactions energy: -1806.602
where: short stacking energy: -751.175
Base-Backbone interact. energy: 0.042
local terms energy: -805.180840
where:
bonds (distance) C4'-P energy: -143.885
bonds (distance) P-C4' energy: -150.706
flat angles C4'-P-C4' energy: -168.704
flat angles P-C4'-P energy: -120.504
tors. eta vs tors. theta energy: -221.382
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: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2456.048605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.048605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.048605 (E_RNA)
where:
Base-Base interactions energy: -1677.260
where: short stacking energy: -690.011
Base-Backbone interact. energy: -2.412
local terms energy: -776.376402
where:
bonds (distance) C4'-P energy: -142.892
bonds (distance) P-C4' energy: -159.260
flat angles C4'-P-C4' energy: -169.093
flat angles P-C4'-P energy: -105.530
tors. eta vs tors. theta energy: -199.601
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: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2379.848890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.848890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.848890 (E_RNA)
where:
Base-Base interactions energy: -1649.138
where: short stacking energy: -711.723
Base-Backbone interact. energy: 1.231
local terms energy: -731.942635
where:
bonds (distance) C4'-P energy: -129.146
bonds (distance) P-C4' energy: -137.857
flat angles C4'-P-C4' energy: -163.475
flat angles P-C4'-P energy: -96.440
tors. eta vs tors. theta energy: -205.025
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: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2262.952988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.952988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.952988 (E_RNA)
where:
Base-Base interactions energy: -1533.406
where: short stacking energy: -673.749
Base-Backbone interact. energy: -1.598
local terms energy: -727.949090
where:
bonds (distance) C4'-P energy: -125.557
bonds (distance) P-C4' energy: -139.776
flat angles C4'-P-C4' energy: -148.333
flat angles P-C4'-P energy: -105.779
tors. eta vs tors. theta energy: -208.504
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: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2193.631418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.631418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.631418 (E_RNA)
where:
Base-Base interactions energy: -1504.971
where: short stacking energy: -626.433
Base-Backbone interact. energy: -3.005
local terms energy: -685.654616
where:
bonds (distance) C4'-P energy: -136.950
bonds (distance) P-C4' energy: -120.046
flat angles C4'-P-C4' energy: -151.969
flat angles P-C4'-P energy: -89.540
tors. eta vs tors. theta energy: -187.150
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: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1965.118367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.118367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.118367 (E_RNA)
where:
Base-Base interactions energy: -1314.544
where: short stacking energy: -584.572
Base-Backbone interact. energy: -5.572
local terms energy: -645.002316
where:
bonds (distance) C4'-P energy: -141.552
bonds (distance) P-C4' energy: -115.193
flat angles C4'-P-C4' energy: -151.672
flat angles P-C4'-P energy: -73.059
tors. eta vs tors. theta energy: -163.527
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: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1723.478868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.478868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.478868 (E_RNA)
where:
Base-Base interactions energy: -1120.834
where: short stacking energy: -506.518
Base-Backbone interact. energy: -2.097
local terms energy: -600.548423
where:
bonds (distance) C4'-P energy: -122.929
bonds (distance) P-C4' energy: -126.564
flat angles C4'-P-C4' energy: -132.413
flat angles P-C4'-P energy: -91.196
tors. eta vs tors. theta energy: -127.446
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: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1262.257127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.257127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.257127 (E_RNA)
where:
Base-Base interactions energy: -757.078
where: short stacking energy: -374.285
Base-Backbone interact. energy: 2.139
local terms energy: -507.318180
where:
bonds (distance) C4'-P energy: -121.541
bonds (distance) P-C4' energy: -121.926
flat angles C4'-P-C4' energy: -122.830
flat angles P-C4'-P energy: -70.800
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: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1104.910464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.910464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.910464 (E_RNA)
where:
Base-Base interactions energy: -668.541
where: short stacking energy: -313.082
Base-Backbone interact. energy: -0.955
local terms energy: -435.414351
where:
bonds (distance) C4'-P energy: -110.000
bonds (distance) P-C4' energy: -120.920
flat angles C4'-P-C4' energy: -106.798
flat angles P-C4'-P energy: -77.628
tors. eta vs tors. theta energy: -20.069
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: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -846.302741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.302741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.302741 (E_RNA)
where:
Base-Base interactions energy: -442.174
where: short stacking energy: -218.148
Base-Backbone interact. energy: 0.710
local terms energy: -404.838713
where:
bonds (distance) C4'-P energy: -116.095
bonds (distance) P-C4' energy: -121.790
flat angles C4'-P-C4' energy: -116.046
flat angles P-C4'-P energy: -55.688
tors. eta vs tors. theta energy: 4.780
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: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2595.399820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.399820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.399820 (E_RNA)
where:
Base-Base interactions energy: -1829.005
where: short stacking energy: -757.808
Base-Backbone interact. energy: -4.053
local terms energy: -762.342167
where:
bonds (distance) C4'-P energy: -141.461
bonds (distance) P-C4' energy: -146.816
flat angles C4'-P-C4' energy: -163.971
flat angles P-C4'-P energy: -92.250
tors. eta vs tors. theta energy: -217.844
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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2456.344996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.344996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.344996 (E_RNA)
where:
Base-Base interactions energy: -1710.597
where: short stacking energy: -697.555
Base-Backbone interact. energy: -1.136
local terms energy: -744.611895
where:
bonds (distance) C4'-P energy: -126.599
bonds (distance) P-C4' energy: -152.945
flat angles C4'-P-C4' energy: -169.059
flat angles P-C4'-P energy: -102.855
tors. eta vs tors. theta energy: -193.153
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: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2364.111628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.111628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.111628 (E_RNA)
where:
Base-Base interactions energy: -1611.085
where: short stacking energy: -701.110
Base-Backbone interact. energy: -0.128
local terms energy: -752.898754
where:
bonds (distance) C4'-P energy: -137.804
bonds (distance) P-C4' energy: -146.032
flat angles C4'-P-C4' energy: -164.614
flat angles P-C4'-P energy: -109.266
tors. eta vs tors. theta energy: -195.182
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: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2228.943801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.943801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.943801 (E_RNA)
where:
Base-Base interactions energy: -1526.522
where: short stacking energy: -655.247
Base-Backbone interact. energy: 2.049
local terms energy: -704.470991
where:
bonds (distance) C4'-P energy: -140.663
bonds (distance) P-C4' energy: -128.338
flat angles C4'-P-C4' energy: -149.736
flat angles P-C4'-P energy: -94.040
tors. eta vs tors. theta energy: -191.694
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: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2181.853258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.853258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.853258 (E_RNA)
where:
Base-Base interactions energy: -1493.689
where: short stacking energy: -655.428
Base-Backbone interact. energy: -2.130
local terms energy: -686.034002
where:
bonds (distance) C4'-P energy: -116.655
bonds (distance) P-C4' energy: -125.507
flat angles C4'-P-C4' energy: -156.413
flat angles P-C4'-P energy: -91.645
tors. eta vs tors. theta energy: -195.815
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: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1919.907593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.907593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.907593 (E_RNA)
where:
Base-Base interactions energy: -1295.158
where: short stacking energy: -573.703
Base-Backbone interact. energy: -2.668
local terms energy: -622.082147
where:
bonds (distance) C4'-P energy: -119.270
bonds (distance) P-C4' energy: -114.359
flat angles C4'-P-C4' energy: -153.819
flat angles P-C4'-P energy: -87.023
tors. eta vs tors. theta energy: -147.611
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: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1714.218573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.218573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.218573 (E_RNA)
where:
Base-Base interactions energy: -1124.595
where: short stacking energy: -494.724
Base-Backbone interact. energy: 2.403
local terms energy: -592.026195
where:
bonds (distance) C4'-P energy: -123.689
bonds (distance) P-C4' energy: -139.986
flat angles C4'-P-C4' energy: -141.296
flat angles P-C4'-P energy: -79.484
tors. eta vs tors. theta energy: -107.571
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: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1256.784857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.784857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.784857 (E_RNA)
where:
Base-Base interactions energy: -769.564
where: short stacking energy: -388.791
Base-Backbone interact. energy: -1.354
local terms energy: -485.866566
where:
bonds (distance) C4'-P energy: -103.954
bonds (distance) P-C4' energy: -141.342
flat angles C4'-P-C4' energy: -111.637
flat angles P-C4'-P energy: -72.560
tors. eta vs tors. theta energy: -56.374
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: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1075.005049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.005049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.005049 (E_RNA)
where:
Base-Base interactions energy: -645.437
where: short stacking energy: -321.829
Base-Backbone interact. energy: -2.872
local terms energy: -426.696048
where:
bonds (distance) C4'-P energy: -109.737
bonds (distance) P-C4' energy: -106.931
flat angles C4'-P-C4' energy: -122.601
flat angles P-C4'-P energy: -60.328
tors. eta vs tors. theta energy: -27.100
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: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -841.810361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.810361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.810361 (E_RNA)
where:
Base-Base interactions energy: -436.189
where: short stacking energy: -238.362
Base-Backbone interact. energy: 0.516
local terms energy: -406.136668
where:
bonds (distance) C4'-P energy: -111.633
bonds (distance) P-C4' energy: -108.781
flat angles C4'-P-C4' energy: -102.301
flat angles P-C4'-P energy: -74.379
tors. eta vs tors. theta energy: -9.042
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: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2575.892175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.892175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.892175 (E_RNA)
where:
Base-Base interactions energy: -1794.424
where: short stacking energy: -743.604
Base-Backbone interact. energy: -4.415
local terms energy: -777.053991
where:
bonds (distance) C4'-P energy: -137.576
bonds (distance) P-C4' energy: -147.756
flat angles C4'-P-C4' energy: -164.092
flat angles P-C4'-P energy: -110.214
tors. eta vs tors. theta energy: -217.416
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: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2470.046202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.046202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.046202 (E_RNA)
where:
Base-Base interactions energy: -1710.468
where: short stacking energy: -684.662
Base-Backbone interact. energy: 1.242
local terms energy: -760.820372
where:
bonds (distance) C4'-P energy: -145.298
bonds (distance) P-C4' energy: -157.402
flat angles C4'-P-C4' energy: -157.720
flat angles P-C4'-P energy: -104.766
tors. eta vs tors. theta energy: -195.635
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: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2404.050929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.050929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.050929 (E_RNA)
where:
Base-Base interactions energy: -1661.347
where: short stacking energy: -710.884
Base-Backbone interact. energy: 1.981
local terms energy: -744.684841
where:
bonds (distance) C4'-P energy: -120.777
bonds (distance) P-C4' energy: -145.034
flat angles C4'-P-C4' energy: -164.263
flat angles P-C4'-P energy: -113.553
tors. eta vs tors. theta energy: -201.058
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: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2281.704637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.704637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.704637 (E_RNA)
where:
Base-Base interactions energy: -1560.053
where: short stacking energy: -648.723
Base-Backbone interact. energy: -0.040
local terms energy: -721.611586
where:
bonds (distance) C4'-P energy: -126.710
bonds (distance) P-C4' energy: -146.142
flat angles C4'-P-C4' energy: -158.564
flat angles P-C4'-P energy: -109.977
tors. eta vs tors. theta energy: -180.218
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: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2164.697075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.697075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.697075 (E_RNA)
where:
Base-Base interactions energy: -1468.177
where: short stacking energy: -641.057
Base-Backbone interact. energy: -3.901
local terms energy: -692.618978
where:
bonds (distance) C4'-P energy: -117.089
bonds (distance) P-C4' energy: -134.805
flat angles C4'-P-C4' energy: -142.058
flat angles P-C4'-P energy: -118.225
tors. eta vs tors. theta energy: -180.442
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: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1987.175209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.175209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.175209 (E_RNA)
where:
Base-Base interactions energy: -1334.010
where: short stacking energy: -587.374
Base-Backbone interact. energy: -3.569
local terms energy: -649.596752
where:
bonds (distance) C4'-P energy: -115.303
bonds (distance) P-C4' energy: -143.805
flat angles C4'-P-C4' energy: -144.389
flat angles P-C4'-P energy: -90.172
tors. eta vs tors. theta energy: -155.928
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1745.515553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.515553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.515553 (E_RNA)
where:
Base-Base interactions energy: -1190.221
where: short stacking energy: -509.828
Base-Backbone interact. energy: -0.399
local terms energy: -554.895245
where:
bonds (distance) C4'-P energy: -110.571
bonds (distance) P-C4' energy: -130.531
flat angles C4'-P-C4' energy: -140.017
flat angles P-C4'-P energy: -66.508
tors. eta vs tors. theta energy: -107.268
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: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1299.649394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.649394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.649394 (E_RNA)
where:
Base-Base interactions energy: -844.874
where: short stacking energy: -366.261
Base-Backbone interact. energy: 2.417
local terms energy: -457.192570
where:
bonds (distance) C4'-P energy: -108.761
bonds (distance) P-C4' energy: -113.067
flat angles C4'-P-C4' energy: -115.001
flat angles P-C4'-P energy: -57.403
tors. eta vs tors. theta energy: -62.962
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: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1165.320806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.320806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.320806 (E_RNA)
where:
Base-Base interactions energy: -691.185
where: short stacking energy: -335.830
Base-Backbone interact. energy: 0.536
local terms energy: -474.672288
where:
bonds (distance) C4'-P energy: -109.004
bonds (distance) P-C4' energy: -115.850
flat angles C4'-P-C4' energy: -128.544
flat angles P-C4'-P energy: -74.684
tors. eta vs tors. theta energy: -46.590
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: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -886.062497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.062497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.062497 (E_RNA)
where:
Base-Base interactions energy: -475.420
where: short stacking energy: -263.909
Base-Backbone interact. energy: -2.797
local terms energy: -407.845544
where:
bonds (distance) C4'-P energy: -104.476
bonds (distance) P-C4' energy: -112.953
flat angles C4'-P-C4' energy: -110.444
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -2.663
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: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2580.479841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.479841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.479841 (E_RNA)
where:
Base-Base interactions energy: -1811.390
where: short stacking energy: -741.074
Base-Backbone interact. energy: 3.192
local terms energy: -772.281961
where:
bonds (distance) C4'-P energy: -147.314
bonds (distance) P-C4' energy: -139.685
flat angles C4'-P-C4' energy: -161.605
flat angles P-C4'-P energy: -106.128
tors. eta vs tors. theta energy: -217.551
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: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2462.584919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.584919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.584919 (E_RNA)
where:
Base-Base interactions energy: -1702.474
where: short stacking energy: -707.918
Base-Backbone interact. energy: -3.028
local terms energy: -757.082667
where:
bonds (distance) C4'-P energy: -133.040
bonds (distance) P-C4' energy: -154.371
flat angles C4'-P-C4' energy: -159.728
flat angles P-C4'-P energy: -116.678
tors. eta vs tors. theta energy: -193.266
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: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2413.791821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.791821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.791821 (E_RNA)
where:
Base-Base interactions energy: -1648.370
where: short stacking energy: -730.068
Base-Backbone interact. energy: 0.864
local terms energy: -766.286021
where:
bonds (distance) C4'-P energy: -129.008
bonds (distance) P-C4' energy: -147.012
flat angles C4'-P-C4' energy: -165.472
flat angles P-C4'-P energy: -123.291
tors. eta vs tors. theta energy: -201.503
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: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2347.548777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.548777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.548777 (E_RNA)
where:
Base-Base interactions energy: -1615.447
where: short stacking energy: -701.170
Base-Backbone interact. energy: -4.246
local terms energy: -727.855375
where:
bonds (distance) C4'-P energy: -137.583
bonds (distance) P-C4' energy: -136.578
flat angles C4'-P-C4' energy: -163.249
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -196.000
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: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2183.311691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.311691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.311691 (E_RNA)
where:
Base-Base interactions energy: -1475.107
where: short stacking energy: -614.947
Base-Backbone interact. energy: -4.550
local terms energy: -703.654417
where:
bonds (distance) C4'-P energy: -134.679
bonds (distance) P-C4' energy: -123.073
flat angles C4'-P-C4' energy: -153.755
flat angles P-C4'-P energy: -101.564
tors. eta vs tors. theta energy: -190.582
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: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1937.839534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.839534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.839534 (E_RNA)
where:
Base-Base interactions energy: -1326.842
where: short stacking energy: -582.645
Base-Backbone interact. energy: -2.328
local terms energy: -608.669755
where:
bonds (distance) C4'-P energy: -106.079
bonds (distance) P-C4' energy: -138.882
flat angles C4'-P-C4' energy: -119.280
flat angles P-C4'-P energy: -100.121
tors. eta vs tors. theta energy: -144.308
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: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1697.121541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.121541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.121541 (E_RNA)
where:
Base-Base interactions energy: -1122.999
where: short stacking energy: -472.707
Base-Backbone interact. energy: -0.715
local terms energy: -573.407826
where:
bonds (distance) C4'-P energy: -133.295
bonds (distance) P-C4' energy: -107.481
flat angles C4'-P-C4' energy: -133.476
flat angles P-C4'-P energy: -88.905
tors. eta vs tors. theta energy: -110.251
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: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1363.460768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.460768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.460768 (E_RNA)
where:
Base-Base interactions energy: -811.009
where: short stacking energy: -388.831
Base-Backbone interact. energy: -2.850
local terms energy: -549.602227
where:
bonds (distance) C4'-P energy: -129.788
bonds (distance) P-C4' energy: -128.530
flat angles C4'-P-C4' energy: -124.969
flat angles P-C4'-P energy: -78.889
tors. eta vs tors. theta energy: -87.427
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: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1148.843545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.843545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.843545 (E_RNA)
where:
Base-Base interactions energy: -702.490
where: short stacking energy: -314.722
Base-Backbone interact. energy: -0.387
local terms energy: -445.966640
where:
bonds (distance) C4'-P energy: -114.027
bonds (distance) P-C4' energy: -126.800
flat angles C4'-P-C4' energy: -106.046
flat angles P-C4'-P energy: -62.129
tors. eta vs tors. theta energy: -36.965
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: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -944.513042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.513042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.513042 (E_RNA)
where:
Base-Base interactions energy: -540.819
where: short stacking energy: -278.617
Base-Backbone interact. energy: -3.530
local terms energy: -400.164530
where:
bonds (distance) C4'-P energy: -101.264
bonds (distance) P-C4' energy: -107.349
flat angles C4'-P-C4' energy: -112.359
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -20.816
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: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2610.313031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.313031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.313031 (E_RNA)
where:
Base-Base interactions energy: -1794.503
where: short stacking energy: -755.619
Base-Backbone interact. energy: -3.999
local terms energy: -811.810816
where:
bonds (distance) C4'-P energy: -149.172
bonds (distance) P-C4' energy: -147.253
flat angles C4'-P-C4' energy: -168.007
flat angles P-C4'-P energy: -124.712
tors. eta vs tors. theta energy: -222.666
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: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2435.844497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.844497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.844497 (E_RNA)
where:
Base-Base interactions energy: -1679.027
where: short stacking energy: -693.768
Base-Backbone interact. energy: 1.146
local terms energy: -757.963148
where:
bonds (distance) C4'-P energy: -151.775
bonds (distance) P-C4' energy: -140.697
flat angles C4'-P-C4' energy: -157.146
flat angles P-C4'-P energy: -112.925
tors. eta vs tors. theta energy: -195.419
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: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2395.072530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.072530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.072530 (E_RNA)
where:
Base-Base interactions energy: -1653.045
where: short stacking energy: -697.438
Base-Backbone interact. energy: -0.599
local terms energy: -741.428774
where:
bonds (distance) C4'-P energy: -142.167
bonds (distance) P-C4' energy: -125.306
flat angles C4'-P-C4' energy: -174.492
flat angles P-C4'-P energy: -98.242
tors. eta vs tors. theta energy: -201.222
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: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2339.908152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.908152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.908152 (E_RNA)
where:
Base-Base interactions energy: -1608.205
where: short stacking energy: -716.790
Base-Backbone interact. energy: -4.828
local terms energy: -726.874740
where:
bonds (distance) C4'-P energy: -132.448
bonds (distance) P-C4' energy: -137.323
flat angles C4'-P-C4' energy: -146.273
flat angles P-C4'-P energy: -108.066
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: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2136.523647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.523647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.523647 (E_RNA)
where:
Base-Base interactions energy: -1465.357
where: short stacking energy: -626.579
Base-Backbone interact. energy: -2.692
local terms energy: -668.475308
where:
bonds (distance) C4'-P energy: -130.973
bonds (distance) P-C4' energy: -125.416
flat angles C4'-P-C4' energy: -135.758
flat angles P-C4'-P energy: -96.085
tors. eta vs tors. theta energy: -180.243
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: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1884.434157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.434157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.434157 (E_RNA)
where:
Base-Base interactions energy: -1246.105
where: short stacking energy: -543.818
Base-Backbone interact. energy: -0.346
local terms energy: -637.983855
where:
bonds (distance) C4'-P energy: -130.683
bonds (distance) P-C4' energy: -146.624
flat angles C4'-P-C4' energy: -146.877
flat angles P-C4'-P energy: -88.334
tors. eta vs tors. theta energy: -125.466
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: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1698.863912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.863912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.863912 (E_RNA)
where:
Base-Base interactions energy: -1119.460
where: short stacking energy: -450.569
Base-Backbone interact. energy: -0.987
local terms energy: -578.416778
where:
bonds (distance) C4'-P energy: -136.105
bonds (distance) P-C4' energy: -132.986
flat angles C4'-P-C4' energy: -125.204
flat angles P-C4'-P energy: -72.999
tors. eta vs tors. theta energy: -111.123
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: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1365.682466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.682466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.682466 (E_RNA)
where:
Base-Base interactions energy: -865.394
where: short stacking energy: -393.862
Base-Backbone interact. energy: -6.231
local terms energy: -494.057702
where:
bonds (distance) C4'-P energy: -112.420
bonds (distance) P-C4' energy: -121.784
flat angles C4'-P-C4' energy: -117.497
flat angles P-C4'-P energy: -65.760
tors. eta vs tors. theta energy: -76.596
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: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1052.905121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.905121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.905121 (E_RNA)
where:
Base-Base interactions energy: -593.112
where: short stacking energy: -273.795
Base-Backbone interact. energy: -4.881
local terms energy: -454.911382
where:
bonds (distance) C4'-P energy: -117.178
bonds (distance) P-C4' energy: -129.300
flat angles C4'-P-C4' energy: -110.302
flat angles P-C4'-P energy: -72.982
tors. eta vs tors. theta energy: -25.150
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: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -976.414143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.414143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.414143 (E_RNA)
where:
Base-Base interactions energy: -540.799
where: short stacking energy: -274.554
Base-Backbone interact. energy: -0.186
local terms energy: -435.429143
where:
bonds (distance) C4'-P energy: -102.322
bonds (distance) P-C4' energy: -124.207
flat angles C4'-P-C4' energy: -113.204
flat angles P-C4'-P energy: -75.000
tors. eta vs tors. theta energy: -20.697
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: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2593.651338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.651338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.651338 (E_RNA)
where:
Base-Base interactions energy: -1811.880
where: short stacking energy: -768.954
Base-Backbone interact. energy: 0.412
local terms energy: -782.183369
where:
bonds (distance) C4'-P energy: -153.159
bonds (distance) P-C4' energy: -133.905
flat angles C4'-P-C4' energy: -164.945
flat angles P-C4'-P energy: -110.504
tors. eta vs tors. theta energy: -219.671
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: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2436.258407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.258407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.258407 (E_RNA)
where:
Base-Base interactions energy: -1653.361
where: short stacking energy: -713.996
Base-Backbone interact. energy: -0.562
local terms energy: -782.335266
where:
bonds (distance) C4'-P energy: -151.402
bonds (distance) P-C4' energy: -145.472
flat angles C4'-P-C4' energy: -165.856
flat angles P-C4'-P energy: -120.007
tors. eta vs tors. theta energy: -199.598
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: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2412.273197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.273197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.273197 (E_RNA)
where:
Base-Base interactions energy: -1683.585
where: short stacking energy: -718.826
Base-Backbone interact. energy: 0.710
local terms energy: -729.398514
where:
bonds (distance) C4'-P energy: -122.921
bonds (distance) P-C4' energy: -143.922
flat angles C4'-P-C4' energy: -168.188
flat angles P-C4'-P energy: -97.680
tors. eta vs tors. theta energy: -196.688
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: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2326.933902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.933902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.933902 (E_RNA)
where:
Base-Base interactions energy: -1606.036
where: short stacking energy: -689.396
Base-Backbone interact. energy: -4.073
local terms energy: -716.824670
where:
bonds (distance) C4'-P energy: -117.272
bonds (distance) P-C4' energy: -142.882
flat angles C4'-P-C4' energy: -158.710
flat angles P-C4'-P energy: -102.719
tors. eta vs tors. theta energy: -195.242
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: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2166.687941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.687941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.687941 (E_RNA)
where:
Base-Base interactions energy: -1501.343
where: short stacking energy: -632.234
Base-Backbone interact. energy: -0.502
local terms energy: -664.843065
where:
bonds (distance) C4'-P energy: -126.303
bonds (distance) P-C4' energy: -127.408
flat angles C4'-P-C4' energy: -150.574
flat angles P-C4'-P energy: -84.423
tors. eta vs tors. theta energy: -176.134
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: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1961.878432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.878432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.878432 (E_RNA)
where:
Base-Base interactions energy: -1327.867
where: short stacking energy: -594.814
Base-Backbone interact. energy: -2.754
local terms energy: -631.256794
where:
bonds (distance) C4'-P energy: -116.647
bonds (distance) P-C4' energy: -112.848
flat angles C4'-P-C4' energy: -155.507
flat angles P-C4'-P energy: -88.825
tors. eta vs tors. theta energy: -157.429
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: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1819.102242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.102242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.102242 (E_RNA)
where:
Base-Base interactions energy: -1216.956
where: short stacking energy: -519.516
Base-Backbone interact. energy: 2.242
local terms energy: -604.388233
where:
bonds (distance) C4'-P energy: -139.069
bonds (distance) P-C4' energy: -116.702
flat angles C4'-P-C4' energy: -110.362
flat angles P-C4'-P energy: -94.310
tors. eta vs tors. theta energy: -143.944
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: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1369.728644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.728644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.728644 (E_RNA)
where:
Base-Base interactions energy: -835.845
where: short stacking energy: -408.004
Base-Backbone interact. energy: -1.562
local terms energy: -532.321355
where:
bonds (distance) C4'-P energy: -105.858
bonds (distance) P-C4' energy: -136.285
flat angles C4'-P-C4' energy: -126.256
flat angles P-C4'-P energy: -90.326
tors. eta vs tors. theta energy: -73.596
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: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1038.316189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.316189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.316189 (E_RNA)
where:
Base-Base interactions energy: -609.952
where: short stacking energy: -277.575
Base-Backbone interact. energy: -0.301
local terms energy: -428.063001
where:
bonds (distance) C4'-P energy: -104.074
bonds (distance) P-C4' energy: -136.820
flat angles C4'-P-C4' energy: -95.856
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -25.014
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: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -928.821048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.821048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.821048 (E_RNA)
where:
Base-Base interactions energy: -519.369
where: short stacking energy: -256.729
Base-Backbone interact. energy: -0.331
local terms energy: -409.120551
where:
bonds (distance) C4'-P energy: -107.442
bonds (distance) P-C4' energy: -127.144
flat angles C4'-P-C4' energy: -107.006
flat angles P-C4'-P energy: -53.101
tors. eta vs tors. theta energy: -14.428
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: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2592.211059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.211059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.211059 (E_RNA)
where:
Base-Base interactions energy: -1800.538
where: short stacking energy: -757.283
Base-Backbone interact. energy: -4.835
local terms energy: -786.837937
where:
bonds (distance) C4'-P energy: -145.892
bonds (distance) P-C4' energy: -132.628
flat angles C4'-P-C4' energy: -172.880
flat angles P-C4'-P energy: -111.034
tors. eta vs tors. theta energy: -224.404
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: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2469.219714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.219714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.219714 (E_RNA)
where:
Base-Base interactions energy: -1699.032
where: short stacking energy: -743.340
Base-Backbone interact. energy: -0.841
local terms energy: -769.346137
where:
bonds (distance) C4'-P energy: -133.086
bonds (distance) P-C4' energy: -138.012
flat angles C4'-P-C4' energy: -169.408
flat angles P-C4'-P energy: -115.617
tors. eta vs tors. theta energy: -213.223
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: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2374.172942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.172942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.172942 (E_RNA)
where:
Base-Base interactions energy: -1609.992
where: short stacking energy: -674.202
Base-Backbone interact. energy: -4.590
local terms energy: -759.591077
where:
bonds (distance) C4'-P energy: -133.584
bonds (distance) P-C4' energy: -142.407
flat angles C4'-P-C4' energy: -170.457
flat angles P-C4'-P energy: -109.201
tors. eta vs tors. theta energy: -203.943
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: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2345.726970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.726970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.726970 (E_RNA)
where:
Base-Base interactions energy: -1612.305
where: short stacking energy: -672.400
Base-Backbone interact. energy: -2.981
local terms energy: -730.441012
where:
bonds (distance) C4'-P energy: -142.068
bonds (distance) P-C4' energy: -136.330
flat angles C4'-P-C4' energy: -147.176
flat angles P-C4'-P energy: -103.501
tors. eta vs tors. theta energy: -201.366
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: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2079.731108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.731108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.731108 (E_RNA)
where:
Base-Base interactions energy: -1422.414
where: short stacking energy: -608.964
Base-Backbone interact. energy: -0.767
local terms energy: -656.549772
where:
bonds (distance) C4'-P energy: -122.069
bonds (distance) P-C4' energy: -132.190
flat angles C4'-P-C4' energy: -141.282
flat angles P-C4'-P energy: -97.589
tors. eta vs tors. theta energy: -163.420
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: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1974.277322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.277322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.277322 (E_RNA)
where:
Base-Base interactions energy: -1356.387
where: short stacking energy: -591.513
Base-Backbone interact. energy: -2.620
local terms energy: -615.270249
where:
bonds (distance) C4'-P energy: -124.870
bonds (distance) P-C4' energy: -120.116
flat angles C4'-P-C4' energy: -127.621
flat angles P-C4'-P energy: -88.704
tors. eta vs tors. theta energy: -153.959
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: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1763.906540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.906540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.906540 (E_RNA)
where:
Base-Base interactions energy: -1154.643
where: short stacking energy: -518.005
Base-Backbone interact. energy: -1.964
local terms energy: -607.299524
where:
bonds (distance) C4'-P energy: -122.037
bonds (distance) P-C4' energy: -133.909
flat angles C4'-P-C4' energy: -137.129
flat angles P-C4'-P energy: -83.465
tors. eta vs tors. theta energy: -130.761
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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1294.437444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.437444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.437444 (E_RNA)
where:
Base-Base interactions energy: -795.792
where: short stacking energy: -377.655
Base-Backbone interact. energy: 4.143
local terms energy: -502.788075
where:
bonds (distance) C4'-P energy: -123.901
bonds (distance) P-C4' energy: -130.408
flat angles C4'-P-C4' energy: -108.297
flat angles P-C4'-P energy: -74.433
tors. eta vs tors. theta energy: -65.750
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: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -965.788216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.788216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.788216 (E_RNA)
where:
Base-Base interactions energy: -544.619
where: short stacking energy: -274.919
Base-Backbone interact. energy: 1.797
local terms energy: -422.966596
where:
bonds (distance) C4'-P energy: -114.102
bonds (distance) P-C4' energy: -128.869
flat angles C4'-P-C4' energy: -107.019
flat angles P-C4'-P energy: -68.022
tors. eta vs tors. theta energy: -4.955
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: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -972.085128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.085128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.085128 (E_RNA)
where:
Base-Base interactions energy: -559.393
where: short stacking energy: -258.609
Base-Backbone interact. energy: 1.125
local terms energy: -413.816859
where:
bonds (distance) C4'-P energy: -115.173
bonds (distance) P-C4' energy: -116.358
flat angles C4'-P-C4' energy: -98.413
flat angles P-C4'-P energy: -47.181
tors. eta vs tors. theta energy: -36.691
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: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2583.695550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.695550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.695550 (E_RNA)
where:
Base-Base interactions energy: -1817.658
where: short stacking energy: -741.644
Base-Backbone interact. energy: -0.472
local terms energy: -765.565129
where:
bonds (distance) C4'-P energy: -143.087
bonds (distance) P-C4' energy: -146.779
flat angles C4'-P-C4' energy: -163.565
flat angles P-C4'-P energy: -110.636
tors. eta vs tors. theta energy: -201.498
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: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2489.803829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.803829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.803829 (E_RNA)
where:
Base-Base interactions energy: -1727.915
where: short stacking energy: -756.518
Base-Backbone interact. energy: -1.463
local terms energy: -760.425298
where:
bonds (distance) C4'-P energy: -141.593
bonds (distance) P-C4' energy: -134.719
flat angles C4'-P-C4' energy: -166.543
flat angles P-C4'-P energy: -113.419
tors. eta vs tors. theta energy: -204.152
Dist. restrs. and SS energy: 0.000 (S_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: 193
Temperature: 1.000000
Total energy: -2419.223598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.223598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.223598 (E_RNA)
where:
Base-Base interactions energy: -1671.705
where: short stacking energy: -688.526
Base-Backbone interact. energy: -5.562
local terms energy: -741.956752
where:
bonds (distance) C4'-P energy: -127.500
bonds (distance) P-C4' energy: -137.529
flat angles C4'-P-C4' energy: -164.518
flat angles P-C4'-P energy: -114.582
tors. eta vs tors. theta energy: -197.828
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: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2338.085514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.085514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.085514 (E_RNA)
where:
Base-Base interactions energy: -1628.063
where: short stacking energy: -669.534
Base-Backbone interact. energy: -1.956
local terms energy: -708.066848
where:
bonds (distance) C4'-P energy: -134.112
bonds (distance) P-C4' energy: -135.264
flat angles C4'-P-C4' energy: -147.788
flat angles P-C4'-P energy: -92.533
tors. eta vs tors. theta energy: -198.370
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: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2088.411760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.411760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.411760 (E_RNA)
where:
Base-Base interactions energy: -1409.488
where: short stacking energy: -617.911
Base-Backbone interact. energy: -0.489
local terms energy: -678.434427
where:
bonds (distance) C4'-P energy: -120.359
bonds (distance) P-C4' energy: -137.488
flat angles C4'-P-C4' energy: -142.467
flat angles P-C4'-P energy: -104.387
tors. eta vs tors. theta energy: -173.733
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: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1962.961643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.961643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.961643 (E_RNA)
where:
Base-Base interactions energy: -1329.788
where: short stacking energy: -581.940
Base-Backbone interact. energy: -3.928
local terms energy: -629.245652
where:
bonds (distance) C4'-P energy: -111.089
bonds (distance) P-C4' energy: -123.875
flat angles C4'-P-C4' energy: -137.910
flat angles P-C4'-P energy: -97.184
tors. eta vs tors. theta energy: -159.187
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: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1733.497632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.497632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.497632 (E_RNA)
where:
Base-Base interactions energy: -1178.402
where: short stacking energy: -545.905
Base-Backbone interact. energy: -0.514
local terms energy: -554.581613
where:
bonds (distance) C4'-P energy: -95.943
bonds (distance) P-C4' energy: -116.708
flat angles C4'-P-C4' energy: -143.348
flat angles P-C4'-P energy: -70.892
tors. eta vs tors. theta energy: -127.691
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: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1371.018769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.018769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.018769 (E_RNA)
where:
Base-Base interactions energy: -852.682
where: short stacking energy: -414.384
Base-Backbone interact. energy: 0.074
local terms energy: -518.410397
where:
bonds (distance) C4'-P energy: -116.778
bonds (distance) P-C4' energy: -116.722
flat angles C4'-P-C4' energy: -134.033
flat angles P-C4'-P energy: -66.779
tors. eta vs tors. theta energy: -84.098
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: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1017.730153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.730153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.730153 (E_RNA)
where:
Base-Base interactions energy: -567.298
where: short stacking energy: -295.315
Base-Backbone interact. energy: 1.892
local terms energy: -452.323903
where:
bonds (distance) C4'-P energy: -126.755
bonds (distance) P-C4' energy: -130.819
flat angles C4'-P-C4' energy: -107.953
flat angles P-C4'-P energy: -69.929
tors. eta vs tors. theta energy: -16.868
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: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -956.054884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.054884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.054884 (E_RNA)
where:
Base-Base interactions energy: -547.295
where: short stacking energy: -270.638
Base-Backbone interact. energy: -0.920
local terms energy: -407.840372
where:
bonds (distance) C4'-P energy: -111.055
bonds (distance) P-C4' energy: -128.054
flat angles C4'-P-C4' energy: -106.639
flat angles P-C4'-P energy: -55.038
tors. eta vs tors. theta energy: -7.054
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: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2581.299402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.299402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.299402 (E_RNA)
where:
Base-Base interactions energy: -1819.526
where: short stacking energy: -734.064
Base-Backbone interact. energy: 0.209
local terms energy: -761.982286
where:
bonds (distance) C4'-P energy: -131.331
bonds (distance) P-C4' energy: -152.846
flat angles C4'-P-C4' energy: -161.226
flat angles P-C4'-P energy: -110.396
tors. eta vs tors. theta energy: -206.183
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: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2463.789102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.789102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.789102 (E_RNA)
where:
Base-Base interactions energy: -1708.250
where: short stacking energy: -701.707
Base-Backbone interact. energy: 2.765
local terms energy: -758.303871
where:
bonds (distance) C4'-P energy: -139.238
bonds (distance) P-C4' energy: -154.127
flat angles C4'-P-C4' energy: -157.840
flat angles P-C4'-P energy: -115.707
tors. eta vs tors. theta energy: -191.393
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: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2376.687444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.687444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.687444 (E_RNA)
where:
Base-Base interactions energy: -1658.719
where: short stacking energy: -681.590
Base-Backbone interact. energy: 0.208
local terms energy: -718.176302
where:
bonds (distance) C4'-P energy: -137.932
bonds (distance) P-C4' energy: -135.280
flat angles C4'-P-C4' energy: -154.966
flat angles P-C4'-P energy: -103.751
tors. eta vs tors. theta energy: -186.248
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: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2309.254746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.254746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.254746 (E_RNA)
where:
Base-Base interactions energy: -1588.190
where: short stacking energy: -662.212
Base-Backbone interact. energy: -2.577
local terms energy: -718.487117
where:
bonds (distance) C4'-P energy: -129.083
bonds (distance) P-C4' energy: -135.880
flat angles C4'-P-C4' energy: -159.903
flat angles P-C4'-P energy: -100.478
tors. eta vs tors. theta energy: -193.143
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: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2100.542101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.542101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.542101 (E_RNA)
where:
Base-Base interactions energy: -1426.510
where: short stacking energy: -614.759
Base-Backbone interact. energy: 0.871
local terms energy: -674.903601
where:
bonds (distance) C4'-P energy: -124.692
bonds (distance) P-C4' energy: -135.456
flat angles C4'-P-C4' energy: -147.052
flat angles P-C4'-P energy: -84.660
tors. eta vs tors. theta energy: -183.044
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: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2026.794852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.794852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.794852 (E_RNA)
where:
Base-Base interactions energy: -1395.116
where: short stacking energy: -597.911
Base-Backbone interact. energy: -0.226
local terms energy: -631.452883
where:
bonds (distance) C4'-P energy: -126.611
bonds (distance) P-C4' energy: -132.154
flat angles C4'-P-C4' energy: -137.023
flat angles P-C4'-P energy: -74.803
tors. eta vs tors. theta energy: -160.861
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: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1771.455491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.455491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.455491 (E_RNA)
where:
Base-Base interactions energy: -1167.698
where: short stacking energy: -497.159
Base-Backbone interact. energy: -3.637
local terms energy: -600.120483
where:
bonds (distance) C4'-P energy: -113.341
bonds (distance) P-C4' energy: -147.809
flat angles C4'-P-C4' energy: -125.186
flat angles P-C4'-P energy: -86.407
tors. eta vs tors. theta energy: -127.377
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: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1407.731963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.731963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.731963 (E_RNA)
where:
Base-Base interactions energy: -861.855
where: short stacking energy: -404.545
Base-Backbone interact. energy: 2.161
local terms energy: -548.038438
where:
bonds (distance) C4'-P energy: -129.454
bonds (distance) P-C4' energy: -122.729
flat angles C4'-P-C4' energy: -146.940
flat angles P-C4'-P energy: -72.655
tors. eta vs tors. theta energy: -76.261
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: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1057.592936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.592936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.592936 (E_RNA)
where:
Base-Base interactions energy: -597.405
where: short stacking energy: -294.402
Base-Backbone interact. energy: -1.720
local terms energy: -458.468597
where:
bonds (distance) C4'-P energy: -136.046
bonds (distance) P-C4' energy: -111.193
flat angles C4'-P-C4' energy: -121.446
flat angles P-C4'-P energy: -52.799
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: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -1025.259385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.259385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.259385 (E_RNA)
where:
Base-Base interactions energy: -582.501
where: short stacking energy: -280.508
Base-Backbone interact. energy: -1.838
local terms energy: -440.920572
where:
bonds (distance) C4'-P energy: -107.912
bonds (distance) P-C4' energy: -126.625
flat angles C4'-P-C4' energy: -124.603
flat angles P-C4'-P energy: -53.699
tors. eta vs tors. theta energy: -28.081
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: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2594.820063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.820063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.820063 (E_RNA)
where:
Base-Base interactions energy: -1806.476
where: short stacking energy: -720.998
Base-Backbone interact. energy: 0.626
local terms energy: -788.970347
where:
bonds (distance) C4'-P energy: -155.019
bonds (distance) P-C4' energy: -156.114
flat angles C4'-P-C4' energy: -168.476
flat angles P-C4'-P energy: -102.833
tors. eta vs tors. theta energy: -206.528
Dist. restrs. and SS energy: 0.000 (S_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: 195
Temperature: 0.950000
Total energy: -2499.902786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.902786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.902786 (E_RNA)
where:
Base-Base interactions energy: -1732.815
where: short stacking energy: -729.300
Base-Backbone interact. energy: -0.891
local terms energy: -766.196041
where:
bonds (distance) C4'-P energy: -130.005
bonds (distance) P-C4' energy: -156.706
flat angles C4'-P-C4' energy: -158.354
flat angles P-C4'-P energy: -114.150
tors. eta vs tors. theta energy: -206.980
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: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2394.647741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.647741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.647741 (E_RNA)
where:
Base-Base interactions energy: -1680.740
where: short stacking energy: -692.627
Base-Backbone interact. energy: -2.582
local terms energy: -711.325394
where:
bonds (distance) C4'-P energy: -139.841
bonds (distance) P-C4' energy: -123.421
flat angles C4'-P-C4' energy: -153.064
flat angles P-C4'-P energy: -99.934
tors. eta vs tors. theta energy: -195.066
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: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2330.878416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.878416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.878416 (E_RNA)
where:
Base-Base interactions energy: -1597.470
where: short stacking energy: -675.298
Base-Backbone interact. energy: -2.496
local terms energy: -730.911575
where:
bonds (distance) C4'-P energy: -132.282
bonds (distance) P-C4' energy: -134.587
flat angles C4'-P-C4' energy: -166.946
flat angles P-C4'-P energy: -104.011
tors. eta vs tors. theta energy: -193.085
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: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2073.333510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.333510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.333510 (E_RNA)
where:
Base-Base interactions energy: -1391.525
where: short stacking energy: -616.553
Base-Backbone interact. energy: 2.272
local terms energy: -684.081392
where:
bonds (distance) C4'-P energy: -119.324
bonds (distance) P-C4' energy: -127.786
flat angles C4'-P-C4' energy: -142.703
flat angles P-C4'-P energy: -114.869
tors. eta vs tors. theta energy: -179.400
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: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2038.302675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.302675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.302675 (E_RNA)
where:
Base-Base interactions energy: -1374.047
where: short stacking energy: -589.451
Base-Backbone interact. energy: -1.377
local terms energy: -662.878975
where:
bonds (distance) C4'-P energy: -117.356
bonds (distance) P-C4' energy: -139.657
flat angles C4'-P-C4' energy: -146.800
flat angles P-C4'-P energy: -93.279
tors. eta vs tors. theta energy: -165.787
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: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1744.703878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.703878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.703878 (E_RNA)
where:
Base-Base interactions energy: -1175.261
where: short stacking energy: -502.019
Base-Backbone interact. energy: -2.481
local terms energy: -566.962506
where:
bonds (distance) C4'-P energy: -110.276
bonds (distance) P-C4' energy: -133.994
flat angles C4'-P-C4' energy: -123.100
flat angles P-C4'-P energy: -89.089
tors. eta vs tors. theta energy: -110.504
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: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1366.563718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.563718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.563718 (E_RNA)
where:
Base-Base interactions energy: -845.317
where: short stacking energy: -400.374
Base-Backbone interact. energy: 3.612
local terms energy: -524.858582
where:
bonds (distance) C4'-P energy: -125.617
bonds (distance) P-C4' energy: -113.172
flat angles C4'-P-C4' energy: -122.711
flat angles P-C4'-P energy: -83.796
tors. eta vs tors. theta energy: -79.563
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: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1071.315793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.315793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.315793 (E_RNA)
where:
Base-Base interactions energy: -616.688
where: short stacking energy: -318.921
Base-Backbone interact. energy: 3.108
local terms energy: -457.736208
where:
bonds (distance) C4'-P energy: -131.163
bonds (distance) P-C4' energy: -118.527
flat angles C4'-P-C4' energy: -109.936
flat angles P-C4'-P energy: -63.397
tors. eta vs tors. theta energy: -34.713
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: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1061.595042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.595042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.595042 (E_RNA)
where:
Base-Base interactions energy: -612.316
where: short stacking energy: -301.571
Base-Backbone interact. energy: -1.381
local terms energy: -447.898008
where:
bonds (distance) C4'-P energy: -115.296
bonds (distance) P-C4' energy: -104.351
flat angles C4'-P-C4' energy: -117.839
flat angles P-C4'-P energy: -74.499
tors. eta vs tors. theta energy: -35.913
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: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2608.302207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.302207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.302207 (E_RNA)
where:
Base-Base interactions energy: -1795.315
where: short stacking energy: -737.296
Base-Backbone interact. energy: -3.659
local terms energy: -809.328653
where:
bonds (distance) C4'-P energy: -144.062
bonds (distance) P-C4' energy: -154.180
flat angles C4'-P-C4' energy: -168.861
flat angles P-C4'-P energy: -119.641
tors. eta vs tors. theta energy: -222.585
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: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2462.558443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.558443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.558443 (E_RNA)
where:
Base-Base interactions energy: -1681.891
where: short stacking energy: -699.443
Base-Backbone interact. energy: -2.036
local terms energy: -778.631298
where:
bonds (distance) C4'-P energy: -144.387
bonds (distance) P-C4' energy: -151.937
flat angles C4'-P-C4' energy: -165.755
flat angles P-C4'-P energy: -111.014
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: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2405.760475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.760475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.760475 (E_RNA)
where:
Base-Base interactions energy: -1679.160
where: short stacking energy: -706.278
Base-Backbone interact. energy: 1.251
local terms energy: -727.851502
where:
bonds (distance) C4'-P energy: -126.375
bonds (distance) P-C4' energy: -136.382
flat angles C4'-P-C4' energy: -154.111
flat angles P-C4'-P energy: -103.327
tors. eta vs tors. theta energy: -207.656
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: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2324.923951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.923951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.923951 (E_RNA)
where:
Base-Base interactions energy: -1607.038
where: short stacking energy: -683.228
Base-Backbone interact. energy: 6.262
local terms energy: -724.147271
where:
bonds (distance) C4'-P energy: -128.416
bonds (distance) P-C4' energy: -142.893
flat angles C4'-P-C4' energy: -160.175
flat angles P-C4'-P energy: -111.623
tors. eta vs tors. theta energy: -181.041
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: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2132.631850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.631850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.631850 (E_RNA)
where:
Base-Base interactions energy: -1431.360
where: short stacking energy: -638.107
Base-Backbone interact. energy: -0.397
local terms energy: -700.875491
where:
bonds (distance) C4'-P energy: -137.695
bonds (distance) P-C4' energy: -133.115
flat angles C4'-P-C4' energy: -154.691
flat angles P-C4'-P energy: -92.753
tors. eta vs tors. theta energy: -182.622
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: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2078.303157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.303157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.303157 (E_RNA)
where:
Base-Base interactions energy: -1431.122
where: short stacking energy: -615.795
Base-Backbone interact. energy: -0.034
local terms energy: -647.146342
where:
bonds (distance) C4'-P energy: -129.914
bonds (distance) P-C4' energy: -122.722
flat angles C4'-P-C4' energy: -148.213
flat angles P-C4'-P energy: -85.728
tors. eta vs tors. theta energy: -160.569
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: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1684.600424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.600424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.600424 (E_RNA)
where:
Base-Base interactions energy: -1092.285
where: short stacking energy: -496.714
Base-Backbone interact. energy: -1.651
local terms energy: -590.665117
where:
bonds (distance) C4'-P energy: -119.224
bonds (distance) P-C4' energy: -127.446
flat angles C4'-P-C4' energy: -140.470
flat angles P-C4'-P energy: -88.520
tors. eta vs tors. theta energy: -115.005
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: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1335.112422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.112422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.112422 (E_RNA)
where:
Base-Base interactions energy: -853.024
where: short stacking energy: -411.338
Base-Backbone interact. energy: -1.996
local terms energy: -480.091932
where:
bonds (distance) C4'-P energy: -108.839
bonds (distance) P-C4' energy: -119.856
flat angles C4'-P-C4' energy: -113.701
flat angles P-C4'-P energy: -60.358
tors. eta vs tors. theta energy: -77.339
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: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1110.183099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.183099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.183099 (E_RNA)
where:
Base-Base interactions energy: -636.807
where: short stacking energy: -301.821
Base-Backbone interact. energy: -0.572
local terms energy: -472.804583
where:
bonds (distance) C4'-P energy: -109.268
bonds (distance) P-C4' energy: -110.940
flat angles C4'-P-C4' energy: -125.787
flat angles P-C4'-P energy: -87.252
tors. eta vs tors. theta energy: -39.558
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: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -998.043684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.043684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.043684 (E_RNA)
where:
Base-Base interactions energy: -599.984
where: short stacking energy: -291.029
Base-Backbone interact. energy: 0.781
local terms energy: -398.840562
where:
bonds (distance) C4'-P energy: -107.970
bonds (distance) P-C4' energy: -115.912
flat angles C4'-P-C4' energy: -101.381
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -34.652
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: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2578.945702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.945702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.945702 (E_RNA)
where:
Base-Base interactions energy: -1807.618
where: short stacking energy: -730.763
Base-Backbone interact. energy: 0.426
local terms energy: -771.754094
where:
bonds (distance) C4'-P energy: -145.220
bonds (distance) P-C4' energy: -144.207
flat angles C4'-P-C4' energy: -167.688
flat angles P-C4'-P energy: -108.522
tors. eta vs tors. theta energy: -206.118
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: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2479.104235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.104235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.104235 (E_RNA)
where:
Base-Base interactions energy: -1712.293
where: short stacking energy: -697.262
Base-Backbone interact. energy: -3.695
local terms energy: -763.116356
where:
bonds (distance) C4'-P energy: -130.341
bonds (distance) P-C4' energy: -154.244
flat angles C4'-P-C4' energy: -158.008
flat angles P-C4'-P energy: -111.679
tors. eta vs tors. theta energy: -208.846
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: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2410.184434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.184434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.184434 (E_RNA)
where:
Base-Base interactions energy: -1669.202
where: short stacking energy: -700.846
Base-Backbone interact. energy: -2.856
local terms energy: -738.127283
where:
bonds (distance) C4'-P energy: -138.295
bonds (distance) P-C4' energy: -137.157
flat angles C4'-P-C4' energy: -152.247
flat angles P-C4'-P energy: -107.533
tors. eta vs tors. theta energy: -202.894
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: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2311.249033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.249033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.249033 (E_RNA)
where:
Base-Base interactions energy: -1588.370
where: short stacking energy: -646.006
Base-Backbone interact. energy: -4.368
local terms energy: -718.510892
where:
bonds (distance) C4'-P energy: -123.574
bonds (distance) P-C4' energy: -147.221
flat angles C4'-P-C4' energy: -161.458
flat angles P-C4'-P energy: -98.563
tors. eta vs tors. theta energy: -187.695
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: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2122.648082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.648082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.648082 (E_RNA)
where:
Base-Base interactions energy: -1449.395
where: short stacking energy: -621.827
Base-Backbone interact. energy: -1.261
local terms energy: -671.991948
where:
bonds (distance) C4'-P energy: -128.795
bonds (distance) P-C4' energy: -138.854
flat angles C4'-P-C4' energy: -137.409
flat angles P-C4'-P energy: -78.401
tors. eta vs tors. theta energy: -188.532
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: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2030.535875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.535875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.535875 (E_RNA)
where:
Base-Base interactions energy: -1356.748
where: short stacking energy: -609.812
Base-Backbone interact. energy: -2.183
local terms energy: -671.605323
where:
bonds (distance) C4'-P energy: -132.956
bonds (distance) P-C4' energy: -130.829
flat angles C4'-P-C4' energy: -145.948
flat angles P-C4'-P energy: -101.312
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: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1663.108060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.108060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.108060 (E_RNA)
where:
Base-Base interactions energy: -1096.837
where: short stacking energy: -484.764
Base-Backbone interact. energy: -2.611
local terms energy: -563.659711
where:
bonds (distance) C4'-P energy: -117.697
bonds (distance) P-C4' energy: -133.254
flat angles C4'-P-C4' energy: -117.473
flat angles P-C4'-P energy: -85.042
tors. eta vs tors. theta energy: -110.193
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: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1374.912337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.912337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.912337 (E_RNA)
where:
Base-Base interactions energy: -862.317
where: short stacking energy: -425.547
Base-Backbone interact. energy: -0.479
local terms energy: -512.116717
where:
bonds (distance) C4'-P energy: -117.312
bonds (distance) P-C4' energy: -108.332
flat angles C4'-P-C4' energy: -129.172
flat angles P-C4'-P energy: -71.122
tors. eta vs tors. theta energy: -86.178
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: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1133.847773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.847773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.847773 (E_RNA)
where:
Base-Base interactions energy: -667.341
where: short stacking energy: -333.912
Base-Backbone interact. energy: -0.219
local terms energy: -466.287587
where:
bonds (distance) C4'-P energy: -109.978
bonds (distance) P-C4' energy: -144.737
flat angles C4'-P-C4' energy: -117.045
flat angles P-C4'-P energy: -56.518
tors. eta vs tors. theta energy: -38.010
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: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -902.440823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.440823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.440823 (E_RNA)
where:
Base-Base interactions energy: -469.494
where: short stacking energy: -255.194
Base-Backbone interact. energy: -1.550
local terms energy: -431.396622
where:
bonds (distance) C4'-P energy: -126.204
bonds (distance) P-C4' energy: -117.916
flat angles C4'-P-C4' energy: -99.310
flat angles P-C4'-P energy: -68.265
tors. eta vs tors. theta energy: -19.702
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: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2597.552712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.552712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.552712 (E_RNA)
where:
Base-Base interactions energy: -1818.490
where: short stacking energy: -729.355
Base-Backbone interact. energy: 2.221
local terms energy: -781.284107
where:
bonds (distance) C4'-P energy: -146.323
bonds (distance) P-C4' energy: -150.644
flat angles C4'-P-C4' energy: -157.205
flat angles P-C4'-P energy: -113.447
tors. eta vs tors. theta energy: -213.666
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: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2487.196392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.196392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.196392 (E_RNA)
where:
Base-Base interactions energy: -1711.447
where: short stacking energy: -748.261
Base-Backbone interact. energy: -2.961
local terms energy: -772.788995
where:
bonds (distance) C4'-P energy: -134.866
bonds (distance) P-C4' energy: -151.703
flat angles C4'-P-C4' energy: -161.393
flat angles P-C4'-P energy: -113.228
tors. eta vs tors. theta energy: -211.600
Dist. restrs. and SS energy: 0.000 (S_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: 198
Temperature: 1.000000
Total energy: -2354.199794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.199794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.199794 (E_RNA)
where:
Base-Base interactions energy: -1657.445
where: short stacking energy: -670.216
Base-Backbone interact. energy: -1.999
local terms energy: -694.755729
where:
bonds (distance) C4'-P energy: -128.800
bonds (distance) P-C4' energy: -131.623
flat angles C4'-P-C4' energy: -152.380
flat angles P-C4'-P energy: -92.590
tors. eta vs tors. theta energy: -189.362
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2284.215682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.215682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.215682 (E_RNA)
where:
Base-Base interactions energy: -1583.463
where: short stacking energy: -665.369
Base-Backbone interact. energy: -2.134
local terms energy: -698.618414
where:
bonds (distance) C4'-P energy: -123.217
bonds (distance) P-C4' energy: -126.656
flat angles C4'-P-C4' energy: -156.363
flat angles P-C4'-P energy: -107.501
tors. eta vs tors. theta energy: -184.882
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: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2080.812702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.812702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.812702 (E_RNA)
where:
Base-Base interactions energy: -1346.906
where: short stacking energy: -627.435
Base-Backbone interact. energy: -2.766
local terms energy: -731.140359
where:
bonds (distance) C4'-P energy: -131.951
bonds (distance) P-C4' energy: -141.233
flat angles C4'-P-C4' energy: -163.095
flat angles P-C4'-P energy: -103.436
tors. eta vs tors. theta energy: -191.426
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: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2070.065578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.065578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.065578 (E_RNA)
where:
Base-Base interactions energy: -1398.690
where: short stacking energy: -622.866
Base-Backbone interact. energy: -4.258
local terms energy: -667.117538
where:
bonds (distance) C4'-P energy: -131.037
bonds (distance) P-C4' energy: -133.066
flat angles C4'-P-C4' energy: -145.629
flat angles P-C4'-P energy: -98.494
tors. eta vs tors. theta energy: -158.892
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: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1673.823021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.823021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.823021 (E_RNA)
where:
Base-Base interactions energy: -1106.659
where: short stacking energy: -475.229
Base-Backbone interact. energy: 0.814
local terms energy: -567.978502
where:
bonds (distance) C4'-P energy: -134.376
bonds (distance) P-C4' energy: -137.456
flat angles C4'-P-C4' energy: -112.434
flat angles P-C4'-P energy: -79.978
tors. eta vs tors. theta energy: -103.735
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: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1351.497555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.497555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.497555 (E_RNA)
where:
Base-Base interactions energy: -837.753
where: short stacking energy: -402.895
Base-Backbone interact. energy: -0.562
local terms energy: -513.183204
where:
bonds (distance) C4'-P energy: -122.044
bonds (distance) P-C4' energy: -126.433
flat angles C4'-P-C4' energy: -119.173
flat angles P-C4'-P energy: -62.262
tors. eta vs tors. theta energy: -83.272
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: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1134.729451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.729451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.729451 (E_RNA)
where:
Base-Base interactions energy: -688.675
where: short stacking energy: -319.718
Base-Backbone interact. energy: -0.079
local terms energy: -445.976071
where:
bonds (distance) C4'-P energy: -109.339
bonds (distance) P-C4' energy: -125.991
flat angles C4'-P-C4' energy: -113.579
flat angles P-C4'-P energy: -53.820
tors. eta vs tors. theta energy: -43.246
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: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -859.248009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.248009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.248009 (E_RNA)
where:
Base-Base interactions energy: -469.858
where: short stacking energy: -261.182
Base-Backbone interact. energy: 4.685
local terms energy: -394.074449
where:
bonds (distance) C4'-P energy: -114.371
bonds (distance) P-C4' energy: -105.918
flat angles C4'-P-C4' energy: -99.986
flat angles P-C4'-P energy: -61.290
tors. eta vs tors. theta energy: -12.510
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: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2570.151223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.151223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.151223 (E_RNA)
where:
Base-Base interactions energy: -1810.490
where: short stacking energy: -714.614
Base-Backbone interact. energy: -3.070
local terms energy: -756.591265
where:
bonds (distance) C4'-P energy: -155.343
bonds (distance) P-C4' energy: -139.978
flat angles C4'-P-C4' energy: -157.782
flat angles P-C4'-P energy: -104.535
tors. eta vs tors. theta energy: -198.953
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: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2493.508832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.508832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.508832 (E_RNA)
where:
Base-Base interactions energy: -1704.274
where: short stacking energy: -716.245
Base-Backbone interact. energy: -3.889
local terms energy: -785.346128
where:
bonds (distance) C4'-P energy: -152.205
bonds (distance) P-C4' energy: -136.515
flat angles C4'-P-C4' energy: -176.356
flat angles P-C4'-P energy: -108.814
tors. eta vs tors. theta energy: -211.456
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: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2392.038930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.038930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.038930 (E_RNA)
where:
Base-Base interactions energy: -1680.505
where: short stacking energy: -708.583
Base-Backbone interact. energy: -1.408
local terms energy: -710.125829
where:
bonds (distance) C4'-P energy: -140.818
bonds (distance) P-C4' energy: -125.080
flat angles C4'-P-C4' energy: -145.227
flat angles P-C4'-P energy: -103.168
tors. eta vs tors. theta energy: -195.833
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: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2271.617934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.617934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.617934 (E_RNA)
where:
Base-Base interactions energy: -1565.926
where: short stacking energy: -628.178
Base-Backbone interact. energy: -3.370
local terms energy: -702.321923
where:
bonds (distance) C4'-P energy: -132.642
bonds (distance) P-C4' energy: -140.040
flat angles C4'-P-C4' energy: -140.967
flat angles P-C4'-P energy: -110.553
tors. eta vs tors. theta energy: -178.119
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2161.430633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.430633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.430633 (E_RNA)
where:
Base-Base interactions energy: -1466.197
where: short stacking energy: -644.234
Base-Backbone interact. energy: -2.001
local terms energy: -693.233352
where:
bonds (distance) C4'-P energy: -109.415
bonds (distance) P-C4' energy: -148.122
flat angles C4'-P-C4' energy: -155.280
flat angles P-C4'-P energy: -80.734
tors. eta vs tors. theta energy: -199.681
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: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2075.330976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.330976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.330976 (E_RNA)
where:
Base-Base interactions energy: -1416.622
where: short stacking energy: -617.417
Base-Backbone interact. energy: -2.552
local terms energy: -656.157021
where:
bonds (distance) C4'-P energy: -130.444
bonds (distance) P-C4' energy: -111.381
flat angles C4'-P-C4' energy: -137.671
flat angles P-C4'-P energy: -112.843
tors. eta vs tors. theta energy: -163.818
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: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1683.804820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.804820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.804820 (E_RNA)
where:
Base-Base interactions energy: -1114.487
where: short stacking energy: -497.731
Base-Backbone interact. energy: -2.449
local terms energy: -566.869469
where:
bonds (distance) C4'-P energy: -116.860
bonds (distance) P-C4' energy: -133.558
flat angles C4'-P-C4' energy: -112.669
flat angles P-C4'-P energy: -77.442
tors. eta vs tors. theta energy: -126.340
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: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1367.402411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.402411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.402411 (E_RNA)
where:
Base-Base interactions energy: -864.431
where: short stacking energy: -395.065
Base-Backbone interact. energy: -2.038
local terms energy: -500.933323
where:
bonds (distance) C4'-P energy: -105.232
bonds (distance) P-C4' energy: -108.149
flat angles C4'-P-C4' energy: -128.655
flat angles P-C4'-P energy: -86.320
tors. eta vs tors. theta energy: -72.577
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: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1062.269877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.269877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.269877 (E_RNA)
where:
Base-Base interactions energy: -575.861
where: short stacking energy: -299.503
Base-Backbone interact. energy: 3.559
local terms energy: -489.968422
where:
bonds (distance) C4'-P energy: -118.653
bonds (distance) P-C4' energy: -125.331
flat angles C4'-P-C4' energy: -132.913
flat angles P-C4'-P energy: -81.471
tors. eta vs tors. theta energy: -31.601
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: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -749.028419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.028419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.028419 (E_RNA)
where:
Base-Base interactions energy: -402.156
where: short stacking energy: -232.436
Base-Backbone interact. energy: 8.056
local terms energy: -354.928779
where:
bonds (distance) C4'-P energy: -80.438
bonds (distance) P-C4' energy: -123.180
flat angles C4'-P-C4' energy: -103.432
flat angles P-C4'-P energy: -53.429
tors. eta vs tors. theta energy: 5.549
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: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2593.644258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.644258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.644258 (E_RNA)
where:
Base-Base interactions energy: -1828.142
where: short stacking energy: -762.394
Base-Backbone interact. energy: 0.174
local terms energy: -765.675972
where:
bonds (distance) C4'-P energy: -138.856
bonds (distance) P-C4' energy: -142.309
flat angles C4'-P-C4' energy: -169.368
flat angles P-C4'-P energy: -103.055
tors. eta vs tors. theta energy: -212.088
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: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2451.927762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.927762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.927762 (E_RNA)
where:
Base-Base interactions energy: -1671.922
where: short stacking energy: -728.412
Base-Backbone interact. energy: -1.307
local terms energy: -778.698389
where:
bonds (distance) C4'-P energy: -149.509
bonds (distance) P-C4' energy: -158.270
flat angles C4'-P-C4' energy: -152.984
flat angles P-C4'-P energy: -112.816
tors. eta vs tors. theta energy: -205.120
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: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2370.352985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.352985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.352985 (E_RNA)
where:
Base-Base interactions energy: -1605.302
where: short stacking energy: -661.204
Base-Backbone interact. energy: -2.650
local terms energy: -762.401193
where:
bonds (distance) C4'-P energy: -136.609
bonds (distance) P-C4' energy: -150.280
flat angles C4'-P-C4' energy: -161.035
flat angles P-C4'-P energy: -116.160
tors. eta vs tors. theta energy: -198.317
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: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2293.941942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.941942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.941942 (E_RNA)
where:
Base-Base interactions energy: -1594.565
where: short stacking energy: -652.500
Base-Backbone interact. energy: -4.165
local terms energy: -695.212113
where:
bonds (distance) C4'-P energy: -128.292
bonds (distance) P-C4' energy: -136.994
flat angles C4'-P-C4' energy: -151.237
flat angles P-C4'-P energy: -110.134
tors. eta vs tors. theta energy: -168.556
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: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2191.957539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.957539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.957539 (E_RNA)
where:
Base-Base interactions energy: -1482.389
where: short stacking energy: -647.575
Base-Backbone interact. energy: -2.180
local terms energy: -707.388180
where:
bonds (distance) C4'-P energy: -129.145
bonds (distance) P-C4' energy: -137.315
flat angles C4'-P-C4' energy: -149.054
flat angles P-C4'-P energy: -101.421
tors. eta vs tors. theta energy: -190.453
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: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2102.609526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.609526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.609526 (E_RNA)
where:
Base-Base interactions energy: -1400.172
where: short stacking energy: -633.512
Base-Backbone interact. energy: -1.590
local terms energy: -700.847721
where:
bonds (distance) C4'-P energy: -118.657
bonds (distance) P-C4' energy: -136.501
flat angles C4'-P-C4' energy: -153.580
flat angles P-C4'-P energy: -105.359
tors. eta vs tors. theta energy: -186.751
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: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1664.778989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.778989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.778989 (E_RNA)
where:
Base-Base interactions energy: -1106.942
where: short stacking energy: -460.932
Base-Backbone interact. energy: -4.726
local terms energy: -553.111310
where:
bonds (distance) C4'-P energy: -115.949
bonds (distance) P-C4' energy: -131.918
flat angles C4'-P-C4' energy: -124.662
flat angles P-C4'-P energy: -82.722
tors. eta vs tors. theta energy: -97.860
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: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1368.950506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.950506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.950506 (E_RNA)
where:
Base-Base interactions energy: -839.857
where: short stacking energy: -401.994
Base-Backbone interact. energy: -2.736
local terms energy: -526.357012
where:
bonds (distance) C4'-P energy: -112.782
bonds (distance) P-C4' energy: -131.425
flat angles C4'-P-C4' energy: -125.113
flat angles P-C4'-P energy: -73.306
tors. eta vs tors. theta energy: -83.731
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: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1096.575970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.575970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.575970 (E_RNA)
where:
Base-Base interactions energy: -611.380
where: short stacking energy: -314.968
Base-Backbone interact. energy: 4.388
local terms energy: -489.584634
where:
bonds (distance) C4'-P energy: -110.896
bonds (distance) P-C4' energy: -134.512
flat angles C4'-P-C4' energy: -124.616
flat angles P-C4'-P energy: -70.900
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: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -753.522708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.522708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.522708 (E_RNA)
where:
Base-Base interactions energy: -394.912
where: short stacking energy: -204.877
Base-Backbone interact. energy: -1.753
local terms energy: -356.857748
where:
bonds (distance) C4'-P energy: -101.742
bonds (distance) P-C4' energy: -116.126
flat angles C4'-P-C4' energy: -109.574
flat angles P-C4'-P energy: -39.986
tors. eta vs tors. theta energy: 10.570
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: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2591.771661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.771661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.771661 (E_RNA)
where:
Base-Base interactions energy: -1810.091
where: short stacking energy: -739.128
Base-Backbone interact. energy: -2.350
local terms energy: -779.330184
where:
bonds (distance) C4'-P energy: -148.135
bonds (distance) P-C4' energy: -150.954
flat angles C4'-P-C4' energy: -160.596
flat angles P-C4'-P energy: -112.349
tors. eta vs tors. theta energy: -207.296
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: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2470.680031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.680031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.680031 (E_RNA)
where:
Base-Base interactions energy: -1696.380
where: short stacking energy: -730.576
Base-Backbone interact. energy: -3.525
local terms energy: -770.775427
where:
bonds (distance) C4'-P energy: -144.694
bonds (distance) P-C4' energy: -142.973
flat angles C4'-P-C4' energy: -172.186
flat angles P-C4'-P energy: -108.014
tors. eta vs tors. theta energy: -202.909
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: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2364.976479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.976479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.976479 (E_RNA)
where:
Base-Base interactions energy: -1652.423
where: short stacking energy: -711.354
Base-Backbone interact. energy: 2.931
local terms energy: -715.485155
where:
bonds (distance) C4'-P energy: -126.248
bonds (distance) P-C4' energy: -142.048
flat angles C4'-P-C4' energy: -150.658
flat angles P-C4'-P energy: -101.767
tors. eta vs tors. theta energy: -194.764
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: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2269.315582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.315582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.315582 (E_RNA)
where:
Base-Base interactions energy: -1575.244
where: short stacking energy: -658.934
Base-Backbone interact. energy: -8.281
local terms energy: -685.790477
where:
bonds (distance) C4'-P energy: -119.139
bonds (distance) P-C4' energy: -127.166
flat angles C4'-P-C4' energy: -164.618
flat angles P-C4'-P energy: -103.182
tors. eta vs tors. theta energy: -171.685
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: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2190.902123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.902123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.902123 (E_RNA)
where:
Base-Base interactions energy: -1489.144
where: short stacking energy: -664.065
Base-Backbone interact. energy: -2.133
local terms energy: -699.625073
where:
bonds (distance) C4'-P energy: -130.198
bonds (distance) P-C4' energy: -115.438
flat angles C4'-P-C4' energy: -151.432
flat angles P-C4'-P energy: -99.756
tors. eta vs tors. theta energy: -202.801
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: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2103.160392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.160392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.160392 (E_RNA)
where:
Base-Base interactions energy: -1436.509
where: short stacking energy: -614.105
Base-Backbone interact. energy: 0.739
local terms energy: -667.391083
where:
bonds (distance) C4'-P energy: -132.976
bonds (distance) P-C4' energy: -127.242
flat angles C4'-P-C4' energy: -144.421
flat angles P-C4'-P energy: -90.651
tors. eta vs tors. theta energy: -172.102
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: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1681.733848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.733848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.733848 (E_RNA)
where:
Base-Base interactions energy: -1071.521
where: short stacking energy: -487.629
Base-Backbone interact. energy: -2.268
local terms energy: -607.945437
where:
bonds (distance) C4'-P energy: -138.960
bonds (distance) P-C4' energy: -125.381
flat angles C4'-P-C4' energy: -132.743
flat angles P-C4'-P energy: -83.813
tors. eta vs tors. theta energy: -127.048
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: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1383.612092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.612092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.612092 (E_RNA)
where:
Base-Base interactions energy: -903.767
where: short stacking energy: -400.060
Base-Backbone interact. energy: 3.999
local terms energy: -483.844334
where:
bonds (distance) C4'-P energy: -105.518
bonds (distance) P-C4' energy: -113.891
flat angles C4'-P-C4' energy: -119.362
flat angles P-C4'-P energy: -77.679
tors. eta vs tors. theta energy: -67.393
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: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1179.716962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.716962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.716962 (E_RNA)
where:
Base-Base interactions energy: -728.344
where: short stacking energy: -339.362
Base-Backbone interact. energy: 3.042
local terms energy: -454.414979
where:
bonds (distance) C4'-P energy: -126.475
bonds (distance) P-C4' energy: -115.196
flat angles C4'-P-C4' energy: -105.561
flat angles P-C4'-P energy: -62.433
tors. eta vs tors. theta energy: -44.750
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: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -797.633575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.633575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.633575 (E_RNA)
where:
Base-Base interactions energy: -391.376
where: short stacking energy: -206.962
Base-Backbone interact. energy: 0.745
local terms energy: -407.002620
where:
bonds (distance) C4'-P energy: -120.777
bonds (distance) P-C4' energy: -134.280
flat angles C4'-P-C4' energy: -111.451
flat angles P-C4'-P energy: -60.191
tors. eta vs tors. theta energy: 19.697
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: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2586.483211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.483211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.483211 (E_RNA)
where:
Base-Base interactions energy: -1815.276
where: short stacking energy: -713.010
Base-Backbone interact. energy: -3.281
local terms energy: -767.925967
where:
bonds (distance) C4'-P energy: -141.425
bonds (distance) P-C4' energy: -145.749
flat angles C4'-P-C4' energy: -166.297
flat angles P-C4'-P energy: -106.320
tors. eta vs tors. theta energy: -208.134
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: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2493.293039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.293039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.293039 (E_RNA)
where:
Base-Base interactions energy: -1707.484
where: short stacking energy: -739.322
Base-Backbone interact. energy: -2.299
local terms energy: -783.510173
where:
bonds (distance) C4'-P energy: -140.849
bonds (distance) P-C4' energy: -145.473
flat angles C4'-P-C4' energy: -168.124
flat angles P-C4'-P energy: -117.824
tors. eta vs tors. theta energy: -211.241
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: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2384.401063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.401063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.401063 (E_RNA)
where:
Base-Base interactions energy: -1627.814
where: short stacking energy: -712.013
Base-Backbone interact. energy: -1.710
local terms energy: -754.876969
where:
bonds (distance) C4'-P energy: -148.477
bonds (distance) P-C4' energy: -137.895
flat angles C4'-P-C4' energy: -175.929
flat angles P-C4'-P energy: -95.344
tors. eta vs tors. theta energy: -197.233
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: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2346.319621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.319621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.319621 (E_RNA)
where:
Base-Base interactions energy: -1625.068
where: short stacking energy: -699.962
Base-Backbone interact. energy: 1.496
local terms energy: -722.747658
where:
bonds (distance) C4'-P energy: -136.263
bonds (distance) P-C4' energy: -142.644
flat angles C4'-P-C4' energy: -154.304
flat angles P-C4'-P energy: -98.837
tors. eta vs tors. theta energy: -190.699
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: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2158.702066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.702066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.702066 (E_RNA)
where:
Base-Base interactions energy: -1471.497
where: short stacking energy: -644.131
Base-Backbone interact. energy: 0.061
local terms energy: -687.265737
where:
bonds (distance) C4'-P energy: -129.985
bonds (distance) P-C4' energy: -132.380
flat angles C4'-P-C4' energy: -145.533
flat angles P-C4'-P energy: -107.001
tors. eta vs tors. theta energy: -172.366
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: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2095.317016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.317016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.317016 (E_RNA)
where:
Base-Base interactions energy: -1437.663
where: short stacking energy: -638.244
Base-Backbone interact. energy: -0.771
local terms energy: -656.883159
where:
bonds (distance) C4'-P energy: -129.853
bonds (distance) P-C4' energy: -119.996
flat angles C4'-P-C4' energy: -139.017
flat angles P-C4'-P energy: -87.121
tors. eta vs tors. theta energy: -180.896
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: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1703.516930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.516930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.516930 (E_RNA)
where:
Base-Base interactions energy: -1122.226
where: short stacking energy: -515.095
Base-Backbone interact. energy: -4.008
local terms energy: -577.283035
where:
bonds (distance) C4'-P energy: -119.174
bonds (distance) P-C4' energy: -121.061
flat angles C4'-P-C4' energy: -141.235
flat angles P-C4'-P energy: -84.232
tors. eta vs tors. theta energy: -111.581
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: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1419.081170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.081170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.081170 (E_RNA)
where:
Base-Base interactions energy: -869.996
where: short stacking energy: -397.678
Base-Backbone interact. energy: 1.113
local terms energy: -550.198655
where:
bonds (distance) C4'-P energy: -136.813
bonds (distance) P-C4' energy: -137.093
flat angles C4'-P-C4' energy: -127.731
flat angles P-C4'-P energy: -56.760
tors. eta vs tors. theta energy: -91.803
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: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1136.643139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.643139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.643139 (E_RNA)
where:
Base-Base interactions energy: -661.346
where: short stacking energy: -300.335
Base-Backbone interact. energy: 4.367
local terms energy: -479.664669
where:
bonds (distance) C4'-P energy: -136.249
bonds (distance) P-C4' energy: -120.442
flat angles C4'-P-C4' energy: -113.142
flat angles P-C4'-P energy: -59.769
tors. eta vs tors. theta energy: -50.064
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: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -798.610997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.610997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.610997 (E_RNA)
where:
Base-Base interactions energy: -410.552
where: short stacking energy: -226.855
Base-Backbone interact. energy: 0.387
local terms energy: -388.445658
where:
bonds (distance) C4'-P energy: -105.872
bonds (distance) P-C4' energy: -125.358
flat angles C4'-P-C4' energy: -107.154
flat angles P-C4'-P energy: -66.339
tors. eta vs tors. theta energy: 16.277
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: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2582.405901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.405901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.405901 (E_RNA)
where:
Base-Base interactions energy: -1795.523
where: short stacking energy: -737.781
Base-Backbone interact. energy: -1.471
local terms energy: -785.412550
where:
bonds (distance) C4'-P energy: -136.506
bonds (distance) P-C4' energy: -161.276
flat angles C4'-P-C4' energy: -167.172
flat angles P-C4'-P energy: -110.241
tors. eta vs tors. theta energy: -210.217
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: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2437.623277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.623277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.623277 (E_RNA)
where:
Base-Base interactions energy: -1686.704
where: short stacking energy: -732.240
Base-Backbone interact. energy: 4.118
local terms energy: -755.037575
where:
bonds (distance) C4'-P energy: -131.189
bonds (distance) P-C4' energy: -142.513
flat angles C4'-P-C4' energy: -167.520
flat angles P-C4'-P energy: -107.438
tors. eta vs tors. theta energy: -206.378
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: 203
Temperature: 1.000000
Total energy: -2429.747440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.747440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.747440 (E_RNA)
where:
Base-Base interactions energy: -1684.202
where: short stacking energy: -710.788
Base-Backbone interact. energy: -1.567
local terms energy: -743.978003
where:
bonds (distance) C4'-P energy: -127.705
bonds (distance) P-C4' energy: -150.418
flat angles C4'-P-C4' energy: -164.953
flat angles P-C4'-P energy: -94.393
tors. eta vs tors. theta energy: -206.510
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: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2321.137308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.137308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.137308 (E_RNA)
where:
Base-Base interactions energy: -1636.836
where: short stacking energy: -671.781
Base-Backbone interact. energy: -5.515
local terms energy: -678.786248
where:
bonds (distance) C4'-P energy: -130.913
bonds (distance) P-C4' energy: -129.257
flat angles C4'-P-C4' energy: -145.785
flat angles P-C4'-P energy: -97.526
tors. eta vs tors. theta energy: -175.306
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: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2176.950870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.950870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.950870 (E_RNA)
where:
Base-Base interactions energy: -1468.134
where: short stacking energy: -639.461
Base-Backbone interact. energy: -1.205
local terms energy: -707.612167
where:
bonds (distance) C4'-P energy: -135.858
bonds (distance) P-C4' energy: -134.629
flat angles C4'-P-C4' energy: -154.730
flat angles P-C4'-P energy: -94.986
tors. eta vs tors. theta energy: -187.409
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: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2075.404864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.404864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.404864 (E_RNA)
where:
Base-Base interactions energy: -1401.597
where: short stacking energy: -604.922
Base-Backbone interact. energy: -1.851
local terms energy: -671.955913
where:
bonds (distance) C4'-P energy: -134.990
bonds (distance) P-C4' energy: -122.663
flat angles C4'-P-C4' energy: -155.025
flat angles P-C4'-P energy: -89.489
tors. eta vs tors. theta energy: -169.789
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: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1677.910015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.910015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.910015 (E_RNA)
where:
Base-Base interactions energy: -1101.512
where: short stacking energy: -455.361
Base-Backbone interact. energy: 1.150
local terms energy: -577.548035
where:
bonds (distance) C4'-P energy: -133.391
bonds (distance) P-C4' energy: -140.390
flat angles C4'-P-C4' energy: -126.451
flat angles P-C4'-P energy: -84.025
tors. eta vs tors. theta energy: -93.290
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: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1449.774950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.774950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.774950 (E_RNA)
where:
Base-Base interactions energy: -918.502
where: short stacking energy: -384.724
Base-Backbone interact. energy: 4.598
local terms energy: -535.871285
where:
bonds (distance) C4'-P energy: -117.417
bonds (distance) P-C4' energy: -134.183
flat angles C4'-P-C4' energy: -140.876
flat angles P-C4'-P energy: -63.193
tors. eta vs tors. theta energy: -80.202
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: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1166.179044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.179044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.179044 (E_RNA)
where:
Base-Base interactions energy: -699.235
where: short stacking energy: -321.658
Base-Backbone interact. energy: -0.838
local terms energy: -466.105847
where:
bonds (distance) C4'-P energy: -119.154
bonds (distance) P-C4' energy: -117.026
flat angles C4'-P-C4' energy: -112.627
flat angles P-C4'-P energy: -63.630
tors. eta vs tors. theta energy: -53.668
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: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -827.105913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.105913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.105913 (E_RNA)
where:
Base-Base interactions energy: -443.016
where: short stacking energy: -233.507
Base-Backbone interact. energy: -0.759
local terms energy: -383.330496
where:
bonds (distance) C4'-P energy: -107.877
bonds (distance) P-C4' energy: -114.610
flat angles C4'-P-C4' energy: -92.324
flat angles P-C4'-P energy: -85.446
tors. eta vs tors. theta energy: 16.927
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: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2607.780655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.780655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.780655 (E_RNA)
where:
Base-Base interactions energy: -1815.009
where: short stacking energy: -740.352
Base-Backbone interact. energy: -1.216
local terms energy: -791.555937
where:
bonds (distance) C4'-P energy: -134.489
bonds (distance) P-C4' energy: -147.436
flat angles C4'-P-C4' energy: -178.208
flat angles P-C4'-P energy: -117.028
tors. eta vs tors. theta energy: -214.396
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: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2464.156776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.156776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.156776 (E_RNA)
where:
Base-Base interactions energy: -1698.078
where: short stacking energy: -738.369
Base-Backbone interact. energy: -4.192
local terms energy: -761.886287
where:
bonds (distance) C4'-P energy: -137.184
bonds (distance) P-C4' energy: -141.146
flat angles C4'-P-C4' energy: -160.568
flat angles P-C4'-P energy: -110.882
tors. eta vs tors. theta energy: -212.106
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: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2381.179774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.179774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.179774 (E_RNA)
where:
Base-Base interactions energy: -1643.719
where: short stacking energy: -703.148
Base-Backbone interact. energy: -3.573
local terms energy: -733.888289
where:
bonds (distance) C4'-P energy: -141.127
bonds (distance) P-C4' energy: -138.524
flat angles C4'-P-C4' energy: -158.250
flat angles P-C4'-P energy: -97.447
tors. eta vs tors. theta energy: -198.540
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: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2327.702205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.702205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.702205 (E_RNA)
where:
Base-Base interactions energy: -1592.191
where: short stacking energy: -692.364
Base-Backbone interact. energy: 3.721
local terms energy: -739.231589
where:
bonds (distance) C4'-P energy: -140.917
bonds (distance) P-C4' energy: -129.144
flat angles C4'-P-C4' energy: -174.263
flat angles P-C4'-P energy: -105.037
tors. eta vs tors. theta energy: -189.870
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: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2167.711472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.711472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.711472 (E_RNA)
where:
Base-Base interactions energy: -1501.267
where: short stacking energy: -650.006
Base-Backbone interact. energy: 0.680
local terms energy: -667.125226
where:
bonds (distance) C4'-P energy: -123.876
bonds (distance) P-C4' energy: -138.310
flat angles C4'-P-C4' energy: -149.852
flat angles P-C4'-P energy: -82.659
tors. eta vs tors. theta energy: -172.429
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: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2071.428966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.428966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.428966 (E_RNA)
where:
Base-Base interactions energy: -1399.131
where: short stacking energy: -621.624
Base-Backbone interact. energy: -2.448
local terms energy: -669.849125
where:
bonds (distance) C4'-P energy: -128.012
bonds (distance) P-C4' energy: -133.771
flat angles C4'-P-C4' energy: -146.049
flat angles P-C4'-P energy: -77.214
tors. eta vs tors. theta energy: -184.803
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: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1693.774102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.774102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.774102 (E_RNA)
where:
Base-Base interactions energy: -1110.231
where: short stacking energy: -491.566
Base-Backbone interact. energy: 0.322
local terms energy: -583.864473
where:
bonds (distance) C4'-P energy: -135.363
bonds (distance) P-C4' energy: -121.257
flat angles C4'-P-C4' energy: -142.874
flat angles P-C4'-P energy: -73.648
tors. eta vs tors. theta energy: -110.722
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: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1495.397696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.397696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.397696 (E_RNA)
where:
Base-Base interactions energy: -945.888
where: short stacking energy: -425.825
Base-Backbone interact. energy: -1.937
local terms energy: -547.571931
where:
bonds (distance) C4'-P energy: -133.137
bonds (distance) P-C4' energy: -133.711
flat angles C4'-P-C4' energy: -125.066
flat angles P-C4'-P energy: -60.501
tors. eta vs tors. theta energy: -95.158
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: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1176.180217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.180217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.180217 (E_RNA)
where:
Base-Base interactions energy: -670.698
where: short stacking energy: -318.982
Base-Backbone interact. energy: -0.931
local terms energy: -504.550750
where:
bonds (distance) C4'-P energy: -112.778
bonds (distance) P-C4' energy: -138.497
flat angles C4'-P-C4' energy: -109.910
flat angles P-C4'-P energy: -85.261
tors. eta vs tors. theta energy: -58.104
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: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -774.045566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.045566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.045566 (E_RNA)
where:
Base-Base interactions energy: -373.935
where: short stacking energy: -203.025
Base-Backbone interact. energy: 2.336
local terms energy: -402.447189
where:
bonds (distance) C4'-P energy: -138.891
bonds (distance) P-C4' energy: -124.606
flat angles C4'-P-C4' energy: -108.995
flat angles P-C4'-P energy: -41.556
tors. eta vs tors. theta energy: 11.601
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: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2600.439336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.439336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.439336 (E_RNA)
where:
Base-Base interactions energy: -1805.474
where: short stacking energy: -773.346
Base-Backbone interact. energy: -0.608
local terms energy: -794.357383
where:
bonds (distance) C4'-P energy: -129.894
bonds (distance) P-C4' energy: -154.393
flat angles C4'-P-C4' energy: -175.408
flat angles P-C4'-P energy: -115.356
tors. eta vs tors. theta energy: -219.305
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: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2444.680959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.680959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.680959 (E_RNA)
where:
Base-Base interactions energy: -1697.189
where: short stacking energy: -728.266
Base-Backbone interact. energy: 0.816
local terms energy: -748.307327
where:
bonds (distance) C4'-P energy: -123.392
bonds (distance) P-C4' energy: -142.679
flat angles C4'-P-C4' energy: -158.972
flat angles P-C4'-P energy: -115.227
tors. eta vs tors. theta energy: -208.037
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: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2398.821456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.821456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.821456 (E_RNA)
where:
Base-Base interactions energy: -1674.827
where: short stacking energy: -722.038
Base-Backbone interact. energy: -5.172
local terms energy: -718.822202
where:
bonds (distance) C4'-P energy: -135.266
bonds (distance) P-C4' energy: -121.807
flat angles C4'-P-C4' energy: -157.936
flat angles P-C4'-P energy: -102.662
tors. eta vs tors. theta energy: -201.151
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: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2321.863293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.863293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.863293 (E_RNA)
where:
Base-Base interactions energy: -1628.386
where: short stacking energy: -667.611
Base-Backbone interact. energy: -1.266
local terms energy: -692.211584
where:
bonds (distance) C4'-P energy: -132.955
bonds (distance) P-C4' energy: -122.350
flat angles C4'-P-C4' energy: -157.321
flat angles P-C4'-P energy: -104.791
tors. eta vs tors. theta energy: -174.795
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: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2158.683169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.683169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.683169 (E_RNA)
where:
Base-Base interactions energy: -1451.019
where: short stacking energy: -649.647
Base-Backbone interact. energy: 6.097
local terms energy: -713.761062
where:
bonds (distance) C4'-P energy: -136.833
bonds (distance) P-C4' energy: -147.085
flat angles C4'-P-C4' energy: -141.624
flat angles P-C4'-P energy: -101.802
tors. eta vs tors. theta energy: -186.416
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: 205
Temperature: 1.150000
Total energy: -2080.863816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.863816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.863816 (E_RNA)
where:
Base-Base interactions energy: -1411.747
where: short stacking energy: -607.309
Base-Backbone interact. energy: -3.452
local terms energy: -665.664779
where:
bonds (distance) C4'-P energy: -118.437
bonds (distance) P-C4' energy: -134.753
flat angles C4'-P-C4' energy: -154.312
flat angles P-C4'-P energy: -91.153
tors. eta vs tors. theta energy: -167.010
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: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1709.278377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.278377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.278377 (E_RNA)
where:
Base-Base interactions energy: -1117.441
where: short stacking energy: -505.329
Base-Backbone interact. energy: -1.965
local terms energy: -589.872008
where:
bonds (distance) C4'-P energy: -117.669
bonds (distance) P-C4' energy: -114.191
flat angles C4'-P-C4' energy: -139.540
flat angles P-C4'-P energy: -81.136
tors. eta vs tors. theta energy: -137.336
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: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1456.226332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.226332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.226332 (E_RNA)
where:
Base-Base interactions energy: -954.616
where: short stacking energy: -437.491
Base-Backbone interact. energy: -3.297
local terms energy: -498.312747
where:
bonds (distance) C4'-P energy: -113.734
bonds (distance) P-C4' energy: -125.023
flat angles C4'-P-C4' energy: -116.569
flat angles P-C4'-P energy: -73.711
tors. eta vs tors. theta energy: -69.276
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: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1130.754917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.754917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.754917 (E_RNA)
where:
Base-Base interactions energy: -672.701
where: short stacking energy: -315.753
Base-Backbone interact. energy: -3.971
local terms energy: -454.082683
where:
bonds (distance) C4'-P energy: -109.731
bonds (distance) P-C4' energy: -103.658
flat angles C4'-P-C4' energy: -125.829
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: -44.427
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: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -775.363464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.363464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.363464 (E_RNA)
where:
Base-Base interactions energy: -370.060
where: short stacking energy: -209.749
Base-Backbone interact. energy: 3.752
local terms energy: -409.055155
where:
bonds (distance) C4'-P energy: -111.426
bonds (distance) P-C4' energy: -128.771
flat angles C4'-P-C4' energy: -97.361
flat angles P-C4'-P energy: -58.067
tors. eta vs tors. theta energy: -13.430
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: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2606.783383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.783383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.783383 (E_RNA)
where:
Base-Base interactions energy: -1839.866
where: short stacking energy: -774.556
Base-Backbone interact. energy: 1.968
local terms energy: -768.885659
where:
bonds (distance) C4'-P energy: -141.505
bonds (distance) P-C4' energy: -150.931
flat angles C4'-P-C4' energy: -167.439
flat angles P-C4'-P energy: -97.956
tors. eta vs tors. theta energy: -211.054
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: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2471.953701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.953701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.953701 (E_RNA)
where:
Base-Base interactions energy: -1701.854
where: short stacking energy: -722.899
Base-Backbone interact. energy: -4.067
local terms energy: -766.032774
where:
bonds (distance) C4'-P energy: -125.260
bonds (distance) P-C4' energy: -151.591
flat angles C4'-P-C4' energy: -165.747
flat angles P-C4'-P energy: -112.315
tors. eta vs tors. theta energy: -211.121
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: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2397.023138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.023138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.023138 (E_RNA)
where:
Base-Base interactions energy: -1635.245
where: short stacking energy: -699.256
Base-Backbone interact. energy: -4.727
local terms energy: -757.050798
where:
bonds (distance) C4'-P energy: -141.175
bonds (distance) P-C4' energy: -146.081
flat angles C4'-P-C4' energy: -167.086
flat angles P-C4'-P energy: -92.840
tors. eta vs tors. theta energy: -209.869
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: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2332.594440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.594440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.594440 (E_RNA)
where:
Base-Base interactions energy: -1610.507
where: short stacking energy: -663.951
Base-Backbone interact. energy: -3.044
local terms energy: -719.043356
where:
bonds (distance) C4'-P energy: -129.961
bonds (distance) P-C4' energy: -134.441
flat angles C4'-P-C4' energy: -161.039
flat angles P-C4'-P energy: -103.676
tors. eta vs tors. theta energy: -189.927
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: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2164.835645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.835645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.835645 (E_RNA)
where:
Base-Base interactions energy: -1497.037
where: short stacking energy: -668.065
Base-Backbone interact. energy: -2.073
local terms energy: -665.726287
where:
bonds (distance) C4'-P energy: -114.565
bonds (distance) P-C4' energy: -118.761
flat angles C4'-P-C4' energy: -161.135
flat angles P-C4'-P energy: -87.208
tors. eta vs tors. theta energy: -184.057
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: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2062.955785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.955785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.955785 (E_RNA)
where:
Base-Base interactions energy: -1364.763
where: short stacking energy: -583.272
Base-Backbone interact. energy: -1.191
local terms energy: -697.002402
where:
bonds (distance) C4'-P energy: -141.589
bonds (distance) P-C4' energy: -143.277
flat angles C4'-P-C4' energy: -144.493
flat angles P-C4'-P energy: -98.976
tors. eta vs tors. theta energy: -168.667
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: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1667.290055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.290055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.290055 (E_RNA)
where:
Base-Base interactions energy: -1069.234
where: short stacking energy: -488.604
Base-Backbone interact. energy: -2.524
local terms energy: -595.532352
where:
bonds (distance) C4'-P energy: -113.838
bonds (distance) P-C4' energy: -122.214
flat angles C4'-P-C4' energy: -143.115
flat angles P-C4'-P energy: -95.848
tors. eta vs tors. theta energy: -120.518
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: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1541.903523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.903523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.903523 (E_RNA)
where:
Base-Base interactions energy: -975.476
where: short stacking energy: -466.901
Base-Backbone interact. energy: -2.606
local terms energy: -563.821365
where:
bonds (distance) C4'-P energy: -120.123
bonds (distance) P-C4' energy: -130.126
flat angles C4'-P-C4' energy: -123.429
flat angles P-C4'-P energy: -71.573
tors. eta vs tors. theta energy: -118.570
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: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1197.017036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.017036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.017036 (E_RNA)
where:
Base-Base interactions energy: -694.228
where: short stacking energy: -346.706
Base-Backbone interact. energy: -3.969
local terms energy: -498.820542
where:
bonds (distance) C4'-P energy: -122.182
bonds (distance) P-C4' energy: -129.994
flat angles C4'-P-C4' energy: -115.654
flat angles P-C4'-P energy: -81.769
tors. eta vs tors. theta energy: -49.220
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: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -797.346121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.346121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.346121 (E_RNA)
where:
Base-Base interactions energy: -432.891
where: short stacking energy: -238.427
Base-Backbone interact. energy: 1.923
local terms energy: -366.377938
where:
bonds (distance) C4'-P energy: -121.396
bonds (distance) P-C4' energy: -114.390
flat angles C4'-P-C4' energy: -84.529
flat angles P-C4'-P energy: -52.736
tors. eta vs tors. theta energy: 6.673
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: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2596.604904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.604904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.604904 (E_RNA)
where:
Base-Base interactions energy: -1831.209
where: short stacking energy: -751.646
Base-Backbone interact. energy: 1.636
local terms energy: -767.031661
where:
bonds (distance) C4'-P energy: -151.615
bonds (distance) P-C4' energy: -146.852
flat angles C4'-P-C4' energy: -160.447
flat angles P-C4'-P energy: -93.990
tors. eta vs tors. theta energy: -214.128
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: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2420.444298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.444298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.444298 (E_RNA)
where:
Base-Base interactions energy: -1651.470
where: short stacking energy: -718.548
Base-Backbone interact. energy: -4.028
local terms energy: -764.945733
where:
bonds (distance) C4'-P energy: -149.034
bonds (distance) P-C4' energy: -138.698
flat angles C4'-P-C4' energy: -165.599
flat angles P-C4'-P energy: -104.727
tors. eta vs tors. theta energy: -206.888
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: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2354.618228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.618228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.618228 (E_RNA)
where:
Base-Base interactions energy: -1634.472
where: short stacking energy: -719.235
Base-Backbone interact. energy: -4.221
local terms energy: -715.924929
where:
bonds (distance) C4'-P energy: -123.693
bonds (distance) P-C4' energy: -141.955
flat angles C4'-P-C4' energy: -164.713
flat angles P-C4'-P energy: -95.164
tors. eta vs tors. theta energy: -190.401
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2315.430478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.430478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.430478 (E_RNA)
where:
Base-Base interactions energy: -1596.235
where: short stacking energy: -642.764
Base-Backbone interact. energy: -3.400
local terms energy: -715.795175
where:
bonds (distance) C4'-P energy: -143.325
bonds (distance) P-C4' energy: -135.783
flat angles C4'-P-C4' energy: -157.403
flat angles P-C4'-P energy: -105.999
tors. eta vs tors. theta energy: -173.285
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: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2161.017133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.017133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.017133 (E_RNA)
where:
Base-Base interactions energy: -1456.894
where: short stacking energy: -656.824
Base-Backbone interact. energy: -4.777
local terms energy: -699.345685
where:
bonds (distance) C4'-P energy: -130.052
bonds (distance) P-C4' energy: -131.254
flat angles C4'-P-C4' energy: -145.866
flat angles P-C4'-P energy: -100.472
tors. eta vs tors. theta energy: -191.702
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: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2062.446122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.446122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.446122 (E_RNA)
where:
Base-Base interactions energy: -1386.005
where: short stacking energy: -608.298
Base-Backbone interact. energy: 0.259
local terms energy: -676.700852
where:
bonds (distance) C4'-P energy: -132.713
bonds (distance) P-C4' energy: -142.522
flat angles C4'-P-C4' energy: -143.331
flat angles P-C4'-P energy: -85.685
tors. eta vs tors. theta energy: -172.449
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: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1599.197640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.197640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.197640 (E_RNA)
where:
Base-Base interactions energy: -1026.110
where: short stacking energy: -466.248
Base-Backbone interact. energy: 0.749
local terms energy: -573.836617
where:
bonds (distance) C4'-P energy: -119.981
bonds (distance) P-C4' energy: -128.805
flat angles C4'-P-C4' energy: -127.060
flat angles P-C4'-P energy: -95.247
tors. eta vs tors. theta energy: -102.743
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: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1519.578332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.578332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.578332 (E_RNA)
where:
Base-Base interactions energy: -983.706
where: short stacking energy: -449.027
Base-Backbone interact. energy: -2.600
local terms energy: -533.272066
where:
bonds (distance) C4'-P energy: -102.567
bonds (distance) P-C4' energy: -143.270
flat angles C4'-P-C4' energy: -117.696
flat angles P-C4'-P energy: -76.011
tors. eta vs tors. theta energy: -93.727
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: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1200.072490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.072490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.072490 (E_RNA)
where:
Base-Base interactions energy: -684.638
where: short stacking energy: -318.667
Base-Backbone interact. energy: -2.335
local terms energy: -513.100343
where:
bonds (distance) C4'-P energy: -123.172
bonds (distance) P-C4' energy: -128.647
flat angles C4'-P-C4' energy: -128.577
flat angles P-C4'-P energy: -77.573
tors. eta vs tors. theta energy: -55.132
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: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -811.387810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.387810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.387810 (E_RNA)
where:
Base-Base interactions energy: -386.660
where: short stacking energy: -234.659
Base-Backbone interact. energy: -2.433
local terms energy: -422.295141
where:
bonds (distance) C4'-P energy: -103.878
bonds (distance) P-C4' energy: -126.658
flat angles C4'-P-C4' energy: -100.719
flat angles P-C4'-P energy: -79.266
tors. eta vs tors. theta energy: -11.774
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: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2593.237345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.237345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.237345 (E_RNA)
where:
Base-Base interactions energy: -1814.240
where: short stacking energy: -758.125
Base-Backbone interact. energy: -1.098
local terms energy: -777.898843
where:
bonds (distance) C4'-P energy: -147.174
bonds (distance) P-C4' energy: -133.949
flat angles C4'-P-C4' energy: -168.375
flat angles P-C4'-P energy: -111.517
tors. eta vs tors. theta energy: -216.884
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: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2455.768137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.768137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.768137 (E_RNA)
where:
Base-Base interactions energy: -1683.630
where: short stacking energy: -738.730
Base-Backbone interact. energy: -2.465
local terms energy: -769.673572
where:
bonds (distance) C4'-P energy: -146.992
bonds (distance) P-C4' energy: -145.404
flat angles C4'-P-C4' energy: -160.668
flat angles P-C4'-P energy: -106.916
tors. eta vs tors. theta energy: -209.693
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: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2368.515720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.515720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.515720 (E_RNA)
where:
Base-Base interactions energy: -1638.960
where: short stacking energy: -692.624
Base-Backbone interact. energy: -1.809
local terms energy: -727.746916
where:
bonds (distance) C4'-P energy: -142.171
bonds (distance) P-C4' energy: -137.752
flat angles C4'-P-C4' energy: -163.354
flat angles P-C4'-P energy: -91.831
tors. eta vs tors. theta energy: -192.639
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: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2337.468348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.468348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.468348 (E_RNA)
where:
Base-Base interactions energy: -1619.104
where: short stacking energy: -667.700
Base-Backbone interact. energy: -3.106
local terms energy: -715.257772
where:
bonds (distance) C4'-P energy: -135.707
bonds (distance) P-C4' energy: -124.224
flat angles C4'-P-C4' energy: -154.878
flat angles P-C4'-P energy: -104.012
tors. eta vs tors. theta energy: -196.438
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: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2175.525591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.525591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.525591 (E_RNA)
where:
Base-Base interactions energy: -1479.303
where: short stacking energy: -644.575
Base-Backbone interact. energy: -3.010
local terms energy: -693.212208
where:
bonds (distance) C4'-P energy: -118.637
bonds (distance) P-C4' energy: -146.469
flat angles C4'-P-C4' energy: -143.674
flat angles P-C4'-P energy: -102.439
tors. eta vs tors. theta energy: -181.993
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: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2038.562106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.562106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.562106 (E_RNA)
where:
Base-Base interactions energy: -1345.399
where: short stacking energy: -588.426
Base-Backbone interact. energy: 1.328
local terms energy: -694.491727
where:
bonds (distance) C4'-P energy: -130.132
bonds (distance) P-C4' energy: -134.866
flat angles C4'-P-C4' energy: -151.421
flat angles P-C4'-P energy: -89.454
tors. eta vs tors. theta energy: -188.619
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: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1705.041370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.041370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.041370 (E_RNA)
where:
Base-Base interactions energy: -1103.683
where: short stacking energy: -484.603
Base-Backbone interact. energy: -3.718
local terms energy: -597.640328
where:
bonds (distance) C4'-P energy: -127.166
bonds (distance) P-C4' energy: -135.320
flat angles C4'-P-C4' energy: -141.163
flat angles P-C4'-P energy: -90.249
tors. eta vs tors. theta energy: -103.742
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: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1449.437321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.437321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.437321 (E_RNA)
where:
Base-Base interactions energy: -916.468
where: short stacking energy: -421.256
Base-Backbone interact. energy: 8.606
local terms energy: -541.575131
where:
bonds (distance) C4'-P energy: -116.503
bonds (distance) P-C4' energy: -127.983
flat angles C4'-P-C4' energy: -140.456
flat angles P-C4'-P energy: -73.941
tors. eta vs tors. theta energy: -82.692
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: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1160.439190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.439190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.439190 (E_RNA)
where:
Base-Base interactions energy: -715.387
where: short stacking energy: -315.100
Base-Backbone interact. energy: -0.280
local terms energy: -444.772259
where:
bonds (distance) C4'-P energy: -97.742
bonds (distance) P-C4' energy: -102.251
flat angles C4'-P-C4' energy: -114.403
flat angles P-C4'-P energy: -69.877
tors. eta vs tors. theta energy: -60.499
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: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -773.292009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.292009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.292009 (E_RNA)
where:
Base-Base interactions energy: -413.632
where: short stacking energy: -191.804
Base-Backbone interact. energy: 3.807
local terms energy: -363.466597
where:
bonds (distance) C4'-P energy: -109.889
bonds (distance) P-C4' energy: -117.060
flat angles C4'-P-C4' energy: -114.384
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: 28.149
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: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2592.578830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.578830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.578830 (E_RNA)
where:
Base-Base interactions energy: -1808.118
where: short stacking energy: -763.362
Base-Backbone interact. energy: -1.426
local terms energy: -783.034325
where:
bonds (distance) C4'-P energy: -150.521
bonds (distance) P-C4' energy: -137.558
flat angles C4'-P-C4' energy: -166.858
flat angles P-C4'-P energy: -106.116
tors. eta vs tors. theta energy: -221.980
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: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2439.778694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.778694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.778694 (E_RNA)
where:
Base-Base interactions energy: -1669.511
where: short stacking energy: -728.498
Base-Backbone interact. energy: -2.288
local terms energy: -767.979735
where:
bonds (distance) C4'-P energy: -148.172
bonds (distance) P-C4' energy: -134.705
flat angles C4'-P-C4' energy: -170.363
flat angles P-C4'-P energy: -99.369
tors. eta vs tors. theta energy: -215.370
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: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2381.772857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.772857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.772857 (E_RNA)
where:
Base-Base interactions energy: -1624.700
where: short stacking energy: -733.638
Base-Backbone interact. energy: -4.823
local terms energy: -752.249652
where:
bonds (distance) C4'-P energy: -125.981
bonds (distance) P-C4' energy: -148.622
flat angles C4'-P-C4' energy: -154.083
flat angles P-C4'-P energy: -112.609
tors. eta vs tors. theta energy: -210.954
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: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2314.933481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.933481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.933481 (E_RNA)
where:
Base-Base interactions energy: -1600.882
where: short stacking energy: -645.609
Base-Backbone interact. energy: -3.272
local terms energy: -710.778812
where:
bonds (distance) C4'-P energy: -135.448
bonds (distance) P-C4' energy: -142.449
flat angles C4'-P-C4' energy: -150.609
flat angles P-C4'-P energy: -101.224
tors. eta vs tors. theta energy: -181.049
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: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2195.367615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.367615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.367615 (E_RNA)
where:
Base-Base interactions energy: -1525.554
where: short stacking energy: -664.479
Base-Backbone interact. energy: -4.274
local terms energy: -665.539947
where:
bonds (distance) C4'-P energy: -129.296
bonds (distance) P-C4' energy: -135.476
flat angles C4'-P-C4' energy: -134.680
flat angles P-C4'-P energy: -87.755
tors. eta vs tors. theta energy: -178.334
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: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2045.016439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.016439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.016439 (E_RNA)
where:
Base-Base interactions energy: -1404.700
where: short stacking energy: -608.167
Base-Backbone interact. energy: -1.374
local terms energy: -638.942876
where:
bonds (distance) C4'-P energy: -126.023
bonds (distance) P-C4' energy: -114.751
flat angles C4'-P-C4' energy: -149.552
flat angles P-C4'-P energy: -88.690
tors. eta vs tors. theta energy: -159.926
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: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1616.560378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.560378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.560378 (E_RNA)
where:
Base-Base interactions energy: -1053.221
where: short stacking energy: -475.335
Base-Backbone interact. energy: -1.712
local terms energy: -561.627646
where:
bonds (distance) C4'-P energy: -106.881
bonds (distance) P-C4' energy: -138.356
flat angles C4'-P-C4' energy: -128.657
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -115.919
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: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1492.450471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.450471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.450471 (E_RNA)
where:
Base-Base interactions energy: -960.227
where: short stacking energy: -423.739
Base-Backbone interact. energy: -2.885
local terms energy: -529.338204
where:
bonds (distance) C4'-P energy: -118.273
bonds (distance) P-C4' energy: -96.338
flat angles C4'-P-C4' energy: -122.195
flat angles P-C4'-P energy: -89.640
tors. eta vs tors. theta energy: -102.893
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: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1211.685736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.685736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.685736 (E_RNA)
where:
Base-Base interactions energy: -705.326
where: short stacking energy: -341.632
Base-Backbone interact. energy: -1.530
local terms energy: -504.830040
where:
bonds (distance) C4'-P energy: -117.054
bonds (distance) P-C4' energy: -134.466
flat angles C4'-P-C4' energy: -115.405
flat angles P-C4'-P energy: -77.929
tors. eta vs tors. theta energy: -59.976
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: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -862.914479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.914479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.914479 (E_RNA)
where:
Base-Base interactions energy: -487.217
where: short stacking energy: -260.488
Base-Backbone interact. energy: 3.579
local terms energy: -379.276020
where:
bonds (distance) C4'-P energy: -102.265
bonds (distance) P-C4' energy: -110.917
flat angles C4'-P-C4' energy: -101.777
flat angles P-C4'-P energy: -56.028
tors. eta vs tors. theta energy: -8.289
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: 210
Temperature: 0.900000
Total energy: -2622.537379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.537379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.537379 (E_RNA)
where:
Base-Base interactions energy: -1809.391
where: short stacking energy: -747.776
Base-Backbone interact. energy: -1.946
local terms energy: -811.200140
where:
bonds (distance) C4'-P energy: -145.385
bonds (distance) P-C4' energy: -150.378
flat angles C4'-P-C4' energy: -163.960
flat angles P-C4'-P energy: -127.172
tors. eta vs tors. theta energy: -224.305
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: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2412.466482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.466482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.466482 (E_RNA)
where:
Base-Base interactions energy: -1661.943
where: short stacking energy: -708.603
Base-Backbone interact. energy: -6.237
local terms energy: -744.286170
where:
bonds (distance) C4'-P energy: -141.225
bonds (distance) P-C4' energy: -142.996
flat angles C4'-P-C4' energy: -160.946
flat angles P-C4'-P energy: -99.947
tors. eta vs tors. theta energy: -199.171
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: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2401.132028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.132028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.132028 (E_RNA)
where:
Base-Base interactions energy: -1616.580
where: short stacking energy: -685.445
Base-Backbone interact. energy: -2.788
local terms energy: -781.763491
where:
bonds (distance) C4'-P energy: -145.758
bonds (distance) P-C4' energy: -145.080
flat angles C4'-P-C4' energy: -162.270
flat angles P-C4'-P energy: -119.572
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: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2340.871599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.871599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.871599 (E_RNA)
where:
Base-Base interactions energy: -1597.804
where: short stacking energy: -687.604
Base-Backbone interact. energy: 2.177
local terms energy: -745.244108
where:
bonds (distance) C4'-P energy: -138.038
bonds (distance) P-C4' energy: -142.184
flat angles C4'-P-C4' energy: -160.326
flat angles P-C4'-P energy: -110.760
tors. eta vs tors. theta energy: -193.937
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: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2217.980106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.980106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.980106 (E_RNA)
where:
Base-Base interactions energy: -1535.436
where: short stacking energy: -669.196
Base-Backbone interact. energy: 0.816
local terms energy: -683.360376
where:
bonds (distance) C4'-P energy: -129.928
bonds (distance) P-C4' energy: -136.143
flat angles C4'-P-C4' energy: -134.298
flat angles P-C4'-P energy: -91.463
tors. eta vs tors. theta energy: -191.528
Dist. restrs. and SS energy: 0.000 (S_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: 210
Temperature: 1.150000
Total energy: -2009.880991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.880991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.880991 (E_RNA)
where:
Base-Base interactions energy: -1368.719
where: short stacking energy: -586.322
Base-Backbone interact. energy: -3.332
local terms energy: -637.829787
where:
bonds (distance) C4'-P energy: -131.207
bonds (distance) P-C4' energy: -120.413
flat angles C4'-P-C4' energy: -141.094
flat angles P-C4'-P energy: -86.557
tors. eta vs tors. theta energy: -158.559
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: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1669.075675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.075675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.075675 (E_RNA)
where:
Base-Base interactions energy: -1065.580
where: short stacking energy: -472.381
Base-Backbone interact. energy: -2.072
local terms energy: -601.424208
where:
bonds (distance) C4'-P energy: -106.954
bonds (distance) P-C4' energy: -148.677
flat angles C4'-P-C4' energy: -134.612
flat angles P-C4'-P energy: -100.320
tors. eta vs tors. theta energy: -110.861
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: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1443.034103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.034103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.034103 (E_RNA)
where:
Base-Base interactions energy: -941.813
where: short stacking energy: -414.693
Base-Backbone interact. energy: -0.219
local terms energy: -501.001291
where:
bonds (distance) C4'-P energy: -115.824
bonds (distance) P-C4' energy: -113.203
flat angles C4'-P-C4' energy: -133.224
flat angles P-C4'-P energy: -76.782
tors. eta vs tors. theta energy: -61.968
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: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1169.302382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.302382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.302382 (E_RNA)
where:
Base-Base interactions energy: -725.051
where: short stacking energy: -341.938
Base-Backbone interact. energy: -1.932
local terms energy: -442.319512
where:
bonds (distance) C4'-P energy: -114.425
bonds (distance) P-C4' energy: -107.306
flat angles C4'-P-C4' energy: -102.852
flat angles P-C4'-P energy: -76.474
tors. eta vs tors. theta energy: -41.263
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: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -823.923724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.923724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.923724 (E_RNA)
where:
Base-Base interactions energy: -441.747
where: short stacking energy: -248.478
Base-Backbone interact. energy: 0.427
local terms energy: -382.603777
where:
bonds (distance) C4'-P energy: -105.469
bonds (distance) P-C4' energy: -121.487
flat angles C4'-P-C4' energy: -69.675
flat angles P-C4'-P energy: -68.344
tors. eta vs tors. theta energy: -17.629
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: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2616.594003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.594003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.594003 (E_RNA)
where:
Base-Base interactions energy: -1805.114
where: short stacking energy: -742.440
Base-Backbone interact. energy: -0.660
local terms energy: -810.820241
where:
bonds (distance) C4'-P energy: -150.083
bonds (distance) P-C4' energy: -146.894
flat angles C4'-P-C4' energy: -178.410
flat angles P-C4'-P energy: -116.063
tors. eta vs tors. theta energy: -219.370
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: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2423.899603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.899603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.899603 (E_RNA)
where:
Base-Base interactions energy: -1664.863
where: short stacking energy: -723.660
Base-Backbone interact. energy: -1.005
local terms energy: -758.030713
where:
bonds (distance) C4'-P energy: -133.901
bonds (distance) P-C4' energy: -138.280
flat angles C4'-P-C4' energy: -161.149
flat angles P-C4'-P energy: -112.690
tors. eta vs tors. theta energy: -212.012
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: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2371.074181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.074181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.074181 (E_RNA)
where:
Base-Base interactions energy: -1627.512
where: short stacking energy: -690.358
Base-Backbone interact. energy: -2.760
local terms energy: -740.802851
where:
bonds (distance) C4'-P energy: -138.149
bonds (distance) P-C4' energy: -123.427
flat angles C4'-P-C4' energy: -171.317
flat angles P-C4'-P energy: -108.453
tors. eta vs tors. theta energy: -199.456
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: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2352.698672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.698672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.698672 (E_RNA)
where:
Base-Base interactions energy: -1647.908
where: short stacking energy: -702.630
Base-Backbone interact. energy: -3.309
local terms energy: -701.480918
where:
bonds (distance) C4'-P energy: -129.986
bonds (distance) P-C4' energy: -137.854
flat angles C4'-P-C4' energy: -147.319
flat angles P-C4'-P energy: -97.490
tors. eta vs tors. theta energy: -188.833
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: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2220.590391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.590391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.590391 (E_RNA)
where:
Base-Base interactions energy: -1529.833
where: short stacking energy: -671.316
Base-Backbone interact. energy: -0.798
local terms energy: -689.959498
where:
bonds (distance) C4'-P energy: -121.466
bonds (distance) P-C4' energy: -127.518
flat angles C4'-P-C4' energy: -148.871
flat angles P-C4'-P energy: -97.722
tors. eta vs tors. theta energy: -194.383
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: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2044.263703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.263703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.263703 (E_RNA)
where:
Base-Base interactions energy: -1386.541
where: short stacking energy: -609.062
Base-Backbone interact. energy: -1.059
local terms energy: -656.664331
where:
bonds (distance) C4'-P energy: -136.884
bonds (distance) P-C4' energy: -129.259
flat angles C4'-P-C4' energy: -132.554
flat angles P-C4'-P energy: -96.482
tors. eta vs tors. theta energy: -161.486
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: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1587.993175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.993175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.993175 (E_RNA)
where:
Base-Base interactions energy: -1059.847
where: short stacking energy: -459.070
Base-Backbone interact. energy: -1.797
local terms energy: -526.348437
where:
bonds (distance) C4'-P energy: -121.404
bonds (distance) P-C4' energy: -123.341
flat angles C4'-P-C4' energy: -118.963
flat angles P-C4'-P energy: -58.534
tors. eta vs tors. theta energy: -104.107
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: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1452.973944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.973944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.973944 (E_RNA)
where:
Base-Base interactions energy: -921.836
where: short stacking energy: -436.866
Base-Backbone interact. energy: 8.212
local terms energy: -539.349573
where:
bonds (distance) C4'-P energy: -128.764
bonds (distance) P-C4' energy: -122.892
flat angles C4'-P-C4' energy: -119.792
flat angles P-C4'-P energy: -73.681
tors. eta vs tors. theta energy: -94.221
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: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1143.009338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.009338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.009338 (E_RNA)
where:
Base-Base interactions energy: -684.036
where: short stacking energy: -331.871
Base-Backbone interact. energy: -3.287
local terms energy: -455.685977
where:
bonds (distance) C4'-P energy: -99.080
bonds (distance) P-C4' energy: -110.190
flat angles C4'-P-C4' energy: -130.326
flat angles P-C4'-P energy: -81.010
tors. eta vs tors. theta energy: -35.080
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: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -830.683325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.683325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.683325 (E_RNA)
where:
Base-Base interactions energy: -445.232
where: short stacking energy: -200.876
Base-Backbone interact. energy: 2.909
local terms energy: -388.360312
where:
bonds (distance) C4'-P energy: -121.653
bonds (distance) P-C4' energy: -111.988
flat angles C4'-P-C4' energy: -104.594
flat angles P-C4'-P energy: -50.721
tors. eta vs tors. theta energy: 0.596
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: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2606.972357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.972357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.972357 (E_RNA)
where:
Base-Base interactions energy: -1826.535
where: short stacking energy: -778.930
Base-Backbone interact. energy: -0.585
local terms energy: -779.852607
where:
bonds (distance) C4'-P energy: -144.568
bonds (distance) P-C4' energy: -148.336
flat angles C4'-P-C4' energy: -170.353
flat angles P-C4'-P energy: -98.066
tors. eta vs tors. theta energy: -218.530
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: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2438.790312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.790312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.790312 (E_RNA)
where:
Base-Base interactions energy: -1687.642
where: short stacking energy: -749.950
Base-Backbone interact. energy: -1.437
local terms energy: -749.711478
where:
bonds (distance) C4'-P energy: -146.065
bonds (distance) P-C4' energy: -148.627
flat angles C4'-P-C4' energy: -162.135
flat angles P-C4'-P energy: -87.432
tors. eta vs tors. theta energy: -205.453
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: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2406.446865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.446865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.446865 (E_RNA)
where:
Base-Base interactions energy: -1676.144
where: short stacking energy: -719.974
Base-Backbone interact. energy: -2.083
local terms energy: -728.220130
where:
bonds (distance) C4'-P energy: -143.739
bonds (distance) P-C4' energy: -128.307
flat angles C4'-P-C4' energy: -163.373
flat angles P-C4'-P energy: -99.429
tors. eta vs tors. theta energy: -193.372
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: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2316.844288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.844288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.844288 (E_RNA)
where:
Base-Base interactions energy: -1616.876
where: short stacking energy: -661.234
Base-Backbone interact. energy: -2.740
local terms energy: -697.227711
where:
bonds (distance) C4'-P energy: -129.002
bonds (distance) P-C4' energy: -151.504
flat angles C4'-P-C4' energy: -143.048
flat angles P-C4'-P energy: -91.727
tors. eta vs tors. theta energy: -181.947
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: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2218.408252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.408252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.408252 (E_RNA)
where:
Base-Base interactions energy: -1506.939
where: short stacking energy: -655.687
Base-Backbone interact. energy: -2.975
local terms energy: -708.493959
where:
bonds (distance) C4'-P energy: -118.530
bonds (distance) P-C4' energy: -135.607
flat angles C4'-P-C4' energy: -155.896
flat angles P-C4'-P energy: -108.439
tors. eta vs tors. theta energy: -190.022
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: 212
Temperature: 1.150000
Total energy: -2013.138390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.138390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.138390 (E_RNA)
where:
Base-Base interactions energy: -1373.986
where: short stacking energy: -616.028
Base-Backbone interact. energy: -1.625
local terms energy: -637.527839
where:
bonds (distance) C4'-P energy: -122.966
bonds (distance) P-C4' energy: -139.627
flat angles C4'-P-C4' energy: -140.421
flat angles P-C4'-P energy: -79.796
tors. eta vs tors. theta energy: -154.718
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: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1631.662580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.662580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.662580 (E_RNA)
where:
Base-Base interactions energy: -1058.471
where: short stacking energy: -468.158
Base-Backbone interact. energy: 2.849
local terms energy: -576.041290
where:
bonds (distance) C4'-P energy: -120.500
bonds (distance) P-C4' energy: -118.410
flat angles C4'-P-C4' energy: -135.791
flat angles P-C4'-P energy: -107.549
tors. eta vs tors. theta energy: -93.791
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: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1452.416968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.416968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.416968 (E_RNA)
where:
Base-Base interactions energy: -930.634
where: short stacking energy: -441.336
Base-Backbone interact. energy: 0.487
local terms energy: -522.269608
where:
bonds (distance) C4'-P energy: -111.497
bonds (distance) P-C4' energy: -111.340
flat angles C4'-P-C4' energy: -127.444
flat angles P-C4'-P energy: -73.762
tors. eta vs tors. theta energy: -98.227
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: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1178.180284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.180284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.180284 (E_RNA)
where:
Base-Base interactions energy: -721.195
where: short stacking energy: -339.315
Base-Backbone interact. energy: -0.235
local terms energy: -456.750333
where:
bonds (distance) C4'-P energy: -111.674
bonds (distance) P-C4' energy: -119.790
flat angles C4'-P-C4' energy: -106.626
flat angles P-C4'-P energy: -71.337
tors. eta vs tors. theta energy: -47.323
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: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -729.489428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.489428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.489428 (E_RNA)
where:
Base-Base interactions energy: -352.630
where: short stacking energy: -216.165
Base-Backbone interact. energy: 1.700
local terms energy: -378.558710
where:
bonds (distance) C4'-P energy: -111.913
bonds (distance) P-C4' energy: -130.380
flat angles C4'-P-C4' energy: -90.433
flat angles P-C4'-P energy: -52.311
tors. eta vs tors. theta energy: 6.479
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: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2577.116271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.116271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.116271 (E_RNA)
where:
Base-Base interactions energy: -1784.253
where: short stacking energy: -745.448
Base-Backbone interact. energy: -0.839
local terms energy: -792.024489
where:
bonds (distance) C4'-P energy: -157.478
bonds (distance) P-C4' energy: -148.989
flat angles C4'-P-C4' energy: -160.722
flat angles P-C4'-P energy: -109.564
tors. eta vs tors. theta energy: -215.272
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: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2462.765421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.765421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.765421 (E_RNA)
where:
Base-Base interactions energy: -1681.838
where: short stacking energy: -733.623
Base-Backbone interact. energy: -0.271
local terms energy: -780.656098
where:
bonds (distance) C4'-P energy: -150.403
bonds (distance) P-C4' energy: -156.063
flat angles C4'-P-C4' energy: -169.852
flat angles P-C4'-P energy: -105.213
tors. eta vs tors. theta energy: -199.125
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: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2410.649698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.649698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.649698 (E_RNA)
where:
Base-Base interactions energy: -1640.382
where: short stacking energy: -712.617
Base-Backbone interact. energy: -5.035
local terms energy: -765.232364
where:
bonds (distance) C4'-P energy: -130.647
bonds (distance) P-C4' energy: -148.056
flat angles C4'-P-C4' energy: -166.661
flat angles P-C4'-P energy: -114.811
tors. eta vs tors. theta energy: -205.058
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: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2308.659121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.659121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.659121 (E_RNA)
where:
Base-Base interactions energy: -1606.480
where: short stacking energy: -680.747
Base-Backbone interact. energy: -2.992
local terms energy: -699.186747
where:
bonds (distance) C4'-P energy: -135.164
bonds (distance) P-C4' energy: -122.413
flat angles C4'-P-C4' energy: -165.930
flat angles P-C4'-P energy: -84.593
tors. eta vs tors. theta energy: -191.086
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: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2187.919748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.919748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.919748 (E_RNA)
where:
Base-Base interactions energy: -1478.674
where: short stacking energy: -674.257
Base-Backbone interact. energy: -1.750
local terms energy: -707.495310
where:
bonds (distance) C4'-P energy: -132.053
bonds (distance) P-C4' energy: -124.324
flat angles C4'-P-C4' energy: -162.857
flat angles P-C4'-P energy: -92.685
tors. eta vs tors. theta energy: -195.576
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: 213
Temperature: 1.150000
Total energy: -2044.556726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.556726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.556726 (E_RNA)
where:
Base-Base interactions energy: -1397.112
where: short stacking energy: -611.115
Base-Backbone interact. energy: -2.932
local terms energy: -644.512803
where:
bonds (distance) C4'-P energy: -122.714
bonds (distance) P-C4' energy: -129.536
flat angles C4'-P-C4' energy: -133.717
flat angles P-C4'-P energy: -86.450
tors. eta vs tors. theta energy: -172.096
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: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1567.477263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.477263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.477263 (E_RNA)
where:
Base-Base interactions energy: -1005.538
where: short stacking energy: -473.148
Base-Backbone interact. energy: -1.217
local terms energy: -560.722205
where:
bonds (distance) C4'-P energy: -112.497
bonds (distance) P-C4' energy: -112.147
flat angles C4'-P-C4' energy: -136.234
flat angles P-C4'-P energy: -97.812
tors. eta vs tors. theta energy: -102.032
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: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1455.808975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.808975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.808975 (E_RNA)
where:
Base-Base interactions energy: -933.618
where: short stacking energy: -420.625
Base-Backbone interact. energy: -2.043
local terms energy: -520.148504
where:
bonds (distance) C4'-P energy: -116.404
bonds (distance) P-C4' energy: -133.444
flat angles C4'-P-C4' energy: -109.281
flat angles P-C4'-P energy: -69.863
tors. eta vs tors. theta energy: -91.155
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: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1227.376571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.376571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.376571 (E_RNA)
where:
Base-Base interactions energy: -749.054
where: short stacking energy: -360.135
Base-Backbone interact. energy: -4.508
local terms energy: -473.814399
where:
bonds (distance) C4'-P energy: -123.232
bonds (distance) P-C4' energy: -97.771
flat angles C4'-P-C4' energy: -118.082
flat angles P-C4'-P energy: -77.506
tors. eta vs tors. theta energy: -57.225
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: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -762.238005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.238005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.238005 (E_RNA)
where:
Base-Base interactions energy: -389.525
where: short stacking energy: -206.061
Base-Backbone interact. energy: 4.329
local terms energy: -377.041265
where:
bonds (distance) C4'-P energy: -123.464
bonds (distance) P-C4' energy: -126.403
flat angles C4'-P-C4' energy: -92.188
flat angles P-C4'-P energy: -52.268
tors. eta vs tors. theta energy: 17.282
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: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2588.151430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.151430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.151430 (E_RNA)
where:
Base-Base interactions energy: -1801.112
where: short stacking energy: -752.140
Base-Backbone interact. energy: 1.494
local terms energy: -788.533148
where:
bonds (distance) C4'-P energy: -140.803
bonds (distance) P-C4' energy: -152.557
flat angles C4'-P-C4' energy: -167.381
flat angles P-C4'-P energy: -107.460
tors. eta vs tors. theta energy: -220.333
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: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2442.082369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.082369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.082369 (E_RNA)
where:
Base-Base interactions energy: -1685.222
where: short stacking energy: -752.664
Base-Backbone interact. energy: -2.938
local terms energy: -753.922769
where:
bonds (distance) C4'-P energy: -139.654
bonds (distance) P-C4' energy: -139.637
flat angles C4'-P-C4' energy: -156.063
flat angles P-C4'-P energy: -110.108
tors. eta vs tors. theta energy: -208.461
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: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2434.268017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.268017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.268017 (E_RNA)
where:
Base-Base interactions energy: -1677.507
where: short stacking energy: -707.678
Base-Backbone interact. energy: -0.751
local terms energy: -756.009416
where:
bonds (distance) C4'-P energy: -120.363
bonds (distance) P-C4' energy: -159.119
flat angles C4'-P-C4' energy: -160.721
flat angles P-C4'-P energy: -109.876
tors. eta vs tors. theta energy: -205.931
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: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2349.435200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.435200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.435200 (E_RNA)
where:
Base-Base interactions energy: -1648.209
where: short stacking energy: -695.080
Base-Backbone interact. energy: 1.637
local terms energy: -702.863394
where:
bonds (distance) C4'-P energy: -140.305
bonds (distance) P-C4' energy: -113.806
flat angles C4'-P-C4' energy: -147.804
flat angles P-C4'-P energy: -103.855
tors. eta vs tors. theta energy: -197.093
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: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2173.557060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.557060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.557060 (E_RNA)
where:
Base-Base interactions energy: -1477.918
where: short stacking energy: -641.562
Base-Backbone interact. energy: -4.217
local terms energy: -691.421915
where:
bonds (distance) C4'-P energy: -128.159
bonds (distance) P-C4' energy: -135.623
flat angles C4'-P-C4' energy: -149.019
flat angles P-C4'-P energy: -103.210
tors. eta vs tors. theta energy: -175.411
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: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2000.279357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.279357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.279357 (E_RNA)
where:
Base-Base interactions energy: -1349.857
where: short stacking energy: -571.006
Base-Backbone interact. energy: -1.240
local terms energy: -649.181963
where:
bonds (distance) C4'-P energy: -136.204
bonds (distance) P-C4' energy: -133.015
flat angles C4'-P-C4' energy: -155.280
flat angles P-C4'-P energy: -79.530
tors. eta vs tors. theta energy: -145.153
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: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1574.316537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.316537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.316537 (E_RNA)
where:
Base-Base interactions energy: -976.609
where: short stacking energy: -480.501
Base-Backbone interact. energy: -1.827
local terms energy: -595.880828
where:
bonds (distance) C4'-P energy: -120.877
bonds (distance) P-C4' energy: -127.831
flat angles C4'-P-C4' energy: -138.962
flat angles P-C4'-P energy: -82.500
tors. eta vs tors. theta energy: -125.712
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: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1432.954784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.954784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.954784 (E_RNA)
where:
Base-Base interactions energy: -913.647
where: short stacking energy: -412.553
Base-Backbone interact. energy: 2.778
local terms energy: -522.085507
where:
bonds (distance) C4'-P energy: -103.517
bonds (distance) P-C4' energy: -127.566
flat angles C4'-P-C4' energy: -134.054
flat angles P-C4'-P energy: -65.687
tors. eta vs tors. theta energy: -91.260
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: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1260.084523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.084523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.084523 (E_RNA)
where:
Base-Base interactions energy: -761.847
where: short stacking energy: -379.494
Base-Backbone interact. energy: -1.023
local terms energy: -497.214615
where:
bonds (distance) C4'-P energy: -97.491
bonds (distance) P-C4' energy: -139.162
flat angles C4'-P-C4' energy: -128.317
flat angles P-C4'-P energy: -54.957
tors. eta vs tors. theta energy: -77.288
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: 10, replica: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -784.537489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.537489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.537489 (E_RNA)
where:
Base-Base interactions energy: -363.296
where: short stacking energy: -221.653
Base-Backbone interact. energy: -2.143
local terms energy: -419.098071
where:
bonds (distance) C4'-P energy: -111.120
bonds (distance) P-C4' energy: -144.749
flat angles C4'-P-C4' energy: -109.155
flat angles P-C4'-P energy: -67.201
tors. eta vs tors. theta energy: 13.127
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: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2595.576963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.576963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.576963 (E_RNA)
where:
Base-Base interactions energy: -1786.322
where: short stacking energy: -769.324
Base-Backbone interact. energy: -4.852
local terms energy: -804.403487
where:
bonds (distance) C4'-P energy: -146.151
bonds (distance) P-C4' energy: -147.293
flat angles C4'-P-C4' energy: -168.832
flat angles P-C4'-P energy: -115.289
tors. eta vs tors. theta energy: -226.838
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: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2455.090752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.090752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.090752 (E_RNA)
where:
Base-Base interactions energy: -1677.381
where: short stacking energy: -742.902
Base-Backbone interact. energy: -0.381
local terms energy: -777.329064
where:
bonds (distance) C4'-P energy: -136.549
bonds (distance) P-C4' energy: -150.373
flat angles C4'-P-C4' energy: -159.616
flat angles P-C4'-P energy: -110.769
tors. eta vs tors. theta energy: -220.021
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: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2412.418091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.418091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.418091 (E_RNA)
where:
Base-Base interactions energy: -1686.665
where: short stacking energy: -725.082
Base-Backbone interact. energy: -0.331
local terms energy: -725.422415
where:
bonds (distance) C4'-P energy: -129.288
bonds (distance) P-C4' energy: -140.943
flat angles C4'-P-C4' energy: -150.403
flat angles P-C4'-P energy: -105.213
tors. eta vs tors. theta energy: -199.575
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: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2333.047217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.047217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.047217 (E_RNA)
where:
Base-Base interactions energy: -1608.632
where: short stacking energy: -701.028
Base-Backbone interact. energy: 0.319
local terms energy: -724.734232
where:
bonds (distance) C4'-P energy: -124.370
bonds (distance) P-C4' energy: -154.415
flat angles C4'-P-C4' energy: -158.336
flat angles P-C4'-P energy: -91.377
tors. eta vs tors. theta energy: -196.237
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: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2168.311145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.311145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.311145 (E_RNA)
where:
Base-Base interactions energy: -1486.941
where: short stacking energy: -645.912
Base-Backbone interact. energy: -4.073
local terms energy: -677.297304
where:
bonds (distance) C4'-P energy: -135.497
bonds (distance) P-C4' energy: -140.685
flat angles C4'-P-C4' energy: -150.774
flat angles P-C4'-P energy: -80.107
tors. eta vs tors. theta energy: -170.234
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: 215
Temperature: 1.150000
Total energy: -2010.451958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.451958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.451958 (E_RNA)
where:
Base-Base interactions energy: -1341.914
where: short stacking energy: -592.500
Base-Backbone interact. energy: -1.732
local terms energy: -666.805908
where:
bonds (distance) C4'-P energy: -118.497
bonds (distance) P-C4' energy: -128.877
flat angles C4'-P-C4' energy: -149.429
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -172.857
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: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1577.550980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.550980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.550980 (E_RNA)
where:
Base-Base interactions energy: -1009.607
where: short stacking energy: -454.342
Base-Backbone interact. energy: -3.302
local terms energy: -564.641742
where:
bonds (distance) C4'-P energy: -115.598
bonds (distance) P-C4' energy: -127.909
flat angles C4'-P-C4' energy: -126.951
flat angles P-C4'-P energy: -84.839
tors. eta vs tors. theta energy: -109.344
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: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1457.392848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.392848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.392848 (E_RNA)
where:
Base-Base interactions energy: -913.634
where: short stacking energy: -418.191
Base-Backbone interact. energy: 3.029
local terms energy: -546.788193
where:
bonds (distance) C4'-P energy: -112.491
bonds (distance) P-C4' energy: -144.621
flat angles C4'-P-C4' energy: -145.267
flat angles P-C4'-P energy: -59.597
tors. eta vs tors. theta energy: -84.811
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: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1225.247785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.247785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.247785 (E_RNA)
where:
Base-Base interactions energy: -739.652
where: short stacking energy: -368.432
Base-Backbone interact. energy: -2.821
local terms energy: -482.774978
where:
bonds (distance) C4'-P energy: -110.374
bonds (distance) P-C4' energy: -119.097
flat angles C4'-P-C4' energy: -131.687
flat angles P-C4'-P energy: -55.033
tors. eta vs tors. theta energy: -66.584
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: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -760.112467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.112467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.112467 (E_RNA)
where:
Base-Base interactions energy: -380.157
where: short stacking energy: -224.103
Base-Backbone interact. energy: -2.266
local terms energy: -377.688953
where:
bonds (distance) C4'-P energy: -113.166
bonds (distance) P-C4' energy: -110.849
flat angles C4'-P-C4' energy: -94.972
flat angles P-C4'-P energy: -63.278
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: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2603.096709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.096709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.096709 (E_RNA)
where:
Base-Base interactions energy: -1809.854
where: short stacking energy: -725.361
Base-Backbone interact. energy: -3.334
local terms energy: -789.908635
where:
bonds (distance) C4'-P energy: -136.223
bonds (distance) P-C4' energy: -154.561
flat angles C4'-P-C4' energy: -161.127
flat angles P-C4'-P energy: -111.212
tors. eta vs tors. theta energy: -226.787
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: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2441.115234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.115234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.115234 (E_RNA)
where:
Base-Base interactions energy: -1664.747
where: short stacking energy: -740.584
Base-Backbone interact. energy: -3.579
local terms energy: -772.789132
where:
bonds (distance) C4'-P energy: -140.957
bonds (distance) P-C4' energy: -146.017
flat angles C4'-P-C4' energy: -165.337
flat angles P-C4'-P energy: -108.635
tors. eta vs tors. theta energy: -211.844
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: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2402.481984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.481984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.481984 (E_RNA)
where:
Base-Base interactions energy: -1674.197
where: short stacking energy: -685.230
Base-Backbone interact. energy: -4.746
local terms energy: -723.539058
where:
bonds (distance) C4'-P energy: -123.524
bonds (distance) P-C4' energy: -130.309
flat angles C4'-P-C4' energy: -170.775
flat angles P-C4'-P energy: -104.289
tors. eta vs tors. theta energy: -194.641
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: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2305.164939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.164939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.164939 (E_RNA)
where:
Base-Base interactions energy: -1586.154
where: short stacking energy: -652.272
Base-Backbone interact. energy: 0.731
local terms energy: -719.742067
where:
bonds (distance) C4'-P energy: -139.718
bonds (distance) P-C4' energy: -144.633
flat angles C4'-P-C4' energy: -153.034
flat angles P-C4'-P energy: -95.273
tors. eta vs tors. theta energy: -187.085
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: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2189.572164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.572164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.572164 (E_RNA)
where:
Base-Base interactions energy: -1509.879
where: short stacking energy: -642.803
Base-Backbone interact. energy: -1.383
local terms energy: -678.310094
where:
bonds (distance) C4'-P energy: -115.035
bonds (distance) P-C4' energy: -122.753
flat angles C4'-P-C4' energy: -169.249
flat angles P-C4'-P energy: -83.470
tors. eta vs tors. theta energy: -187.803
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: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1919.628914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.628914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.628914 (E_RNA)
where:
Base-Base interactions energy: -1282.599
where: short stacking energy: -575.031
Base-Backbone interact. energy: 6.189
local terms energy: -643.219455
where:
bonds (distance) C4'-P energy: -134.141
bonds (distance) P-C4' energy: -135.027
flat angles C4'-P-C4' energy: -145.585
flat angles P-C4'-P energy: -72.235
tors. eta vs tors. theta energy: -156.232
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: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1588.973680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.973680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.973680 (E_RNA)
where:
Base-Base interactions energy: -1015.208
where: short stacking energy: -437.407
Base-Backbone interact. energy: 0.370
local terms energy: -574.134895
where:
bonds (distance) C4'-P energy: -130.474
bonds (distance) P-C4' energy: -131.919
flat angles C4'-P-C4' energy: -124.874
flat angles P-C4'-P energy: -93.224
tors. eta vs tors. theta energy: -93.644
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: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1457.910497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.910497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.910497 (E_RNA)
where:
Base-Base interactions energy: -919.748
where: short stacking energy: -414.914
Base-Backbone interact. energy: 2.449
local terms energy: -540.612179
where:
bonds (distance) C4'-P energy: -124.465
bonds (distance) P-C4' energy: -116.700
flat angles C4'-P-C4' energy: -120.031
flat angles P-C4'-P energy: -74.657
tors. eta vs tors. theta energy: -104.759
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: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1130.911956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.911956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.911956 (E_RNA)
where:
Base-Base interactions energy: -674.245
where: short stacking energy: -343.619
Base-Backbone interact. energy: 1.457
local terms energy: -458.123766
where:
bonds (distance) C4'-P energy: -128.151
bonds (distance) P-C4' energy: -105.120
flat angles C4'-P-C4' energy: -115.849
flat angles P-C4'-P energy: -47.631
tors. eta vs tors. theta energy: -61.372
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: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -702.085007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.085007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.085007 (E_RNA)
where:
Base-Base interactions energy: -338.779
where: short stacking energy: -203.431
Base-Backbone interact. energy: 1.943
local terms energy: -365.248459
where:
bonds (distance) C4'-P energy: -114.498
bonds (distance) P-C4' energy: -97.455
flat angles C4'-P-C4' energy: -96.911
flat angles P-C4'-P energy: -66.853
tors. eta vs tors. theta energy: 10.468
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: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2607.776617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.776617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.776617 (E_RNA)
where:
Base-Base interactions energy: -1813.232
where: short stacking energy: -754.380
Base-Backbone interact. energy: -0.823
local terms energy: -793.721580
where:
bonds (distance) C4'-P energy: -137.714
bonds (distance) P-C4' energy: -142.281
flat angles C4'-P-C4' energy: -176.918
flat angles P-C4'-P energy: -110.658
tors. eta vs tors. theta energy: -226.151
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: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2457.836577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.836577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.836577 (E_RNA)
where:
Base-Base interactions energy: -1673.851
where: short stacking energy: -750.254
Base-Backbone interact. energy: -5.662
local terms energy: -778.323638
where:
bonds (distance) C4'-P energy: -140.466
bonds (distance) P-C4' energy: -140.565
flat angles C4'-P-C4' energy: -161.530
flat angles P-C4'-P energy: -112.210
tors. eta vs tors. theta energy: -223.553
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: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2393.167566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.167566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.167566 (E_RNA)
where:
Base-Base interactions energy: -1660.756
where: short stacking energy: -681.843
Base-Backbone interact. energy: -3.914
local terms energy: -728.497937
where:
bonds (distance) C4'-P energy: -131.746
bonds (distance) P-C4' energy: -147.673
flat angles C4'-P-C4' energy: -152.179
flat angles P-C4'-P energy: -113.203
tors. eta vs tors. theta energy: -183.697
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: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2259.495481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.495481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.495481 (E_RNA)
where:
Base-Base interactions energy: -1536.977
where: short stacking energy: -659.934
Base-Backbone interact. energy: -4.570
local terms energy: -717.948000
where:
bonds (distance) C4'-P energy: -133.085
bonds (distance) P-C4' energy: -140.061
flat angles C4'-P-C4' energy: -147.546
flat angles P-C4'-P energy: -110.155
tors. eta vs tors. theta energy: -187.102
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: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2134.042082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.042082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.042082 (E_RNA)
where:
Base-Base interactions energy: -1442.041
where: short stacking energy: -631.965
Base-Backbone interact. energy: -2.824
local terms energy: -689.176154
where:
bonds (distance) C4'-P energy: -138.067
bonds (distance) P-C4' energy: -131.196
flat angles C4'-P-C4' energy: -149.694
flat angles P-C4'-P energy: -99.820
tors. eta vs tors. theta energy: -170.399
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: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1973.636809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.636809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.636809 (E_RNA)
where:
Base-Base interactions energy: -1332.757
where: short stacking energy: -569.397
Base-Backbone interact. energy: 3.255
local terms energy: -644.134286
where:
bonds (distance) C4'-P energy: -117.316
bonds (distance) P-C4' energy: -138.425
flat angles C4'-P-C4' energy: -138.681
flat angles P-C4'-P energy: -98.099
tors. eta vs tors. theta energy: -151.613
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: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1627.939365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.939365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.939365 (E_RNA)
where:
Base-Base interactions energy: -1059.342
where: short stacking energy: -483.351
Base-Backbone interact. energy: -1.707
local terms energy: -566.889928
where:
bonds (distance) C4'-P energy: -136.382
bonds (distance) P-C4' energy: -108.658
flat angles C4'-P-C4' energy: -136.907
flat angles P-C4'-P energy: -79.233
tors. eta vs tors. theta energy: -105.709
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: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1414.060809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.060809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.060809 (E_RNA)
where:
Base-Base interactions energy: -899.418
where: short stacking energy: -425.304
Base-Backbone interact. energy: 3.884
local terms energy: -518.526986
where:
bonds (distance) C4'-P energy: -107.173
bonds (distance) P-C4' energy: -140.301
flat angles C4'-P-C4' energy: -117.579
flat angles P-C4'-P energy: -58.599
tors. eta vs tors. theta energy: -94.875
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: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1129.084252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.084252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.084252 (E_RNA)
where:
Base-Base interactions energy: -680.867
where: short stacking energy: -324.019
Base-Backbone interact. energy: -4.203
local terms energy: -444.013872
where:
bonds (distance) C4'-P energy: -103.949
bonds (distance) P-C4' energy: -115.867
flat angles C4'-P-C4' energy: -107.275
flat angles P-C4'-P energy: -55.116
tors. eta vs tors. theta energy: -61.807
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: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -684.224072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.224072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.224072 (E_RNA)
where:
Base-Base interactions energy: -314.882
where: short stacking energy: -209.580
Base-Backbone interact. energy: -0.322
local terms energy: -369.020156
where:
bonds (distance) C4'-P energy: -115.433
bonds (distance) P-C4' energy: -112.367
flat angles C4'-P-C4' energy: -100.124
flat angles P-C4'-P energy: -58.228
tors. eta vs tors. theta energy: 17.132
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: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2617.652083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.652083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.652083 (E_RNA)
where:
Base-Base interactions energy: -1836.014
where: short stacking energy: -765.945
Base-Backbone interact. energy: -3.890
local terms energy: -777.747956
where:
bonds (distance) C4'-P energy: -130.846
bonds (distance) P-C4' energy: -140.882
flat angles C4'-P-C4' energy: -171.074
flat angles P-C4'-P energy: -111.362
tors. eta vs tors. theta energy: -223.585
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: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2461.959616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.959616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.959616 (E_RNA)
where:
Base-Base interactions energy: -1685.225
where: short stacking energy: -743.055
Base-Backbone interact. energy: -3.460
local terms energy: -773.273941
where:
bonds (distance) C4'-P energy: -138.033
bonds (distance) P-C4' energy: -155.398
flat angles C4'-P-C4' energy: -167.588
flat angles P-C4'-P energy: -94.476
tors. eta vs tors. theta energy: -217.779
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: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2387.901661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.901661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.901661 (E_RNA)
where:
Base-Base interactions energy: -1635.349
where: short stacking energy: -691.513
Base-Backbone interact. energy: 2.264
local terms energy: -754.816543
where:
bonds (distance) C4'-P energy: -134.887
bonds (distance) P-C4' energy: -149.710
flat angles C4'-P-C4' energy: -157.251
flat angles P-C4'-P energy: -119.477
tors. eta vs tors. theta energy: -193.492
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: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2314.531615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.531615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.531615 (E_RNA)
where:
Base-Base interactions energy: -1589.786
where: short stacking energy: -679.431
Base-Backbone interact. energy: 2.845
local terms energy: -727.590514
where:
bonds (distance) C4'-P energy: -143.814
bonds (distance) P-C4' energy: -137.262
flat angles C4'-P-C4' energy: -151.105
flat angles P-C4'-P energy: -97.962
tors. eta vs tors. theta energy: -197.448
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: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2130.919335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.919335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.919335 (E_RNA)
where:
Base-Base interactions energy: -1470.782
where: short stacking energy: -635.895
Base-Backbone interact. energy: -2.377
local terms energy: -657.760049
where:
bonds (distance) C4'-P energy: -129.839
bonds (distance) P-C4' energy: -126.193
flat angles C4'-P-C4' energy: -141.808
flat angles P-C4'-P energy: -98.860
tors. eta vs tors. theta energy: -161.060
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: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1996.889769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.889769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.889769 (E_RNA)
where:
Base-Base interactions energy: -1331.947
where: short stacking energy: -581.389
Base-Backbone interact. energy: -0.570
local terms energy: -664.372702
where:
bonds (distance) C4'-P energy: -124.451
bonds (distance) P-C4' energy: -160.381
flat angles C4'-P-C4' energy: -136.221
flat angles P-C4'-P energy: -95.875
tors. eta vs tors. theta energy: -147.445
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: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1630.259689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.259689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.259689 (E_RNA)
where:
Base-Base interactions energy: -1066.662
where: short stacking energy: -476.348
Base-Backbone interact. energy: 2.272
local terms energy: -565.869128
where:
bonds (distance) C4'-P energy: -110.901
bonds (distance) P-C4' energy: -146.105
flat angles C4'-P-C4' energy: -126.404
flat angles P-C4'-P energy: -82.997
tors. eta vs tors. theta energy: -99.461
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: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1439.957558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.957558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.957558 (E_RNA)
where:
Base-Base interactions energy: -900.762
where: short stacking energy: -417.305
Base-Backbone interact. energy: -1.754
local terms energy: -537.441291
where:
bonds (distance) C4'-P energy: -138.668
bonds (distance) P-C4' energy: -109.412
flat angles C4'-P-C4' energy: -127.489
flat angles P-C4'-P energy: -73.302
tors. eta vs tors. theta energy: -88.570
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: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1150.623680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.623680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.623680 (E_RNA)
where:
Base-Base interactions energy: -665.614
where: short stacking energy: -331.206
Base-Backbone interact. energy: 4.257
local terms energy: -489.266911
where:
bonds (distance) C4'-P energy: -136.122
bonds (distance) P-C4' energy: -123.765
flat angles C4'-P-C4' energy: -108.794
flat angles P-C4'-P energy: -80.042
tors. eta vs tors. theta energy: -40.545
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: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -697.095573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.095573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.095573 (E_RNA)
where:
Base-Base interactions energy: -326.331
where: short stacking energy: -215.786
Base-Backbone interact. energy: 1.056
local terms energy: -371.820067
where:
bonds (distance) C4'-P energy: -115.465
bonds (distance) P-C4' energy: -120.616
flat angles C4'-P-C4' energy: -99.733
flat angles P-C4'-P energy: -47.553
tors. eta vs tors. theta energy: 11.547
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: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2600.248317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.248317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.248317 (E_RNA)
where:
Base-Base interactions energy: -1818.605
where: short stacking energy: -739.865
Base-Backbone interact. energy: -1.156
local terms energy: -780.487061
where:
bonds (distance) C4'-P energy: -149.182
bonds (distance) P-C4' energy: -149.096
flat angles C4'-P-C4' energy: -166.573
flat angles P-C4'-P energy: -105.661
tors. eta vs tors. theta energy: -209.975
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: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2427.977710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.977710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.977710 (E_RNA)
where:
Base-Base interactions energy: -1657.320
where: short stacking energy: -731.616
Base-Backbone interact. energy: -3.000
local terms energy: -767.657986
where:
bonds (distance) C4'-P energy: -134.066
bonds (distance) P-C4' energy: -150.023
flat angles C4'-P-C4' energy: -165.624
flat angles P-C4'-P energy: -105.878
tors. eta vs tors. theta energy: -212.066
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: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2382.153557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.153557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.153557 (E_RNA)
where:
Base-Base interactions energy: -1652.720
where: short stacking energy: -700.727
Base-Backbone interact. energy: -2.627
local terms energy: -726.805915
where:
bonds (distance) C4'-P energy: -131.211
bonds (distance) P-C4' energy: -138.719
flat angles C4'-P-C4' energy: -159.349
flat angles P-C4'-P energy: -106.888
tors. eta vs tors. theta energy: -190.639
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: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2326.136712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.136712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.136712 (E_RNA)
where:
Base-Base interactions energy: -1616.421
where: short stacking energy: -676.737
Base-Backbone interact. energy: -1.757
local terms energy: -707.959565
where:
bonds (distance) C4'-P energy: -134.378
bonds (distance) P-C4' energy: -140.465
flat angles C4'-P-C4' energy: -151.424
flat angles P-C4'-P energy: -97.167
tors. eta vs tors. theta energy: -184.525
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: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2158.629326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.629326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.629326 (E_RNA)
where:
Base-Base interactions energy: -1478.839
where: short stacking energy: -641.815
Base-Backbone interact. energy: -3.570
local terms energy: -676.220309
where:
bonds (distance) C4'-P energy: -121.304
bonds (distance) P-C4' energy: -143.164
flat angles C4'-P-C4' energy: -146.325
flat angles P-C4'-P energy: -100.374
tors. eta vs tors. theta energy: -165.053
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: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1959.275408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.275408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.275408 (E_RNA)
where:
Base-Base interactions energy: -1331.278
where: short stacking energy: -566.605
Base-Backbone interact. energy: -3.559
local terms energy: -624.438538
where:
bonds (distance) C4'-P energy: -137.275
bonds (distance) P-C4' energy: -137.391
flat angles C4'-P-C4' energy: -128.635
flat angles P-C4'-P energy: -79.552
tors. eta vs tors. theta energy: -141.586
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: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1610.935402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.935402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.935402 (E_RNA)
where:
Base-Base interactions energy: -1062.795
where: short stacking energy: -477.270
Base-Backbone interact. energy: -1.815
local terms energy: -546.324945
where:
bonds (distance) C4'-P energy: -136.318
bonds (distance) P-C4' energy: -121.302
flat angles C4'-P-C4' energy: -109.784
flat angles P-C4'-P energy: -73.121
tors. eta vs tors. theta energy: -105.800
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: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1501.157551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.157551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.157551 (E_RNA)
where:
Base-Base interactions energy: -912.234
where: short stacking energy: -402.402
Base-Backbone interact. energy: 1.863
local terms energy: -590.787244
where:
bonds (distance) C4'-P energy: -122.714
bonds (distance) P-C4' energy: -125.920
flat angles C4'-P-C4' energy: -143.122
flat angles P-C4'-P energy: -94.952
tors. eta vs tors. theta energy: -104.079
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: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1127.595099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.595099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.595099 (E_RNA)
where:
Base-Base interactions energy: -672.617
where: short stacking energy: -315.235
Base-Backbone interact. energy: -0.024
local terms energy: -454.953867
where:
bonds (distance) C4'-P energy: -120.262
bonds (distance) P-C4' energy: -121.680
flat angles C4'-P-C4' energy: -112.987
flat angles P-C4'-P energy: -69.147
tors. eta vs tors. theta energy: -30.878
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: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -749.786817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.786817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.786817 (E_RNA)
where:
Base-Base interactions energy: -337.364
where: short stacking energy: -222.880
Base-Backbone interact. energy: 0.338
local terms energy: -412.760353
where:
bonds (distance) C4'-P energy: -100.427
bonds (distance) P-C4' energy: -116.619
flat angles C4'-P-C4' energy: -130.334
flat angles P-C4'-P energy: -74.855
tors. eta vs tors. theta energy: 9.475
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: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2589.568621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.568621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.568621 (E_RNA)
where:
Base-Base interactions energy: -1794.870
where: short stacking energy: -740.816
Base-Backbone interact. energy: -3.266
local terms energy: -791.432079
where:
bonds (distance) C4'-P energy: -142.018
bonds (distance) P-C4' energy: -152.679
flat angles C4'-P-C4' energy: -165.524
flat angles P-C4'-P energy: -112.121
tors. eta vs tors. theta energy: -219.090
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: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2443.188227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.188227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.188227 (E_RNA)
where:
Base-Base interactions energy: -1669.462
where: short stacking energy: -723.348
Base-Backbone interact. energy: -3.743
local terms energy: -769.983913
where:
bonds (distance) C4'-P energy: -152.798
bonds (distance) P-C4' energy: -126.181
flat angles C4'-P-C4' energy: -153.886
flat angles P-C4'-P energy: -114.965
tors. eta vs tors. theta energy: -222.154
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: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2387.379956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.379956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.379956 (E_RNA)
where:
Base-Base interactions energy: -1641.693
where: short stacking energy: -712.009
Base-Backbone interact. energy: -1.832
local terms energy: -743.855171
where:
bonds (distance) C4'-P energy: -144.048
bonds (distance) P-C4' energy: -141.861
flat angles C4'-P-C4' energy: -151.610
flat angles P-C4'-P energy: -100.238
tors. eta vs tors. theta energy: -206.097
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: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2338.213468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.213468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.213468 (E_RNA)
where:
Base-Base interactions energy: -1623.064
where: short stacking energy: -674.680
Base-Backbone interact. energy: -1.524
local terms energy: -713.625409
where:
bonds (distance) C4'-P energy: -128.257
bonds (distance) P-C4' energy: -133.136
flat angles C4'-P-C4' energy: -154.846
flat angles P-C4'-P energy: -100.846
tors. eta vs tors. theta energy: -196.540
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: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2171.850211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.850211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.850211 (E_RNA)
where:
Base-Base interactions energy: -1484.582
where: short stacking energy: -649.899
Base-Backbone interact. energy: -4.046
local terms energy: -683.221623
where:
bonds (distance) C4'-P energy: -140.245
bonds (distance) P-C4' energy: -120.087
flat angles C4'-P-C4' energy: -149.746
flat angles P-C4'-P energy: -88.507
tors. eta vs tors. theta energy: -184.637
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: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1975.588618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.588618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.588618 (E_RNA)
where:
Base-Base interactions energy: -1330.165
where: short stacking energy: -565.770
Base-Backbone interact. energy: -2.313
local terms energy: -643.110940
where:
bonds (distance) C4'-P energy: -138.743
bonds (distance) P-C4' energy: -106.528
flat angles C4'-P-C4' energy: -144.914
flat angles P-C4'-P energy: -95.657
tors. eta vs tors. theta energy: -157.270
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: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1638.487600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.487600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.487600 (E_RNA)
where:
Base-Base interactions energy: -1058.156
where: short stacking energy: -488.159
Base-Backbone interact. energy: -1.720
local terms energy: -578.611680
where:
bonds (distance) C4'-P energy: -131.347
bonds (distance) P-C4' energy: -112.978
flat angles C4'-P-C4' energy: -140.707
flat angles P-C4'-P energy: -80.320
tors. eta vs tors. theta energy: -113.260
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: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1462.922085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.922085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.922085 (E_RNA)
where:
Base-Base interactions energy: -925.013
where: short stacking energy: -434.200
Base-Backbone interact. energy: -6.273
local terms energy: -531.636374
where:
bonds (distance) C4'-P energy: -125.038
bonds (distance) P-C4' energy: -123.069
flat angles C4'-P-C4' energy: -112.474
flat angles P-C4'-P energy: -69.198
tors. eta vs tors. theta energy: -101.858
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: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1136.160950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.160950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.160950 (E_RNA)
where:
Base-Base interactions energy: -660.299
where: short stacking energy: -303.629
Base-Backbone interact. energy: -3.015
local terms energy: -472.847343
where:
bonds (distance) C4'-P energy: -117.218
bonds (distance) P-C4' energy: -138.737
flat angles C4'-P-C4' energy: -115.454
flat angles P-C4'-P energy: -66.915
tors. eta vs tors. theta energy: -34.523
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: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -696.436809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.436809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.436809 (E_RNA)
where:
Base-Base interactions energy: -309.249
where: short stacking energy: -215.169
Base-Backbone interact. energy: -1.136
local terms energy: -386.052222
where:
bonds (distance) C4'-P energy: -121.950
bonds (distance) P-C4' energy: -126.600
flat angles C4'-P-C4' energy: -97.720
flat angles P-C4'-P energy: -57.218
tors. eta vs tors. theta energy: 17.436
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: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2595.959520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.959520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.959520 (E_RNA)
where:
Base-Base interactions energy: -1804.547
where: short stacking energy: -740.503
Base-Backbone interact. energy: -0.309
local terms energy: -791.103154
where:
bonds (distance) C4'-P energy: -148.632
bonds (distance) P-C4' energy: -143.583
flat angles C4'-P-C4' energy: -169.016
flat angles P-C4'-P energy: -110.951
tors. eta vs tors. theta energy: -218.922
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: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2467.273524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.273524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.273524 (E_RNA)
where:
Base-Base interactions energy: -1689.766
where: short stacking energy: -710.307
Base-Backbone interact. energy: -5.447
local terms energy: -772.060746
where:
bonds (distance) C4'-P energy: -131.219
bonds (distance) P-C4' energy: -144.615
flat angles C4'-P-C4' energy: -171.651
flat angles P-C4'-P energy: -116.991
tors. eta vs tors. theta energy: -207.584
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: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2369.746431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.746431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.746431 (E_RNA)
where:
Base-Base interactions energy: -1626.017
where: short stacking energy: -681.738
Base-Backbone interact. energy: -2.115
local terms energy: -741.613860
where:
bonds (distance) C4'-P energy: -136.239
bonds (distance) P-C4' energy: -143.773
flat angles C4'-P-C4' energy: -165.357
flat angles P-C4'-P energy: -101.562
tors. eta vs tors. theta energy: -194.683
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: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2271.121812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.121812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.121812 (E_RNA)
where:
Base-Base interactions energy: -1548.158
where: short stacking energy: -694.109
Base-Backbone interact. energy: -3.309
local terms energy: -719.655301
where:
bonds (distance) C4'-P energy: -137.479
bonds (distance) P-C4' energy: -143.684
flat angles C4'-P-C4' energy: -151.239
flat angles P-C4'-P energy: -101.536
tors. eta vs tors. theta energy: -185.718
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: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2264.367250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.367250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.367250 (E_RNA)
where:
Base-Base interactions energy: -1585.283
where: short stacking energy: -676.664
Base-Backbone interact. energy: -4.038
local terms energy: -675.045809
where:
bonds (distance) C4'-P energy: -121.592
bonds (distance) P-C4' energy: -123.222
flat angles C4'-P-C4' energy: -149.475
flat angles P-C4'-P energy: -95.490
tors. eta vs tors. theta energy: -185.266
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: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1964.416770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.416770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.416770 (E_RNA)
where:
Base-Base interactions energy: -1319.397
where: short stacking energy: -578.266
Base-Backbone interact. energy: -1.341
local terms energy: -643.678563
where:
bonds (distance) C4'-P energy: -118.747
bonds (distance) P-C4' energy: -140.028
flat angles C4'-P-C4' energy: -137.647
flat angles P-C4'-P energy: -88.228
tors. eta vs tors. theta energy: -159.028
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: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1599.428318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.428318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.428318 (E_RNA)
where:
Base-Base interactions energy: -1040.465
where: short stacking energy: -460.606
Base-Backbone interact. energy: -3.760
local terms energy: -555.203123
where:
bonds (distance) C4'-P energy: -119.522
bonds (distance) P-C4' energy: -136.533
flat angles C4'-P-C4' energy: -115.665
flat angles P-C4'-P energy: -79.497
tors. eta vs tors. theta energy: -103.985
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: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1449.175341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.175341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.175341 (E_RNA)
where:
Base-Base interactions energy: -926.584
where: short stacking energy: -398.165
Base-Backbone interact. energy: -0.553
local terms energy: -522.038394
where:
bonds (distance) C4'-P energy: -120.564
bonds (distance) P-C4' energy: -105.679
flat angles C4'-P-C4' energy: -118.338
flat angles P-C4'-P energy: -84.392
tors. eta vs tors. theta energy: -93.066
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: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1175.610676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.610676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.610676 (E_RNA)
where:
Base-Base interactions energy: -704.944
where: short stacking energy: -364.096
Base-Backbone interact. energy: -0.250
local terms energy: -470.416824
where:
bonds (distance) C4'-P energy: -121.085
bonds (distance) P-C4' energy: -110.637
flat angles C4'-P-C4' energy: -110.591
flat angles P-C4'-P energy: -54.322
tors. eta vs tors. theta energy: -73.782
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: 10, replica: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -700.482533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.482533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.482533 (E_RNA)
where:
Base-Base interactions energy: -316.441
where: short stacking energy: -192.384
Base-Backbone interact. energy: -5.975
local terms energy: -378.066885
where:
bonds (distance) C4'-P energy: -104.720
bonds (distance) P-C4' energy: -126.802
flat angles C4'-P-C4' energy: -107.090
flat angles P-C4'-P energy: -52.769
tors. eta vs tors. theta energy: 13.315
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: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2540.876247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.876247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.876247 (E_RNA)
where:
Base-Base interactions energy: -1745.258
where: short stacking energy: -770.500
Base-Backbone interact. energy: -3.836
local terms energy: -791.782948
where:
bonds (distance) C4'-P energy: -143.613
bonds (distance) P-C4' energy: -151.592
flat angles C4'-P-C4' energy: -164.038
flat angles P-C4'-P energy: -117.115
tors. eta vs tors. theta energy: -215.424
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: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2535.842162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.842162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.842162 (E_RNA)
where:
Base-Base interactions energy: -1756.497
where: short stacking energy: -749.316
Base-Backbone interact. energy: -4.272
local terms energy: -775.073431
where:
bonds (distance) C4'-P energy: -136.226
bonds (distance) P-C4' energy: -129.466
flat angles C4'-P-C4' energy: -171.194
flat angles P-C4'-P energy: -117.990
tors. eta vs tors. theta energy: -220.199
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: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2383.956047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.956047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.956047 (E_RNA)
where:
Base-Base interactions energy: -1648.897
where: short stacking energy: -707.412
Base-Backbone interact. energy: -2.194
local terms energy: -732.865134
where:
bonds (distance) C4'-P energy: -139.115
bonds (distance) P-C4' energy: -126.876
flat angles C4'-P-C4' energy: -155.658
flat angles P-C4'-P energy: -115.505
tors. eta vs tors. theta energy: -195.711
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: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2238.066318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.066318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.066318 (E_RNA)
where:
Base-Base interactions energy: -1516.639
where: short stacking energy: -666.055
Base-Backbone interact. energy: -0.885
local terms energy: -720.542668
where:
bonds (distance) C4'-P energy: -130.964
bonds (distance) P-C4' energy: -130.703
flat angles C4'-P-C4' energy: -162.412
flat angles P-C4'-P energy: -110.496
tors. eta vs tors. theta energy: -185.968
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: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2236.403142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.403142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.403142 (E_RNA)
where:
Base-Base interactions energy: -1546.459
where: short stacking energy: -650.967
Base-Backbone interact. energy: -2.068
local terms energy: -687.876022
where:
bonds (distance) C4'-P energy: -120.482
bonds (distance) P-C4' energy: -129.594
flat angles C4'-P-C4' energy: -143.038
flat angles P-C4'-P energy: -97.755
tors. eta vs tors. theta energy: -197.007
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: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1993.869972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.869972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.869972 (E_RNA)
where:
Base-Base interactions energy: -1349.350
where: short stacking energy: -581.074
Base-Backbone interact. energy: -0.332
local terms energy: -644.188279
where:
bonds (distance) C4'-P energy: -129.918
bonds (distance) P-C4' energy: -135.925
flat angles C4'-P-C4' energy: -133.676
flat angles P-C4'-P energy: -91.076
tors. eta vs tors. theta energy: -153.592
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: 222
Temperature: 1.200000
Total energy: -1658.712352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.712352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.712352 (E_RNA)
where:
Base-Base interactions energy: -1079.435
where: short stacking energy: -496.666
Base-Backbone interact. energy: 0.128
local terms energy: -579.404931
where:
bonds (distance) C4'-P energy: -121.468
bonds (distance) P-C4' energy: -117.720
flat angles C4'-P-C4' energy: -141.514
flat angles P-C4'-P energy: -82.251
tors. eta vs tors. theta energy: -116.452
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: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1499.455044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.455044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.455044 (E_RNA)
where:
Base-Base interactions energy: -973.078
where: short stacking energy: -460.644
Base-Backbone interact. energy: -0.308
local terms energy: -526.068696
where:
bonds (distance) C4'-P energy: -105.685
bonds (distance) P-C4' energy: -118.791
flat angles C4'-P-C4' energy: -121.865
flat angles P-C4'-P energy: -73.351
tors. eta vs tors. theta energy: -106.377
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: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1165.266291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.266291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.266291 (E_RNA)
where:
Base-Base interactions energy: -705.625
where: short stacking energy: -350.794
Base-Backbone interact. energy: -1.706
local terms energy: -457.935447
where:
bonds (distance) C4'-P energy: -98.442
bonds (distance) P-C4' energy: -117.875
flat angles C4'-P-C4' energy: -104.048
flat angles P-C4'-P energy: -67.765
tors. eta vs tors. theta energy: -69.806
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: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -739.737973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.737973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.737973 (E_RNA)
where:
Base-Base interactions energy: -361.404
where: short stacking energy: -257.084
Base-Backbone interact. energy: 1.890
local terms energy: -380.224384
where:
bonds (distance) C4'-P energy: -112.298
bonds (distance) P-C4' energy: -104.064
flat angles C4'-P-C4' energy: -105.622
flat angles P-C4'-P energy: -50.726
tors. eta vs tors. theta energy: -7.515
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: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2512.781260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.781260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.781260 (E_RNA)
where:
Base-Base interactions energy: -1731.630
where: short stacking energy: -752.009
Base-Backbone interact. energy: -2.627
local terms energy: -778.524819
where:
bonds (distance) C4'-P energy: -142.213
bonds (distance) P-C4' energy: -141.929
flat angles C4'-P-C4' energy: -167.477
flat angles P-C4'-P energy: -110.980
tors. eta vs tors. theta energy: -215.926
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: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2533.561644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.561644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.561644 (E_RNA)
where:
Base-Base interactions energy: -1756.101
where: short stacking energy: -748.351
Base-Backbone interact. energy: -2.280
local terms energy: -775.180129
where:
bonds (distance) C4'-P energy: -129.323
bonds (distance) P-C4' energy: -156.709
flat angles C4'-P-C4' energy: -164.601
flat angles P-C4'-P energy: -103.482
tors. eta vs tors. theta energy: -221.064
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: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2401.258597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.258597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.258597 (E_RNA)
where:
Base-Base interactions energy: -1671.516
where: short stacking energy: -700.204
Base-Backbone interact. energy: -3.777
local terms energy: -725.965648
where:
bonds (distance) C4'-P energy: -141.368
bonds (distance) P-C4' energy: -131.125
flat angles C4'-P-C4' energy: -160.291
flat angles P-C4'-P energy: -112.966
tors. eta vs tors. theta energy: -180.216
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: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2222.987767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.987767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.987767 (E_RNA)
where:
Base-Base interactions energy: -1536.111
where: short stacking energy: -680.944
Base-Backbone interact. energy: -2.841
local terms energy: -684.035719
where:
bonds (distance) C4'-P energy: -119.673
bonds (distance) P-C4' energy: -116.262
flat angles C4'-P-C4' energy: -153.398
flat angles P-C4'-P energy: -105.259
tors. eta vs tors. theta energy: -189.445
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: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2194.204127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.204127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.204127 (E_RNA)
where:
Base-Base interactions energy: -1524.377
where: short stacking energy: -653.558
Base-Backbone interact. energy: -0.357
local terms energy: -669.469594
where:
bonds (distance) C4'-P energy: -123.740
bonds (distance) P-C4' energy: -125.067
flat angles C4'-P-C4' energy: -143.273
flat angles P-C4'-P energy: -98.635
tors. eta vs tors. theta energy: -178.755
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: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1986.144971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.144971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.144971 (E_RNA)
where:
Base-Base interactions energy: -1356.212
where: short stacking energy: -567.176
Base-Backbone interact. energy: -1.385
local terms energy: -628.548316
where:
bonds (distance) C4'-P energy: -124.172
bonds (distance) P-C4' energy: -123.143
flat angles C4'-P-C4' energy: -142.579
flat angles P-C4'-P energy: -95.372
tors. eta vs tors. theta energy: -143.283
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: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1661.440058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.440058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.440058 (E_RNA)
where:
Base-Base interactions energy: -1094.480
where: short stacking energy: -487.316
Base-Backbone interact. energy: -1.816
local terms energy: -565.144347
where:
bonds (distance) C4'-P energy: -108.353
bonds (distance) P-C4' energy: -119.571
flat angles C4'-P-C4' energy: -135.429
flat angles P-C4'-P energy: -92.542
tors. eta vs tors. theta energy: -109.249
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: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1586.120703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.120703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.120703 (E_RNA)
where:
Base-Base interactions energy: -1055.123
where: short stacking energy: -458.774
Base-Backbone interact. energy: -3.573
local terms energy: -527.424866
where:
bonds (distance) C4'-P energy: -91.251
bonds (distance) P-C4' energy: -110.005
flat angles C4'-P-C4' energy: -146.490
flat angles P-C4'-P energy: -78.928
tors. eta vs tors. theta energy: -100.751
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: 9, replica: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1119.902904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.902904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.902904 (E_RNA)
where:
Base-Base interactions energy: -675.414
where: short stacking energy: -342.726
Base-Backbone interact. energy: -0.714
local terms energy: -443.775020
where:
bonds (distance) C4'-P energy: -109.186
bonds (distance) P-C4' energy: -100.880
flat angles C4'-P-C4' energy: -116.446
flat angles P-C4'-P energy: -67.158
tors. eta vs tors. theta energy: -50.105
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: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -741.959963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.959963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.959963 (E_RNA)
where:
Base-Base interactions energy: -378.923
where: short stacking energy: -234.773
Base-Backbone interact. energy: 2.123
local terms energy: -365.160420
where:
bonds (distance) C4'-P energy: -100.884
bonds (distance) P-C4' energy: -108.212
flat angles C4'-P-C4' energy: -126.993
flat angles P-C4'-P energy: -41.121
tors. eta vs tors. theta energy: 12.049
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: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2519.218977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.218977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.218977 (E_RNA)
where:
Base-Base interactions energy: -1720.234
where: short stacking energy: -747.050
Base-Backbone interact. energy: -3.088
local terms energy: -795.896389
where:
bonds (distance) C4'-P energy: -137.540
bonds (distance) P-C4' energy: -155.997
flat angles C4'-P-C4' energy: -174.007
flat angles P-C4'-P energy: -113.367
tors. eta vs tors. theta energy: -214.986
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: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2552.882717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.882717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.882717 (E_RNA)
where:
Base-Base interactions energy: -1780.637
where: short stacking energy: -771.568
Base-Backbone interact. energy: -1.877
local terms energy: -770.368919
where:
bonds (distance) C4'-P energy: -134.825
bonds (distance) P-C4' energy: -135.542
flat angles C4'-P-C4' energy: -175.197
flat angles P-C4'-P energy: -108.513
tors. eta vs tors. theta energy: -216.292
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: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2401.861557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.861557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.861557 (E_RNA)
where:
Base-Base interactions energy: -1668.929
where: short stacking energy: -695.524
Base-Backbone interact. energy: -3.703
local terms energy: -729.229725
where:
bonds (distance) C4'-P energy: -135.759
bonds (distance) P-C4' energy: -138.981
flat angles C4'-P-C4' energy: -152.529
flat angles P-C4'-P energy: -109.957
tors. eta vs tors. theta energy: -192.004
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: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2198.190457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.190457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.190457 (E_RNA)
where:
Base-Base interactions energy: -1481.824
where: short stacking energy: -654.022
Base-Backbone interact. energy: -3.122
local terms energy: -713.243950
where:
bonds (distance) C4'-P energy: -141.176
bonds (distance) P-C4' energy: -138.721
flat angles C4'-P-C4' energy: -141.174
flat angles P-C4'-P energy: -98.306
tors. eta vs tors. theta energy: -193.867
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: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2209.357677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.357677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.357677 (E_RNA)
where:
Base-Base interactions energy: -1502.660
where: short stacking energy: -639.056
Base-Backbone interact. energy: -3.070
local terms energy: -703.627300
where:
bonds (distance) C4'-P energy: -125.704
bonds (distance) P-C4' energy: -137.286
flat angles C4'-P-C4' energy: -149.405
flat angles P-C4'-P energy: -100.540
tors. eta vs tors. theta energy: -190.692
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: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2000.867216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.867216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.867216 (E_RNA)
where:
Base-Base interactions energy: -1335.303
where: short stacking energy: -570.766
Base-Backbone interact. energy: -6.617
local terms energy: -658.947622
where:
bonds (distance) C4'-P energy: -115.611
bonds (distance) P-C4' energy: -123.191
flat angles C4'-P-C4' energy: -160.351
flat angles P-C4'-P energy: -83.675
tors. eta vs tors. theta energy: -176.119
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: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1700.585173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.585173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.585173 (E_RNA)
where:
Base-Base interactions energy: -1131.797
where: short stacking energy: -513.408
Base-Backbone interact. energy: -1.942
local terms energy: -566.846555
where:
bonds (distance) C4'-P energy: -110.164
bonds (distance) P-C4' energy: -125.743
flat angles C4'-P-C4' energy: -115.574
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -137.726
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: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1540.768073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.768073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.768073 (E_RNA)
where:
Base-Base interactions energy: -1005.111
where: short stacking energy: -423.612
Base-Backbone interact. energy: 0.395
local terms energy: -536.052174
where:
bonds (distance) C4'-P energy: -111.691
bonds (distance) P-C4' energy: -107.367
flat angles C4'-P-C4' energy: -136.600
flat angles P-C4'-P energy: -91.867
tors. eta vs tors. theta energy: -88.527
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: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1113.789212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.789212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.789212 (E_RNA)
where:
Base-Base interactions energy: -646.977
where: short stacking energy: -345.628
Base-Backbone interact. energy: 4.660
local terms energy: -471.471899
where:
bonds (distance) C4'-P energy: -118.071
bonds (distance) P-C4' energy: -107.064
flat angles C4'-P-C4' energy: -120.912
flat angles P-C4'-P energy: -63.122
tors. eta vs tors. theta energy: -62.303
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: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -715.066822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.066822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.066822 (E_RNA)
where:
Base-Base interactions energy: -328.612
where: short stacking energy: -199.019
Base-Backbone interact. energy: 4.555
local terms energy: -391.009966
where:
bonds (distance) C4'-P energy: -84.728
bonds (distance) P-C4' energy: -135.890
flat angles C4'-P-C4' energy: -103.367
flat angles P-C4'-P energy: -61.558
tors. eta vs tors. theta energy: -5.468
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: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2512.043752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.043752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.043752 (E_RNA)
where:
Base-Base interactions energy: -1727.295
where: short stacking energy: -742.266
Base-Backbone interact. energy: -2.154
local terms energy: -782.594912
where:
bonds (distance) C4'-P energy: -139.168
bonds (distance) P-C4' energy: -144.997
flat angles C4'-P-C4' energy: -169.065
flat angles P-C4'-P energy: -112.051
tors. eta vs tors. theta energy: -217.314
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: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2542.016776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.016776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.016776 (E_RNA)
where:
Base-Base interactions energy: -1780.179
where: short stacking energy: -740.168
Base-Backbone interact. energy: 4.336
local terms energy: -766.173929
where:
bonds (distance) C4'-P energy: -141.210
bonds (distance) P-C4' energy: -140.206
flat angles C4'-P-C4' energy: -163.659
flat angles P-C4'-P energy: -106.147
tors. eta vs tors. theta energy: -214.952
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: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2380.817697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.817697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.817697 (E_RNA)
where:
Base-Base interactions energy: -1652.371
where: short stacking energy: -719.597
Base-Backbone interact. energy: -2.110
local terms energy: -726.336650
where:
bonds (distance) C4'-P energy: -134.139
bonds (distance) P-C4' energy: -138.774
flat angles C4'-P-C4' energy: -160.364
flat angles P-C4'-P energy: -100.841
tors. eta vs tors. theta energy: -192.219
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: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2280.894551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.894551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.894551 (E_RNA)
where:
Base-Base interactions energy: -1586.117
where: short stacking energy: -649.797
Base-Backbone interact. energy: -2.480
local terms energy: -692.297005
where:
bonds (distance) C4'-P energy: -122.550
bonds (distance) P-C4' energy: -135.309
flat angles C4'-P-C4' energy: -156.635
flat angles P-C4'-P energy: -89.052
tors. eta vs tors. theta energy: -188.751
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: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2171.385401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.385401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.385401 (E_RNA)
where:
Base-Base interactions energy: -1469.640
where: short stacking energy: -641.031
Base-Backbone interact. energy: -1.714
local terms energy: -700.031751
where:
bonds (distance) C4'-P energy: -118.721
bonds (distance) P-C4' energy: -133.429
flat angles C4'-P-C4' energy: -155.095
flat angles P-C4'-P energy: -101.855
tors. eta vs tors. theta energy: -190.931
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: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2029.131000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.131000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.131000 (E_RNA)
where:
Base-Base interactions energy: -1358.528
where: short stacking energy: -613.426
Base-Backbone interact. energy: -2.307
local terms energy: -668.295912
where:
bonds (distance) C4'-P energy: -127.161
bonds (distance) P-C4' energy: -134.885
flat angles C4'-P-C4' energy: -151.022
flat angles P-C4'-P energy: -81.938
tors. eta vs tors. theta energy: -173.290
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: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1691.006252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.006252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.006252 (E_RNA)
where:
Base-Base interactions energy: -1099.578
where: short stacking energy: -486.420
Base-Backbone interact. energy: -4.425
local terms energy: -587.002950
where:
bonds (distance) C4'-P energy: -116.268
bonds (distance) P-C4' energy: -122.934
flat angles C4'-P-C4' energy: -135.543
flat angles P-C4'-P energy: -91.687
tors. eta vs tors. theta energy: -120.572
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: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1538.139634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.139634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.139634 (E_RNA)
where:
Base-Base interactions energy: -1038.966
where: short stacking energy: -438.221
Base-Backbone interact. energy: -0.142
local terms energy: -499.031546
where:
bonds (distance) C4'-P energy: -89.275
bonds (distance) P-C4' energy: -98.113
flat angles C4'-P-C4' energy: -150.243
flat angles P-C4'-P energy: -77.003
tors. eta vs tors. theta energy: -84.398
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: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1053.299832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.299832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.299832 (E_RNA)
where:
Base-Base interactions energy: -593.518
where: short stacking energy: -285.797
Base-Backbone interact. energy: -4.035
local terms energy: -455.746828
where:
bonds (distance) C4'-P energy: -104.914
bonds (distance) P-C4' energy: -121.853
flat angles C4'-P-C4' energy: -126.086
flat angles P-C4'-P energy: -71.253
tors. eta vs tors. theta energy: -31.641
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: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -727.573768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.573768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.573768 (E_RNA)
where:
Base-Base interactions energy: -339.024
where: short stacking energy: -208.454
Base-Backbone interact. energy: 5.461
local terms energy: -394.011195
where:
bonds (distance) C4'-P energy: -113.248
bonds (distance) P-C4' energy: -127.486
flat angles C4'-P-C4' energy: -100.573
flat angles P-C4'-P energy: -56.629
tors. eta vs tors. theta energy: 3.925
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: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2624.142813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.142813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.142813 (E_RNA)
where:
Base-Base interactions energy: -1826.617
where: short stacking energy: -768.307
Base-Backbone interact. energy: 0.505
local terms energy: -798.030991
where:
bonds (distance) C4'-P energy: -147.138
bonds (distance) P-C4' energy: -147.680
flat angles C4'-P-C4' energy: -165.917
flat angles P-C4'-P energy: -112.118
tors. eta vs tors. theta energy: -225.179
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: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2501.999673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.999673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.999673 (E_RNA)
where:
Base-Base interactions energy: -1702.403
where: short stacking energy: -728.441
Base-Backbone interact. energy: -0.958
local terms energy: -798.639259
where:
bonds (distance) C4'-P energy: -155.221
bonds (distance) P-C4' energy: -144.245
flat angles C4'-P-C4' energy: -168.660
flat angles P-C4'-P energy: -111.930
tors. eta vs tors. theta energy: -218.582
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: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2388.649718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.649718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.649718 (E_RNA)
where:
Base-Base interactions energy: -1643.719
where: short stacking energy: -725.066
Base-Backbone interact. energy: 0.512
local terms energy: -745.442319
where:
bonds (distance) C4'-P energy: -131.197
bonds (distance) P-C4' energy: -143.502
flat angles C4'-P-C4' energy: -159.133
flat angles P-C4'-P energy: -110.077
tors. eta vs tors. theta energy: -201.534
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: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2339.362922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.362922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.362922 (E_RNA)
where:
Base-Base interactions energy: -1593.826
where: short stacking energy: -677.159
Base-Backbone interact. energy: -3.128
local terms energy: -742.409075
where:
bonds (distance) C4'-P energy: -144.619
bonds (distance) P-C4' energy: -142.842
flat angles C4'-P-C4' energy: -152.387
flat angles P-C4'-P energy: -101.196
tors. eta vs tors. theta energy: -201.365
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: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2235.370430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.370430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.370430 (E_RNA)
where:
Base-Base interactions energy: -1539.874
where: short stacking energy: -664.559
Base-Backbone interact. energy: -1.415
local terms energy: -694.081817
where:
bonds (distance) C4'-P energy: -131.796
bonds (distance) P-C4' energy: -137.416
flat angles C4'-P-C4' energy: -142.169
flat angles P-C4'-P energy: -88.220
tors. eta vs tors. theta energy: -194.480
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: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2010.470500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.470500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.470500 (E_RNA)
where:
Base-Base interactions energy: -1354.375
where: short stacking energy: -590.601
Base-Backbone interact. energy: -3.069
local terms energy: -653.026772
where:
bonds (distance) C4'-P energy: -119.128
bonds (distance) P-C4' energy: -117.949
flat angles C4'-P-C4' energy: -146.447
flat angles P-C4'-P energy: -94.866
tors. eta vs tors. theta energy: -174.638
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: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1782.335140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.335140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.335140 (E_RNA)
where:
Base-Base interactions energy: -1159.441
where: short stacking energy: -518.697
Base-Backbone interact. energy: -3.006
local terms energy: -619.888180
where:
bonds (distance) C4'-P energy: -127.084
bonds (distance) P-C4' energy: -121.075
flat angles C4'-P-C4' energy: -141.595
flat angles P-C4'-P energy: -97.312
tors. eta vs tors. theta energy: -132.822
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: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1522.915888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.915888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.915888 (E_RNA)
where:
Base-Base interactions energy: -985.514
where: short stacking energy: -423.839
Base-Backbone interact. energy: 0.890
local terms energy: -538.291513
where:
bonds (distance) C4'-P energy: -104.145
bonds (distance) P-C4' energy: -128.034
flat angles C4'-P-C4' energy: -133.438
flat angles P-C4'-P energy: -88.988
tors. eta vs tors. theta energy: -83.686
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: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1118.411918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.411918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.411918 (E_RNA)
where:
Base-Base interactions energy: -704.799
where: short stacking energy: -348.699
Base-Backbone interact. energy: -2.633
local terms energy: -410.980295
where:
bonds (distance) C4'-P energy: -100.327
bonds (distance) P-C4' energy: -115.386
flat angles C4'-P-C4' energy: -108.186
flat angles P-C4'-P energy: -42.332
tors. eta vs tors. theta energy: -44.749
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: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -704.958573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.958573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.958573 (E_RNA)
where:
Base-Base interactions energy: -332.568
where: short stacking energy: -197.099
Base-Backbone interact. energy: -0.111
local terms energy: -372.279544
where:
bonds (distance) C4'-P energy: -120.578
bonds (distance) P-C4' energy: -114.119
flat angles C4'-P-C4' energy: -96.698
flat angles P-C4'-P energy: -56.504
tors. eta vs tors. theta energy: 15.619
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: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2597.507603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.507603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.507603 (E_RNA)
where:
Base-Base interactions energy: -1790.016
where: short stacking energy: -727.972
Base-Backbone interact. energy: -1.152
local terms energy: -806.339839
where:
bonds (distance) C4'-P energy: -157.035
bonds (distance) P-C4' energy: -140.589
flat angles C4'-P-C4' energy: -175.737
flat angles P-C4'-P energy: -118.054
tors. eta vs tors. theta energy: -214.925
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: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2472.000305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.000305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.000305 (E_RNA)
where:
Base-Base interactions energy: -1708.071
where: short stacking energy: -729.768
Base-Backbone interact. energy: -0.230
local terms energy: -763.699892
where:
bonds (distance) C4'-P energy: -129.635
bonds (distance) P-C4' energy: -145.103
flat angles C4'-P-C4' energy: -159.883
flat angles P-C4'-P energy: -109.766
tors. eta vs tors. theta energy: -219.313
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: 3, replica: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2417.541679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.541679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.541679 (E_RNA)
where:
Base-Base interactions energy: -1677.135
where: short stacking energy: -713.814
Base-Backbone interact. energy: -4.107
local terms energy: -736.299572
where:
bonds (distance) C4'-P energy: -120.135
bonds (distance) P-C4' energy: -152.539
flat angles C4'-P-C4' energy: -154.618
flat angles P-C4'-P energy: -110.172
tors. eta vs tors. theta energy: -198.836
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: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2319.898355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.898355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.898355 (E_RNA)
where:
Base-Base interactions energy: -1588.660
where: short stacking energy: -686.070
Base-Backbone interact. energy: -3.992
local terms energy: -727.246969
where:
bonds (distance) C4'-P energy: -131.382
bonds (distance) P-C4' energy: -154.713
flat angles C4'-P-C4' energy: -150.897
flat angles P-C4'-P energy: -93.807
tors. eta vs tors. theta energy: -196.448
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: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2203.245110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.245110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.245110 (E_RNA)
where:
Base-Base interactions energy: -1506.308
where: short stacking energy: -648.029
Base-Backbone interact. energy: -1.242
local terms energy: -695.695093
where:
bonds (distance) C4'-P energy: -127.349
bonds (distance) P-C4' energy: -140.047
flat angles C4'-P-C4' energy: -156.303
flat angles P-C4'-P energy: -94.723
tors. eta vs tors. theta energy: -177.273
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: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1981.974479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.974479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.974479 (E_RNA)
where:
Base-Base interactions energy: -1321.511
where: short stacking energy: -570.939
Base-Backbone interact. energy: 0.411
local terms energy: -660.874202
where:
bonds (distance) C4'-P energy: -137.503
bonds (distance) P-C4' energy: -133.496
flat angles C4'-P-C4' energy: -147.876
flat angles P-C4'-P energy: -89.563
tors. eta vs tors. theta energy: -152.436
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: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1709.491114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.491114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.491114 (E_RNA)
where:
Base-Base interactions energy: -1106.595
where: short stacking energy: -483.990
Base-Backbone interact. energy: 0.366
local terms energy: -603.261495
where:
bonds (distance) C4'-P energy: -117.507
bonds (distance) P-C4' energy: -136.164
flat angles C4'-P-C4' energy: -138.607
flat angles P-C4'-P energy: -76.621
tors. eta vs tors. theta energy: -134.362
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: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1407.824164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.824164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.824164 (E_RNA)
where:
Base-Base interactions energy: -886.416
where: short stacking energy: -426.217
Base-Backbone interact. energy: 1.458
local terms energy: -522.866747
where:
bonds (distance) C4'-P energy: -128.221
bonds (distance) P-C4' energy: -117.584
flat angles C4'-P-C4' energy: -113.475
flat angles P-C4'-P energy: -65.479
tors. eta vs tors. theta energy: -98.107
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: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1185.889705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.889705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.889705 (E_RNA)
where:
Base-Base interactions energy: -706.839
where: short stacking energy: -340.142
Base-Backbone interact. energy: 8.400
local terms energy: -487.450746
where:
bonds (distance) C4'-P energy: -111.014
bonds (distance) P-C4' energy: -133.578
flat angles C4'-P-C4' energy: -116.993
flat angles P-C4'-P energy: -56.791
tors. eta vs tors. theta energy: -69.074
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: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -702.626704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.626704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.626704 (E_RNA)
where:
Base-Base interactions energy: -342.174
where: short stacking energy: -201.892
Base-Backbone interact. energy: -3.449
local terms energy: -357.003840
where:
bonds (distance) C4'-P energy: -97.277
bonds (distance) P-C4' energy: -109.849
flat angles C4'-P-C4' energy: -102.940
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: 0.295
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: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2581.281883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.281883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.281883 (E_RNA)
where:
Base-Base interactions energy: -1810.032
where: short stacking energy: -740.881
Base-Backbone interact. energy: -4.240
local terms energy: -767.009827
where:
bonds (distance) C4'-P energy: -142.609
bonds (distance) P-C4' energy: -153.523
flat angles C4'-P-C4' energy: -164.003
flat angles P-C4'-P energy: -105.296
tors. eta vs tors. theta energy: -201.579
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: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2464.772062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.772062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.772062 (E_RNA)
where:
Base-Base interactions energy: -1738.945
where: short stacking energy: -735.050
Base-Backbone interact. energy: -2.594
local terms energy: -723.232849
where:
bonds (distance) C4'-P energy: -130.494
bonds (distance) P-C4' energy: -126.480
flat angles C4'-P-C4' energy: -163.479
flat angles P-C4'-P energy: -98.785
tors. eta vs tors. theta energy: -203.995
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: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2368.932532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.932532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.932532 (E_RNA)
where:
Base-Base interactions energy: -1629.743
where: short stacking energy: -687.507
Base-Backbone interact. energy: -2.065
local terms energy: -737.124512
where:
bonds (distance) C4'-P energy: -131.351
bonds (distance) P-C4' energy: -148.387
flat angles C4'-P-C4' energy: -161.795
flat angles P-C4'-P energy: -96.396
tors. eta vs tors. theta energy: -199.197
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: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2289.272589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.272589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.272589 (E_RNA)
where:
Base-Base interactions energy: -1566.003
where: short stacking energy: -690.854
Base-Backbone interact. energy: -2.106
local terms energy: -721.163995
where:
bonds (distance) C4'-P energy: -135.060
bonds (distance) P-C4' energy: -142.281
flat angles C4'-P-C4' energy: -136.341
flat angles P-C4'-P energy: -108.503
tors. eta vs tors. theta energy: -198.978
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: 228
Temperature: 1.100000
Total energy: -2193.509874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.509874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.509874 (E_RNA)
where:
Base-Base interactions energy: -1513.273
where: short stacking energy: -625.502
Base-Backbone interact. energy: -3.250
local terms energy: -676.987191
where:
bonds (distance) C4'-P energy: -132.427
bonds (distance) P-C4' energy: -127.926
flat angles C4'-P-C4' energy: -140.853
flat angles P-C4'-P energy: -89.891
tors. eta vs tors. theta energy: -185.890
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: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2040.455137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.455137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.455137 (E_RNA)
where:
Base-Base interactions energy: -1386.284
where: short stacking energy: -623.497
Base-Backbone interact. energy: -0.039
local terms energy: -654.132093
where:
bonds (distance) C4'-P energy: -134.745
bonds (distance) P-C4' energy: -105.225
flat angles C4'-P-C4' energy: -132.826
flat angles P-C4'-P energy: -90.352
tors. eta vs tors. theta energy: -190.984
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: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1690.357158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.357158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.357158 (E_RNA)
where:
Base-Base interactions energy: -1118.287
where: short stacking energy: -510.622
Base-Backbone interact. energy: 0.902
local terms energy: -572.972356
where:
bonds (distance) C4'-P energy: -92.532
bonds (distance) P-C4' energy: -118.052
flat angles C4'-P-C4' energy: -128.995
flat angles P-C4'-P energy: -87.331
tors. eta vs tors. theta energy: -146.062
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: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1391.673867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.673867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.673867 (E_RNA)
where:
Base-Base interactions energy: -903.159
where: short stacking energy: -429.497
Base-Backbone interact. energy: 2.532
local terms energy: -491.046390
where:
bonds (distance) C4'-P energy: -115.025
bonds (distance) P-C4' energy: -114.361
flat angles C4'-P-C4' energy: -114.626
flat angles P-C4'-P energy: -74.184
tors. eta vs tors. theta energy: -72.850
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: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1261.367361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.367361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.367361 (E_RNA)
where:
Base-Base interactions energy: -796.625
where: short stacking energy: -392.420
Base-Backbone interact. energy: 7.232
local terms energy: -471.975061
where:
bonds (distance) C4'-P energy: -106.738
bonds (distance) P-C4' energy: -117.130
flat angles C4'-P-C4' energy: -105.542
flat angles P-C4'-P energy: -69.383
tors. eta vs tors. theta energy: -73.183
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: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -742.807162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.807162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.807162 (E_RNA)
where:
Base-Base interactions energy: -362.283
where: short stacking energy: -241.503
Base-Backbone interact. energy: -3.074
local terms energy: -377.450422
where:
bonds (distance) C4'-P energy: -114.836
bonds (distance) P-C4' energy: -111.317
flat angles C4'-P-C4' energy: -103.480
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: 3.053
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: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2608.556603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.556603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.556603 (E_RNA)
where:
Base-Base interactions energy: -1846.521
where: short stacking energy: -756.185
Base-Backbone interact. energy: -1.072
local terms energy: -760.963401
where:
bonds (distance) C4'-P energy: -132.794
bonds (distance) P-C4' energy: -151.729
flat angles C4'-P-C4' energy: -164.141
flat angles P-C4'-P energy: -103.887
tors. eta vs tors. theta energy: -208.412
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: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2475.675270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.675270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.675270 (E_RNA)
where:
Base-Base interactions energy: -1665.082
where: short stacking energy: -719.690
Base-Backbone interact. energy: -2.414
local terms energy: -808.179727
where:
bonds (distance) C4'-P energy: -146.927
bonds (distance) P-C4' energy: -157.168
flat angles C4'-P-C4' energy: -173.559
flat angles P-C4'-P energy: -122.948
tors. eta vs tors. theta energy: -207.579
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: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2430.425493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.425493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.425493 (E_RNA)
where:
Base-Base interactions energy: -1687.052
where: short stacking energy: -728.040
Base-Backbone interact. energy: -4.187
local terms energy: -739.186256
where:
bonds (distance) C4'-P energy: -136.382
bonds (distance) P-C4' energy: -133.470
flat angles C4'-P-C4' energy: -154.741
flat angles P-C4'-P energy: -105.490
tors. eta vs tors. theta energy: -209.103
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: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2316.944161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.944161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.944161 (E_RNA)
where:
Base-Base interactions energy: -1583.135
where: short stacking energy: -696.431
Base-Backbone interact. energy: -2.228
local terms energy: -731.580679
where:
bonds (distance) C4'-P energy: -141.839
bonds (distance) P-C4' energy: -130.348
flat angles C4'-P-C4' energy: -160.240
flat angles P-C4'-P energy: -97.814
tors. eta vs tors. theta energy: -201.339
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: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2138.472267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.472267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.472267 (E_RNA)
where:
Base-Base interactions energy: -1482.581
where: short stacking energy: -620.397
Base-Backbone interact. energy: -2.301
local terms energy: -653.590214
where:
bonds (distance) C4'-P energy: -122.855
bonds (distance) P-C4' energy: -128.812
flat angles C4'-P-C4' energy: -147.164
flat angles P-C4'-P energy: -87.905
tors. eta vs tors. theta energy: -166.854
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: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2084.771800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.771800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.771800 (E_RNA)
where:
Base-Base interactions energy: -1429.147
where: short stacking energy: -623.907
Base-Backbone interact. energy: -3.997
local terms energy: -651.628004
where:
bonds (distance) C4'-P energy: -119.516
bonds (distance) P-C4' energy: -109.615
flat angles C4'-P-C4' energy: -150.549
flat angles P-C4'-P energy: -93.761
tors. eta vs tors. theta energy: -178.187
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: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1696.483100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.483100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.483100 (E_RNA)
where:
Base-Base interactions energy: -1101.179
where: short stacking energy: -515.174
Base-Backbone interact. energy: -1.094
local terms energy: -594.210525
where:
bonds (distance) C4'-P energy: -120.373
bonds (distance) P-C4' energy: -133.928
flat angles C4'-P-C4' energy: -131.644
flat angles P-C4'-P energy: -73.546
tors. eta vs tors. theta energy: -134.719
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: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1480.377442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.377442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.377442 (E_RNA)
where:
Base-Base interactions energy: -915.706
where: short stacking energy: -434.686
Base-Backbone interact. energy: 4.039
local terms energy: -568.710674
where:
bonds (distance) C4'-P energy: -116.099
bonds (distance) P-C4' energy: -120.322
flat angles C4'-P-C4' energy: -138.967
flat angles P-C4'-P energy: -91.872
tors. eta vs tors. theta energy: -101.450
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: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1178.872575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.872575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.872575 (E_RNA)
where:
Base-Base interactions energy: -708.078
where: short stacking energy: -347.633
Base-Backbone interact. energy: 9.979
local terms energy: -480.773418
where:
bonds (distance) C4'-P energy: -115.665
bonds (distance) P-C4' energy: -111.378
flat angles C4'-P-C4' energy: -121.707
flat angles P-C4'-P energy: -83.530
tors. eta vs tors. theta energy: -48.494
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: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -761.968578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.968578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.968578 (E_RNA)
where:
Base-Base interactions energy: -380.207
where: short stacking energy: -205.556
Base-Backbone interact. energy: -1.614
local terms energy: -380.147813
where:
bonds (distance) C4'-P energy: -104.200
bonds (distance) P-C4' energy: -107.205
flat angles C4'-P-C4' energy: -106.658
flat angles P-C4'-P energy: -70.380
tors. eta vs tors. theta energy: 8.297
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: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2544.081492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.081492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.081492 (E_RNA)
where:
Base-Base interactions energy: -1750.661
where: short stacking energy: -771.107
Base-Backbone interact. energy: -3.303
local terms energy: -790.117499
where:
bonds (distance) C4'-P energy: -143.957
bonds (distance) P-C4' energy: -145.396
flat angles C4'-P-C4' energy: -165.530
flat angles P-C4'-P energy: -108.200
tors. eta vs tors. theta energy: -227.034
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: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2550.276325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.276325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.276325 (E_RNA)
where:
Base-Base interactions energy: -1780.399
where: short stacking energy: -720.206
Base-Backbone interact. energy: -5.268
local terms energy: -764.609572
where:
bonds (distance) C4'-P energy: -152.503
bonds (distance) P-C4' energy: -142.918
flat angles C4'-P-C4' energy: -158.802
flat angles P-C4'-P energy: -101.650
tors. eta vs tors. theta energy: -208.737
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: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2396.302322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.302322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.302322 (E_RNA)
where:
Base-Base interactions energy: -1658.025
where: short stacking energy: -689.470
Base-Backbone interact. energy: -3.075
local terms energy: -735.202813
where:
bonds (distance) C4'-P energy: -138.028
bonds (distance) P-C4' energy: -133.388
flat angles C4'-P-C4' energy: -159.302
flat angles P-C4'-P energy: -100.005
tors. eta vs tors. theta energy: -204.479
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: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2280.284061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.284061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.284061 (E_RNA)
where:
Base-Base interactions energy: -1565.445
where: short stacking energy: -701.427
Base-Backbone interact. energy: -3.881
local terms energy: -710.957657
where:
bonds (distance) C4'-P energy: -132.774
bonds (distance) P-C4' energy: -139.978
flat angles C4'-P-C4' energy: -147.026
flat angles P-C4'-P energy: -90.367
tors. eta vs tors. theta energy: -200.813
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: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2155.981553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.981553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.981553 (E_RNA)
where:
Base-Base interactions energy: -1461.839
where: short stacking energy: -631.838
Base-Backbone interact. energy: -1.697
local terms energy: -692.445808
where:
bonds (distance) C4'-P energy: -118.175
bonds (distance) P-C4' energy: -130.937
flat angles C4'-P-C4' energy: -152.914
flat angles P-C4'-P energy: -103.786
tors. eta vs tors. theta energy: -186.635
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: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2114.407695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.407695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.407695 (E_RNA)
where:
Base-Base interactions energy: -1474.676
where: short stacking energy: -625.325
Base-Backbone interact. energy: -1.761
local terms energy: -637.971134
where:
bonds (distance) C4'-P energy: -114.987
bonds (distance) P-C4' energy: -112.320
flat angles C4'-P-C4' energy: -150.255
flat angles P-C4'-P energy: -79.773
tors. eta vs tors. theta energy: -180.635
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: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1656.646094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.646094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.646094 (E_RNA)
where:
Base-Base interactions energy: -1076.744
where: short stacking energy: -482.284
Base-Backbone interact. energy: 0.204
local terms energy: -580.105911
where:
bonds (distance) C4'-P energy: -122.042
bonds (distance) P-C4' energy: -118.402
flat angles C4'-P-C4' energy: -139.539
flat angles P-C4'-P energy: -93.889
tors. eta vs tors. theta energy: -106.234
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: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1461.273483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.273483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.273483 (E_RNA)
where:
Base-Base interactions energy: -915.527
where: short stacking energy: -397.496
Base-Backbone interact. energy: -2.975
local terms energy: -542.771857
where:
bonds (distance) C4'-P energy: -125.401
bonds (distance) P-C4' energy: -135.971
flat angles C4'-P-C4' energy: -133.461
flat angles P-C4'-P energy: -69.875
tors. eta vs tors. theta energy: -78.064
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: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1210.465329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.465329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.465329 (E_RNA)
where:
Base-Base interactions energy: -730.558
where: short stacking energy: -353.889
Base-Backbone interact. energy: 3.843
local terms energy: -483.749593
where:
bonds (distance) C4'-P energy: -127.800
bonds (distance) P-C4' energy: -140.198
flat angles C4'-P-C4' energy: -105.780
flat angles P-C4'-P energy: -48.038
tors. eta vs tors. theta energy: -61.934
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: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -792.336672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.336672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.336672 (E_RNA)
where:
Base-Base interactions energy: -393.480
where: short stacking energy: -209.912
Base-Backbone interact. energy: 2.722
local terms energy: -401.579354
where:
bonds (distance) C4'-P energy: -135.446
bonds (distance) P-C4' energy: -108.339
flat angles C4'-P-C4' energy: -93.900
flat angles P-C4'-P energy: -72.179
tors. eta vs tors. theta energy: 8.285
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: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2545.572851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.572851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.572851 (E_RNA)
where:
Base-Base interactions energy: -1746.940
where: short stacking energy: -780.375
Base-Backbone interact. energy: -5.886
local terms energy: -792.746908
where:
bonds (distance) C4'-P energy: -146.053
bonds (distance) P-C4' energy: -141.431
flat angles C4'-P-C4' energy: -170.266
flat angles P-C4'-P energy: -107.140
tors. eta vs tors. theta energy: -227.856
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: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2521.560449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.560449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.560449 (E_RNA)
where:
Base-Base interactions energy: -1761.477
where: short stacking energy: -718.942
Base-Backbone interact. energy: -1.698
local terms energy: -758.385518
where:
bonds (distance) C4'-P energy: -137.553
bonds (distance) P-C4' energy: -139.309
flat angles C4'-P-C4' energy: -163.880
flat angles P-C4'-P energy: -107.342
tors. eta vs tors. theta energy: -210.302
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: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2369.038800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.038800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.038800 (E_RNA)
where:
Base-Base interactions energy: -1649.803
where: short stacking energy: -677.579
Base-Backbone interact. energy: -0.787
local terms energy: -718.449328
where:
bonds (distance) C4'-P energy: -138.496
bonds (distance) P-C4' energy: -129.689
flat angles C4'-P-C4' energy: -150.664
flat angles P-C4'-P energy: -115.230
tors. eta vs tors. theta energy: -184.371
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: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2290.691551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.691551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.691551 (E_RNA)
where:
Base-Base interactions energy: -1565.465
where: short stacking energy: -700.479
Base-Backbone interact. energy: -5.267
local terms energy: -719.959392
where:
bonds (distance) C4'-P energy: -138.804
bonds (distance) P-C4' energy: -131.570
flat angles C4'-P-C4' energy: -157.737
flat angles P-C4'-P energy: -92.422
tors. eta vs tors. theta energy: -199.426
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: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2107.579569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.579569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.579569 (E_RNA)
where:
Base-Base interactions energy: -1400.432
where: short stacking energy: -603.831
Base-Backbone interact. energy: -3.574
local terms energy: -703.573972
where:
bonds (distance) C4'-P energy: -135.805
bonds (distance) P-C4' energy: -124.383
flat angles C4'-P-C4' energy: -159.418
flat angles P-C4'-P energy: -101.604
tors. eta vs tors. theta energy: -182.364
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: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2139.550256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.550256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.550256 (E_RNA)
where:
Base-Base interactions energy: -1471.151
where: short stacking energy: -619.999
Base-Backbone interact. energy: 7.071
local terms energy: -675.469940
where:
bonds (distance) C4'-P energy: -118.712
bonds (distance) P-C4' energy: -127.274
flat angles C4'-P-C4' energy: -147.887
flat angles P-C4'-P energy: -109.165
tors. eta vs tors. theta energy: -172.431
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: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1623.470685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.470685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.470685 (E_RNA)
where:
Base-Base interactions energy: -1047.957
where: short stacking energy: -446.663
Base-Backbone interact. energy: -2.844
local terms energy: -572.669451
where:
bonds (distance) C4'-P energy: -118.311
bonds (distance) P-C4' energy: -135.429
flat angles C4'-P-C4' energy: -125.871
flat angles P-C4'-P energy: -94.396
tors. eta vs tors. theta energy: -98.663
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: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1514.149471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.149471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.149471 (E_RNA)
where:
Base-Base interactions energy: -966.974
where: short stacking energy: -427.611
Base-Backbone interact. energy: -0.211
local terms energy: -546.964030
where:
bonds (distance) C4'-P energy: -129.026
bonds (distance) P-C4' energy: -134.047
flat angles C4'-P-C4' energy: -119.192
flat angles P-C4'-P energy: -68.218
tors. eta vs tors. theta energy: -96.482
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: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1212.867466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.867466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.867466 (E_RNA)
where:
Base-Base interactions energy: -705.061
where: short stacking energy: -364.791
Base-Backbone interact. energy: 1.975
local terms energy: -509.781130
where:
bonds (distance) C4'-P energy: -127.125
bonds (distance) P-C4' energy: -134.569
flat angles C4'-P-C4' energy: -119.868
flat angles P-C4'-P energy: -81.662
tors. eta vs tors. theta energy: -46.558
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: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -723.315279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.315279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.315279 (E_RNA)
where:
Base-Base interactions energy: -322.442
where: short stacking energy: -199.935
Base-Backbone interact. energy: 2.005
local terms energy: -402.878704
where:
bonds (distance) C4'-P energy: -115.891
bonds (distance) P-C4' energy: -138.729
flat angles C4'-P-C4' energy: -112.787
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: 4.338
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: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2596.124566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.124566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.124566 (E_RNA)
where:
Base-Base interactions energy: -1799.492
where: short stacking energy: -751.974
Base-Backbone interact. energy: -5.561
local terms energy: -791.071875
where:
bonds (distance) C4'-P energy: -162.713
bonds (distance) P-C4' energy: -143.496
flat angles C4'-P-C4' energy: -159.370
flat angles P-C4'-P energy: -110.589
tors. eta vs tors. theta energy: -214.903
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: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2514.850966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.850966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.850966 (E_RNA)
where:
Base-Base interactions energy: -1714.071
where: short stacking energy: -733.312
Base-Backbone interact. energy: -5.853
local terms energy: -794.926656
where:
bonds (distance) C4'-P energy: -134.447
bonds (distance) P-C4' energy: -149.959
flat angles C4'-P-C4' energy: -164.866
flat angles P-C4'-P energy: -124.606
tors. eta vs tors. theta energy: -221.049
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: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2402.837047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.837047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.837047 (E_RNA)
where:
Base-Base interactions energy: -1646.366
where: short stacking energy: -712.000
Base-Backbone interact. energy: 1.020
local terms energy: -757.490898
where:
bonds (distance) C4'-P energy: -136.800
bonds (distance) P-C4' energy: -139.067
flat angles C4'-P-C4' energy: -162.697
flat angles P-C4'-P energy: -107.464
tors. eta vs tors. theta energy: -211.464
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: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2272.204544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.204544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.204544 (E_RNA)
where:
Base-Base interactions energy: -1552.956
where: short stacking energy: -684.491
Base-Backbone interact. energy: -1.877
local terms energy: -717.370959
where:
bonds (distance) C4'-P energy: -150.490
bonds (distance) P-C4' energy: -133.766
flat angles C4'-P-C4' energy: -154.681
flat angles P-C4'-P energy: -83.680
tors. eta vs tors. theta energy: -194.753
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: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2217.555311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.555311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.555311 (E_RNA)
where:
Base-Base interactions energy: -1534.578
where: short stacking energy: -636.998
Base-Backbone interact. energy: -2.800
local terms energy: -680.177014
where:
bonds (distance) C4'-P energy: -134.962
bonds (distance) P-C4' energy: -123.166
flat angles C4'-P-C4' energy: -149.528
flat angles P-C4'-P energy: -89.504
tors. eta vs tors. theta energy: -183.017
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: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2011.227575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.227575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.227575 (E_RNA)
where:
Base-Base interactions energy: -1364.426
where: short stacking energy: -621.071
Base-Backbone interact. energy: -1.380
local terms energy: -645.422250
where:
bonds (distance) C4'-P energy: -118.079
bonds (distance) P-C4' energy: -132.989
flat angles C4'-P-C4' energy: -134.088
flat angles P-C4'-P energy: -83.152
tors. eta vs tors. theta energy: -177.114
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: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1703.695878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.695878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.695878 (E_RNA)
where:
Base-Base interactions energy: -1129.954
where: short stacking energy: -508.145
Base-Backbone interact. energy: 2.814
local terms energy: -576.555836
where:
bonds (distance) C4'-P energy: -118.744
bonds (distance) P-C4' energy: -133.408
flat angles C4'-P-C4' energy: -143.028
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: -121.167
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: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1531.067475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.067475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.067475 (E_RNA)
where:
Base-Base interactions energy: -995.619
where: short stacking energy: -456.637
Base-Backbone interact. energy: 2.012
local terms energy: -537.461267
where:
bonds (distance) C4'-P energy: -108.405
bonds (distance) P-C4' energy: -108.312
flat angles C4'-P-C4' energy: -126.151
flat angles P-C4'-P energy: -84.507
tors. eta vs tors. theta energy: -110.086
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: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1115.938056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.938056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.938056 (E_RNA)
where:
Base-Base interactions energy: -634.898
where: short stacking energy: -283.434
Base-Backbone interact. energy: -1.215
local terms energy: -479.825068
where:
bonds (distance) C4'-P energy: -119.547
bonds (distance) P-C4' energy: -126.702
flat angles C4'-P-C4' energy: -121.944
flat angles P-C4'-P energy: -71.701
tors. eta vs tors. theta energy: -39.931
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: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -697.902973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.902973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.902973 (E_RNA)
where:
Base-Base interactions energy: -313.789
where: short stacking energy: -186.896
Base-Backbone interact. energy: 2.265
local terms energy: -386.378877
where:
bonds (distance) C4'-P energy: -118.218
bonds (distance) P-C4' energy: -125.828
flat angles C4'-P-C4' energy: -81.517
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: 6.047
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: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2595.360284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.360284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.360284 (E_RNA)
where:
Base-Base interactions energy: -1822.869
where: short stacking energy: -752.881
Base-Backbone interact. energy: -3.760
local terms energy: -768.731397
where:
bonds (distance) C4'-P energy: -135.120
bonds (distance) P-C4' energy: -128.940
flat angles C4'-P-C4' energy: -171.993
flat angles P-C4'-P energy: -108.939
tors. eta vs tors. theta energy: -223.740
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: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2439.554330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.554330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.554330 (E_RNA)
where:
Base-Base interactions energy: -1659.209
where: short stacking energy: -719.573
Base-Backbone interact. energy: -1.985
local terms energy: -778.359597
where:
bonds (distance) C4'-P energy: -146.014
bonds (distance) P-C4' energy: -153.780
flat angles C4'-P-C4' energy: -169.000
flat angles P-C4'-P energy: -98.289
tors. eta vs tors. theta energy: -211.278
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: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2388.853431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.853431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.853431 (E_RNA)
where:
Base-Base interactions energy: -1627.651
where: short stacking energy: -728.045
Base-Backbone interact. energy: -3.320
local terms energy: -757.882912
where:
bonds (distance) C4'-P energy: -129.230
bonds (distance) P-C4' energy: -147.017
flat angles C4'-P-C4' energy: -153.531
flat angles P-C4'-P energy: -112.644
tors. eta vs tors. theta energy: -215.460
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: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2305.975017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.975017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.975017 (E_RNA)
where:
Base-Base interactions energy: -1552.786
where: short stacking energy: -691.728
Base-Backbone interact. energy: -3.773
local terms energy: -749.415838
where:
bonds (distance) C4'-P energy: -135.729
bonds (distance) P-C4' energy: -139.369
flat angles C4'-P-C4' energy: -163.618
flat angles P-C4'-P energy: -108.909
tors. eta vs tors. theta energy: -201.792
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: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2241.522754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.522754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.522754 (E_RNA)
where:
Base-Base interactions energy: -1573.787
where: short stacking energy: -688.658
Base-Backbone interact. energy: 4.344
local terms energy: -672.079970
where:
bonds (distance) C4'-P energy: -110.974
bonds (distance) P-C4' energy: -118.098
flat angles C4'-P-C4' energy: -157.527
flat angles P-C4'-P energy: -92.795
tors. eta vs tors. theta energy: -192.686
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: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2013.904259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.904259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.904259 (E_RNA)
where:
Base-Base interactions energy: -1352.239
where: short stacking energy: -586.010
Base-Backbone interact. energy: -2.553
local terms energy: -659.111470
where:
bonds (distance) C4'-P energy: -135.945
bonds (distance) P-C4' energy: -120.156
flat angles C4'-P-C4' energy: -135.534
flat angles P-C4'-P energy: -101.569
tors. eta vs tors. theta energy: -165.907
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: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1783.522807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.522807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.522807 (E_RNA)
where:
Base-Base interactions energy: -1199.322
where: short stacking energy: -556.084
Base-Backbone interact. energy: 0.319
local terms energy: -584.520253
where:
bonds (distance) C4'-P energy: -126.853
bonds (distance) P-C4' energy: -115.425
flat angles C4'-P-C4' energy: -133.930
flat angles P-C4'-P energy: -73.495
tors. eta vs tors. theta energy: -134.817
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: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1502.132514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.132514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.132514 (E_RNA)
where:
Base-Base interactions energy: -977.634
where: short stacking energy: -471.316
Base-Backbone interact. energy: -0.508
local terms energy: -523.990210
where:
bonds (distance) C4'-P energy: -112.140
bonds (distance) P-C4' energy: -117.036
flat angles C4'-P-C4' energy: -128.303
flat angles P-C4'-P energy: -82.795
tors. eta vs tors. theta energy: -83.717
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: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1164.460747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.460747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.460747 (E_RNA)
where:
Base-Base interactions energy: -707.762
where: short stacking energy: -334.668
Base-Backbone interact. energy: -1.961
local terms energy: -454.737963
where:
bonds (distance) C4'-P energy: -112.758
bonds (distance) P-C4' energy: -118.947
flat angles C4'-P-C4' energy: -105.058
flat angles P-C4'-P energy: -89.066
tors. eta vs tors. theta energy: -28.910
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: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -747.949314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.949314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.949314 (E_RNA)
where:
Base-Base interactions energy: -361.612
where: short stacking energy: -233.458
Base-Backbone interact. energy: -0.026
local terms energy: -386.311029
where:
bonds (distance) C4'-P energy: -121.602
bonds (distance) P-C4' energy: -121.159
flat angles C4'-P-C4' energy: -84.154
flat angles P-C4'-P energy: -53.952
tors. eta vs tors. theta energy: -5.444
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: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2583.233094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.233094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.233094 (E_RNA)
where:
Base-Base interactions energy: -1812.499
where: short stacking energy: -753.487
Base-Backbone interact. energy: -2.490
local terms energy: -768.244207
where:
bonds (distance) C4'-P energy: -129.506
bonds (distance) P-C4' energy: -155.614
flat angles C4'-P-C4' energy: -165.816
flat angles P-C4'-P energy: -101.984
tors. eta vs tors. theta energy: -215.324
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: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2450.394765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.394765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.394765 (E_RNA)
where:
Base-Base interactions energy: -1724.532
where: short stacking energy: -720.750
Base-Backbone interact. energy: -0.734
local terms energy: -725.128340
where:
bonds (distance) C4'-P energy: -134.308
bonds (distance) P-C4' energy: -145.105
flat angles C4'-P-C4' energy: -149.283
flat angles P-C4'-P energy: -98.383
tors. eta vs tors. theta energy: -198.049
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: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2373.550405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.550405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.550405 (E_RNA)
where:
Base-Base interactions energy: -1645.611
where: short stacking energy: -689.731
Base-Backbone interact. energy: -3.471
local terms energy: -724.467699
where:
bonds (distance) C4'-P energy: -146.117
bonds (distance) P-C4' energy: -130.070
flat angles C4'-P-C4' energy: -156.185
flat angles P-C4'-P energy: -99.521
tors. eta vs tors. theta energy: -192.574
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: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2289.116784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.116784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.116784 (E_RNA)
where:
Base-Base interactions energy: -1568.746
where: short stacking energy: -701.360
Base-Backbone interact. energy: 0.888
local terms energy: -721.258986
where:
bonds (distance) C4'-P energy: -131.309
bonds (distance) P-C4' energy: -118.490
flat angles C4'-P-C4' energy: -159.974
flat angles P-C4'-P energy: -107.947
tors. eta vs tors. theta energy: -203.539
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: 234
Temperature: 1.100000
Total energy: -2192.423186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.423186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.423186 (E_RNA)
where:
Base-Base interactions energy: -1494.417
where: short stacking energy: -643.923
Base-Backbone interact. energy: -0.507
local terms energy: -697.499827
where:
bonds (distance) C4'-P energy: -136.633
bonds (distance) P-C4' energy: -132.928
flat angles C4'-P-C4' energy: -143.134
flat angles P-C4'-P energy: -96.764
tors. eta vs tors. theta energy: -188.040
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: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2015.695029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.695029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.695029 (E_RNA)
where:
Base-Base interactions energy: -1349.690
where: short stacking energy: -572.797
Base-Backbone interact. energy: 1.538
local terms energy: -667.542833
where:
bonds (distance) C4'-P energy: -130.461
bonds (distance) P-C4' energy: -137.454
flat angles C4'-P-C4' energy: -131.250
flat angles P-C4'-P energy: -106.521
tors. eta vs tors. theta energy: -161.856
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: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1734.137632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.137632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.137632 (E_RNA)
where:
Base-Base interactions energy: -1145.117
where: short stacking energy: -497.305
Base-Backbone interact. energy: -2.973
local terms energy: -586.047405
where:
bonds (distance) C4'-P energy: -111.216
bonds (distance) P-C4' energy: -128.527
flat angles C4'-P-C4' energy: -135.568
flat angles P-C4'-P energy: -89.496
tors. eta vs tors. theta energy: -121.240
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: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1574.451194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.451194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.451194 (E_RNA)
where:
Base-Base interactions energy: -1039.159
where: short stacking energy: -473.691
Base-Backbone interact. energy: -0.387
local terms energy: -534.904538
where:
bonds (distance) C4'-P energy: -108.463
bonds (distance) P-C4' energy: -129.252
flat angles C4'-P-C4' energy: -127.114
flat angles P-C4'-P energy: -68.620
tors. eta vs tors. theta energy: -101.455
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: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1163.174420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.174420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.174420 (E_RNA)
where:
Base-Base interactions energy: -666.759
where: short stacking energy: -293.506
Base-Backbone interact. energy: 0.840
local terms energy: -497.255060
where:
bonds (distance) C4'-P energy: -136.329
bonds (distance) P-C4' energy: -135.733
flat angles C4'-P-C4' energy: -106.702
flat angles P-C4'-P energy: -76.166
tors. eta vs tors. theta energy: -42.325
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: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -747.972514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.972514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.972514 (E_RNA)
where:
Base-Base interactions energy: -361.816
where: short stacking energy: -221.128
Base-Backbone interact. energy: 4.564
local terms energy: -390.720877
where:
bonds (distance) C4'-P energy: -100.481
bonds (distance) P-C4' energy: -126.239
flat angles C4'-P-C4' energy: -86.770
flat angles P-C4'-P energy: -71.410
tors. eta vs tors. theta energy: -5.820
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: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2561.627261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.627261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.627261 (E_RNA)
where:
Base-Base interactions energy: -1759.072
where: short stacking energy: -745.474
Base-Backbone interact. energy: -5.545
local terms energy: -797.010193
where:
bonds (distance) C4'-P energy: -141.069
bonds (distance) P-C4' energy: -156.838
flat angles C4'-P-C4' energy: -167.592
flat angles P-C4'-P energy: -112.438
tors. eta vs tors. theta energy: -219.074
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: 235
Temperature: 0.950000
Total energy: -2484.104603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.104603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.104603 (E_RNA)
where:
Base-Base interactions energy: -1761.842
where: short stacking energy: -757.622
Base-Backbone interact. energy: -1.120
local terms energy: -721.143075
where:
bonds (distance) C4'-P energy: -136.097
bonds (distance) P-C4' energy: -130.805
flat angles C4'-P-C4' energy: -146.194
flat angles P-C4'-P energy: -102.058
tors. eta vs tors. theta energy: -205.988
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: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2369.676042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.676042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.676042 (E_RNA)
where:
Base-Base interactions energy: -1620.685
where: short stacking energy: -702.043
Base-Backbone interact. energy: 1.427
local terms energy: -750.417442
where:
bonds (distance) C4'-P energy: -145.538
bonds (distance) P-C4' energy: -144.688
flat angles C4'-P-C4' energy: -163.868
flat angles P-C4'-P energy: -95.363
tors. eta vs tors. theta energy: -200.961
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: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2295.329417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.329417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.329417 (E_RNA)
where:
Base-Base interactions energy: -1577.523
where: short stacking energy: -707.645
Base-Backbone interact. energy: 2.411
local terms energy: -720.217176
where:
bonds (distance) C4'-P energy: -131.460
bonds (distance) P-C4' energy: -120.414
flat angles C4'-P-C4' energy: -159.151
flat angles P-C4'-P energy: -106.535
tors. eta vs tors. theta energy: -202.658
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: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2212.759098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.759098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.759098 (E_RNA)
where:
Base-Base interactions energy: -1548.947
where: short stacking energy: -679.307
Base-Backbone interact. energy: -1.431
local terms energy: -662.380851
where:
bonds (distance) C4'-P energy: -100.696
bonds (distance) P-C4' energy: -122.567
flat angles C4'-P-C4' energy: -153.349
flat angles P-C4'-P energy: -94.381
tors. eta vs tors. theta energy: -191.387
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: 235
Temperature: 1.150000
Total energy: -2023.824835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.824835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.824835 (E_RNA)
where:
Base-Base interactions energy: -1360.334
where: short stacking energy: -566.831
Base-Backbone interact. energy: -1.908
local terms energy: -661.583564
where:
bonds (distance) C4'-P energy: -110.699
bonds (distance) P-C4' energy: -146.895
flat angles C4'-P-C4' energy: -156.454
flat angles P-C4'-P energy: -100.285
tors. eta vs tors. theta energy: -147.251
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: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1811.413256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.413256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.413256 (E_RNA)
where:
Base-Base interactions energy: -1256.971
where: short stacking energy: -545.170
Base-Backbone interact. energy: 2.033
local terms energy: -556.475047
where:
bonds (distance) C4'-P energy: -98.861
bonds (distance) P-C4' energy: -115.790
flat angles C4'-P-C4' energy: -120.431
flat angles P-C4'-P energy: -89.432
tors. eta vs tors. theta energy: -131.961
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: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1536.239414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.239414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.239414 (E_RNA)
where:
Base-Base interactions energy: -1021.486
where: short stacking energy: -460.520
Base-Backbone interact. energy: 0.511
local terms energy: -515.264997
where:
bonds (distance) C4'-P energy: -117.399
bonds (distance) P-C4' energy: -116.820
flat angles C4'-P-C4' energy: -113.083
flat angles P-C4'-P energy: -68.420
tors. eta vs tors. theta energy: -99.543
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: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1153.848247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.848247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.848247 (E_RNA)
where:
Base-Base interactions energy: -679.473
where: short stacking energy: -341.623
Base-Backbone interact. energy: -2.413
local terms energy: -471.962369
where:
bonds (distance) C4'-P energy: -97.875
bonds (distance) P-C4' energy: -138.899
flat angles C4'-P-C4' energy: -112.996
flat angles P-C4'-P energy: -65.241
tors. eta vs tors. theta energy: -56.951
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: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -713.660578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.660578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.660578 (E_RNA)
where:
Base-Base interactions energy: -323.499
where: short stacking energy: -204.930
Base-Backbone interact. energy: 2.046
local terms energy: -392.207585
where:
bonds (distance) C4'-P energy: -113.364
bonds (distance) P-C4' energy: -117.716
flat angles C4'-P-C4' energy: -88.990
flat angles P-C4'-P energy: -71.356
tors. eta vs tors. theta energy: -0.781
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: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2566.455990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.455990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.455990 (E_RNA)
where:
Base-Base interactions energy: -1795.522
where: short stacking energy: -739.465
Base-Backbone interact. energy: -4.446
local terms energy: -766.487895
where:
bonds (distance) C4'-P energy: -142.550
bonds (distance) P-C4' energy: -152.331
flat angles C4'-P-C4' energy: -156.116
flat angles P-C4'-P energy: -111.894
tors. eta vs tors. theta energy: -203.596
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: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2475.244610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.244610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.244610 (E_RNA)
where:
Base-Base interactions energy: -1712.708
where: short stacking energy: -742.580
Base-Backbone interact. energy: -2.993
local terms energy: -759.544428
where:
bonds (distance) C4'-P energy: -135.551
bonds (distance) P-C4' energy: -136.216
flat angles C4'-P-C4' energy: -165.015
flat angles P-C4'-P energy: -114.189
tors. eta vs tors. theta energy: -208.573
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: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2388.444052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.444052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.444052 (E_RNA)
where:
Base-Base interactions energy: -1633.045
where: short stacking energy: -714.961
Base-Backbone interact. energy: -3.532
local terms energy: -751.866950
where:
bonds (distance) C4'-P energy: -138.285
bonds (distance) P-C4' energy: -143.211
flat angles C4'-P-C4' energy: -157.351
flat angles P-C4'-P energy: -103.517
tors. eta vs tors. theta energy: -209.502
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: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2330.273360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.273360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.273360 (E_RNA)
where:
Base-Base interactions energy: -1609.681
where: short stacking energy: -699.382
Base-Backbone interact. energy: -3.348
local terms energy: -717.244630
where:
bonds (distance) C4'-P energy: -119.100
bonds (distance) P-C4' energy: -119.936
flat angles C4'-P-C4' energy: -157.364
flat angles P-C4'-P energy: -116.004
tors. eta vs tors. theta energy: -204.841
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: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2251.619531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.619531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.619531 (E_RNA)
where:
Base-Base interactions energy: -1554.659
where: short stacking energy: -669.249
Base-Backbone interact. energy: -0.532
local terms energy: -696.428749
where:
bonds (distance) C4'-P energy: -139.895
bonds (distance) P-C4' energy: -129.925
flat angles C4'-P-C4' energy: -151.282
flat angles P-C4'-P energy: -92.303
tors. eta vs tors. theta energy: -183.024
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: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2038.369373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.369373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.369373 (E_RNA)
where:
Base-Base interactions energy: -1390.114
where: short stacking energy: -600.168
Base-Backbone interact. energy: -1.704
local terms energy: -646.550633
where:
bonds (distance) C4'-P energy: -117.981
bonds (distance) P-C4' energy: -134.256
flat angles C4'-P-C4' energy: -150.051
flat angles P-C4'-P energy: -88.019
tors. eta vs tors. theta energy: -156.243
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: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1805.417175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.417175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.417175 (E_RNA)
where:
Base-Base interactions energy: -1224.970
where: short stacking energy: -538.554
Base-Backbone interact. energy: -1.978
local terms energy: -578.469466
where:
bonds (distance) C4'-P energy: -104.970
bonds (distance) P-C4' energy: -102.923
flat angles C4'-P-C4' energy: -136.355
flat angles P-C4'-P energy: -92.305
tors. eta vs tors. theta energy: -141.917
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: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1548.781826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.781826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.781826 (E_RNA)
where:
Base-Base interactions energy: -985.625
where: short stacking energy: -466.640
Base-Backbone interact. energy: -1.475
local terms energy: -561.681874
where:
bonds (distance) C4'-P energy: -108.078
bonds (distance) P-C4' energy: -125.347
flat angles C4'-P-C4' energy: -121.166
flat angles P-C4'-P energy: -99.208
tors. eta vs tors. theta energy: -107.883
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: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1112.493723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.493723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.493723 (E_RNA)
where:
Base-Base interactions energy: -652.177
where: short stacking energy: -331.331
Base-Backbone interact. energy: -2.404
local terms energy: -457.913311
where:
bonds (distance) C4'-P energy: -95.209
bonds (distance) P-C4' energy: -135.399
flat angles C4'-P-C4' energy: -106.967
flat angles P-C4'-P energy: -62.329
tors. eta vs tors. theta energy: -58.010
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: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -736.838989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.838989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.838989 (E_RNA)
where:
Base-Base interactions energy: -350.918
where: short stacking energy: -216.261
Base-Backbone interact. energy: 6.076
local terms energy: -391.996884
where:
bonds (distance) C4'-P energy: -96.213
bonds (distance) P-C4' energy: -121.184
flat angles C4'-P-C4' energy: -96.932
flat angles P-C4'-P energy: -66.850
tors. eta vs tors. theta energy: -10.818
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: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2576.265823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.265823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.265823 (E_RNA)
where:
Base-Base interactions energy: -1786.705
where: short stacking energy: -756.945
Base-Backbone interact. energy: -0.547
local terms energy: -789.014650
where:
bonds (distance) C4'-P energy: -151.081
bonds (distance) P-C4' energy: -154.020
flat angles C4'-P-C4' energy: -163.172
flat angles P-C4'-P energy: -112.310
tors. eta vs tors. theta energy: -208.432
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: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2447.866193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.866193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.866193 (E_RNA)
where:
Base-Base interactions energy: -1690.090
where: short stacking energy: -694.747
Base-Backbone interact. energy: -3.393
local terms energy: -754.383122
where:
bonds (distance) C4'-P energy: -143.558
bonds (distance) P-C4' energy: -151.122
flat angles C4'-P-C4' energy: -165.980
flat angles P-C4'-P energy: -103.961
tors. eta vs tors. theta energy: -189.763
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: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2312.805810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.805810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.805810 (E_RNA)
where:
Base-Base interactions energy: -1585.722
where: short stacking energy: -685.315
Base-Backbone interact. energy: -4.101
local terms energy: -722.982067
where:
bonds (distance) C4'-P energy: -135.862
bonds (distance) P-C4' energy: -139.883
flat angles C4'-P-C4' energy: -154.362
flat angles P-C4'-P energy: -97.683
tors. eta vs tors. theta energy: -195.191
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: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2337.036785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.036785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.036785 (E_RNA)
where:
Base-Base interactions energy: -1575.093
where: short stacking energy: -697.896
Base-Backbone interact. energy: -2.071
local terms energy: -759.873174
where:
bonds (distance) C4'-P energy: -151.742
bonds (distance) P-C4' energy: -141.803
flat angles C4'-P-C4' energy: -159.333
flat angles P-C4'-P energy: -106.235
tors. eta vs tors. theta energy: -200.760
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: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2229.517056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.517056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.517056 (E_RNA)
where:
Base-Base interactions energy: -1528.187
where: short stacking energy: -663.140
Base-Backbone interact. energy: 3.455
local terms energy: -704.784800
where:
bonds (distance) C4'-P energy: -125.616
bonds (distance) P-C4' energy: -137.038
flat angles C4'-P-C4' energy: -148.348
flat angles P-C4'-P energy: -104.754
tors. eta vs tors. theta energy: -189.029
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: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2053.052446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.052446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.052446 (E_RNA)
where:
Base-Base interactions energy: -1396.523
where: short stacking energy: -600.734
Base-Backbone interact. energy: 1.849
local terms energy: -658.378815
where:
bonds (distance) C4'-P energy: -130.799
bonds (distance) P-C4' energy: -133.318
flat angles C4'-P-C4' energy: -153.479
flat angles P-C4'-P energy: -89.107
tors. eta vs tors. theta energy: -151.676
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: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1718.786488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.786488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.786488 (E_RNA)
where:
Base-Base interactions energy: -1140.475
where: short stacking energy: -498.197
Base-Backbone interact. energy: 0.412
local terms energy: -578.723826
where:
bonds (distance) C4'-P energy: -109.266
bonds (distance) P-C4' energy: -127.310
flat angles C4'-P-C4' energy: -140.147
flat angles P-C4'-P energy: -86.806
tors. eta vs tors. theta energy: -115.195
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: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1570.117254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.117254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.117254 (E_RNA)
where:
Base-Base interactions energy: -1023.322
where: short stacking energy: -487.759
Base-Backbone interact. energy: -0.790
local terms energy: -546.005134
where:
bonds (distance) C4'-P energy: -99.748
bonds (distance) P-C4' energy: -130.801
flat angles C4'-P-C4' energy: -123.820
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -114.085
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: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1097.247531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.247531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.247531 (E_RNA)
where:
Base-Base interactions energy: -648.923
where: short stacking energy: -290.463
Base-Backbone interact. energy: -1.995
local terms energy: -446.329926
where:
bonds (distance) C4'-P energy: -114.334
bonds (distance) P-C4' energy: -116.861
flat angles C4'-P-C4' energy: -126.467
flat angles P-C4'-P energy: -54.404
tors. eta vs tors. theta energy: -34.263
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: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -736.766643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.766643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.766643 (E_RNA)
where:
Base-Base interactions energy: -350.546
where: short stacking energy: -211.871
Base-Backbone interact. energy: -1.304
local terms energy: -384.916484
where:
bonds (distance) C4'-P energy: -98.271
bonds (distance) P-C4' energy: -122.970
flat angles C4'-P-C4' energy: -101.208
flat angles P-C4'-P energy: -65.087
tors. eta vs tors. theta energy: 2.619
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: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2586.806824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.806824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.806824 (E_RNA)
where:
Base-Base interactions energy: -1790.112
where: short stacking energy: -734.143
Base-Backbone interact. energy: -4.468
local terms energy: -792.227051
where:
bonds (distance) C4'-P energy: -161.552
bonds (distance) P-C4' energy: -159.134
flat angles C4'-P-C4' energy: -158.067
flat angles P-C4'-P energy: -99.113
tors. eta vs tors. theta energy: -214.361
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: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2453.995550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.995550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.995550 (E_RNA)
where:
Base-Base interactions energy: -1708.817
where: short stacking energy: -707.176
Base-Backbone interact. energy: -1.359
local terms energy: -743.819281
where:
bonds (distance) C4'-P energy: -128.996
bonds (distance) P-C4' energy: -139.556
flat angles C4'-P-C4' energy: -167.515
flat angles P-C4'-P energy: -117.879
tors. eta vs tors. theta energy: -189.873
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: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2339.899956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.899956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.899956 (E_RNA)
where:
Base-Base interactions energy: -1573.338
where: short stacking energy: -700.165
Base-Backbone interact. energy: -0.774
local terms energy: -765.787825
where:
bonds (distance) C4'-P energy: -138.292
bonds (distance) P-C4' energy: -149.215
flat angles C4'-P-C4' energy: -158.662
flat angles P-C4'-P energy: -117.037
tors. eta vs tors. theta energy: -202.581
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: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2292.458172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.458172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.458172 (E_RNA)
where:
Base-Base interactions energy: -1573.673
where: short stacking energy: -699.596
Base-Backbone interact. energy: -1.733
local terms energy: -717.052560
where:
bonds (distance) C4'-P energy: -145.661
bonds (distance) P-C4' energy: -130.841
flat angles C4'-P-C4' energy: -143.025
flat angles P-C4'-P energy: -97.582
tors. eta vs tors. theta energy: -199.942
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: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2201.042367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.042367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.042367 (E_RNA)
where:
Base-Base interactions energy: -1518.646
where: short stacking energy: -665.747
Base-Backbone interact. energy: -5.148
local terms energy: -677.248511
where:
bonds (distance) C4'-P energy: -117.104
bonds (distance) P-C4' energy: -142.254
flat angles C4'-P-C4' energy: -137.511
flat angles P-C4'-P energy: -87.092
tors. eta vs tors. theta energy: -193.288
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: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2072.393155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.393155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.393155 (E_RNA)
where:
Base-Base interactions energy: -1429.444
where: short stacking energy: -625.578
Base-Backbone interact. energy: -2.042
local terms energy: -640.907606
where:
bonds (distance) C4'-P energy: -112.471
bonds (distance) P-C4' energy: -126.125
flat angles C4'-P-C4' energy: -137.688
flat angles P-C4'-P energy: -100.059
tors. eta vs tors. theta energy: -164.565
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: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1757.101228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.101228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.101228 (E_RNA)
where:
Base-Base interactions energy: -1153.227
where: short stacking energy: -532.684
Base-Backbone interact. energy: -0.369
local terms energy: -603.504578
where:
bonds (distance) C4'-P energy: -128.332
bonds (distance) P-C4' energy: -115.931
flat angles C4'-P-C4' energy: -149.951
flat angles P-C4'-P energy: -75.194
tors. eta vs tors. theta energy: -134.097
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: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1595.526061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.526061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.526061 (E_RNA)
where:
Base-Base interactions energy: -1036.439
where: short stacking energy: -476.527
Base-Backbone interact. energy: 1.776
local terms energy: -560.862852
where:
bonds (distance) C4'-P energy: -136.643
bonds (distance) P-C4' energy: -116.351
flat angles C4'-P-C4' energy: -135.546
flat angles P-C4'-P energy: -75.953
tors. eta vs tors. theta energy: -96.371
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: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1066.553836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.553836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.553836 (E_RNA)
where:
Base-Base interactions energy: -630.096
where: short stacking energy: -283.698
Base-Backbone interact. energy: -3.146
local terms energy: -433.312405
where:
bonds (distance) C4'-P energy: -124.786
bonds (distance) P-C4' energy: -112.999
flat angles C4'-P-C4' energy: -94.363
flat angles P-C4'-P energy: -80.230
tors. eta vs tors. theta energy: -20.935
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: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -683.487005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.487005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.487005 (E_RNA)
where:
Base-Base interactions energy: -307.291
where: short stacking energy: -171.107
Base-Backbone interact. energy: 0.367
local terms energy: -376.562652
where:
bonds (distance) C4'-P energy: -121.471
bonds (distance) P-C4' energy: -114.445
flat angles C4'-P-C4' energy: -102.376
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: 7.380
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: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2599.898735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.898735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.898735 (E_RNA)
where:
Base-Base interactions energy: -1826.490
where: short stacking energy: -736.279
Base-Backbone interact. energy: -3.896
local terms energy: -769.512306
where:
bonds (distance) C4'-P energy: -144.660
bonds (distance) P-C4' energy: -133.497
flat angles C4'-P-C4' energy: -164.998
flat angles P-C4'-P energy: -110.740
tors. eta vs tors. theta energy: -215.618
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: 239
Temperature: 0.950000
Total energy: -2427.897610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.897610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.897610 (E_RNA)
where:
Base-Base interactions energy: -1658.909
where: short stacking energy: -734.108
Base-Backbone interact. energy: -0.523
local terms energy: -768.465669
where:
bonds (distance) C4'-P energy: -139.087
bonds (distance) P-C4' energy: -139.718
flat angles C4'-P-C4' energy: -164.637
flat angles P-C4'-P energy: -118.280
tors. eta vs tors. theta energy: -206.744
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: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2406.508728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.508728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.508728 (E_RNA)
where:
Base-Base interactions energy: -1679.706
where: short stacking energy: -683.061
Base-Backbone interact. energy: 0.392
local terms energy: -727.195115
where:
bonds (distance) C4'-P energy: -122.495
bonds (distance) P-C4' energy: -143.256
flat angles C4'-P-C4' energy: -166.174
flat angles P-C4'-P energy: -101.626
tors. eta vs tors. theta energy: -193.644
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: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2298.544506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.544506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.544506 (E_RNA)
where:
Base-Base interactions energy: -1560.472
where: short stacking energy: -702.558
Base-Backbone interact. energy: -2.512
local terms energy: -735.560824
where:
bonds (distance) C4'-P energy: -136.177
bonds (distance) P-C4' energy: -143.684
flat angles C4'-P-C4' energy: -147.422
flat angles P-C4'-P energy: -103.297
tors. eta vs tors. theta energy: -204.982
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: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2194.085830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.085830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.085830 (E_RNA)
where:
Base-Base interactions energy: -1522.988
where: short stacking energy: -664.196
Base-Backbone interact. energy: -2.541
local terms energy: -668.556637
where:
bonds (distance) C4'-P energy: -114.090
bonds (distance) P-C4' energy: -114.494
flat angles C4'-P-C4' energy: -143.860
flat angles P-C4'-P energy: -109.026
tors. eta vs tors. theta energy: -187.085
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: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2066.722187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.722187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.722187 (E_RNA)
where:
Base-Base interactions energy: -1409.114
where: short stacking energy: -615.650
Base-Backbone interact. energy: -0.985
local terms energy: -656.622314
where:
bonds (distance) C4'-P energy: -121.992
bonds (distance) P-C4' energy: -121.774
flat angles C4'-P-C4' energy: -141.365
flat angles P-C4'-P energy: -105.142
tors. eta vs tors. theta energy: -166.349
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: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1858.464988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.464988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.464988 (E_RNA)
where:
Base-Base interactions energy: -1251.417
where: short stacking energy: -549.355
Base-Backbone interact. energy: 0.081
local terms energy: -607.129182
where:
bonds (distance) C4'-P energy: -113.375
bonds (distance) P-C4' energy: -123.850
flat angles C4'-P-C4' energy: -140.687
flat angles P-C4'-P energy: -79.446
tors. eta vs tors. theta energy: -149.772
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: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1579.433277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.433277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.433277 (E_RNA)
where:
Base-Base interactions energy: -1052.461
where: short stacking energy: -456.749
Base-Backbone interact. energy: -5.088
local terms energy: -521.884863
where:
bonds (distance) C4'-P energy: -96.694
bonds (distance) P-C4' energy: -120.604
flat angles C4'-P-C4' energy: -122.611
flat angles P-C4'-P energy: -80.597
tors. eta vs tors. theta energy: -101.379
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: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1104.581383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.581383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.581383 (E_RNA)
where:
Base-Base interactions energy: -651.742
where: short stacking energy: -323.312
Base-Backbone interact. energy: -1.987
local terms energy: -450.852214
where:
bonds (distance) C4'-P energy: -112.122
bonds (distance) P-C4' energy: -106.141
flat angles C4'-P-C4' energy: -117.972
flat angles P-C4'-P energy: -62.015
tors. eta vs tors. theta energy: -52.602
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: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -702.707723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.707723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.707723 (E_RNA)
where:
Base-Base interactions energy: -309.305
where: short stacking energy: -202.377
Base-Backbone interact. energy: 3.857
local terms energy: -397.259598
where:
bonds (distance) C4'-P energy: -116.976
bonds (distance) P-C4' energy: -121.127
flat angles C4'-P-C4' energy: -103.708
flat angles P-C4'-P energy: -61.024
tors. eta vs tors. theta energy: 5.575
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: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2578.513861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.513861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.513861 (E_RNA)
where:
Base-Base interactions energy: -1783.142
where: short stacking energy: -768.505
Base-Backbone interact. energy: -7.649
local terms energy: -787.722756
where:
bonds (distance) C4'-P energy: -145.781
bonds (distance) P-C4' energy: -149.057
flat angles C4'-P-C4' energy: -167.183
flat angles P-C4'-P energy: -110.453
tors. eta vs tors. theta energy: -215.249
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: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2435.121763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.121763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.121763 (E_RNA)
where:
Base-Base interactions energy: -1672.670
where: short stacking energy: -714.446
Base-Backbone interact. energy: -4.051
local terms energy: -758.400403
where:
bonds (distance) C4'-P energy: -143.221
bonds (distance) P-C4' energy: -140.899
flat angles C4'-P-C4' energy: -154.949
flat angles P-C4'-P energy: -111.598
tors. eta vs tors. theta energy: -207.733
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: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2376.445229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.445229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.445229 (E_RNA)
where:
Base-Base interactions energy: -1646.001
where: short stacking energy: -682.227
Base-Backbone interact. energy: 0.603
local terms energy: -731.047141
where:
bonds (distance) C4'-P energy: -137.639
bonds (distance) P-C4' energy: -134.362
flat angles C4'-P-C4' energy: -164.065
flat angles P-C4'-P energy: -104.090
tors. eta vs tors. theta energy: -190.891
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: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2270.407156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.407156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.407156 (E_RNA)
where:
Base-Base interactions energy: -1530.530
where: short stacking energy: -680.070
Base-Backbone interact. energy: -2.077
local terms energy: -737.800171
where:
bonds (distance) C4'-P energy: -138.598
bonds (distance) P-C4' energy: -148.095
flat angles C4'-P-C4' energy: -151.234
flat angles P-C4'-P energy: -106.181
tors. eta vs tors. theta energy: -193.691
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: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2198.767675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.767675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.767675 (E_RNA)
where:
Base-Base interactions energy: -1519.747
where: short stacking energy: -661.398
Base-Backbone interact. energy: -0.573
local terms energy: -678.448263
where:
bonds (distance) C4'-P energy: -121.979
bonds (distance) P-C4' energy: -135.808
flat angles C4'-P-C4' energy: -150.275
flat angles P-C4'-P energy: -86.751
tors. eta vs tors. theta energy: -183.635
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: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2097.381586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.381586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.381586 (E_RNA)
where:
Base-Base interactions energy: -1458.150
where: short stacking energy: -629.075
Base-Backbone interact. energy: -3.254
local terms energy: -635.978261
where:
bonds (distance) C4'-P energy: -124.457
bonds (distance) P-C4' energy: -111.341
flat angles C4'-P-C4' energy: -137.048
flat angles P-C4'-P energy: -90.469
tors. eta vs tors. theta energy: -172.662
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: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1876.047400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.047400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.047400 (E_RNA)
where:
Base-Base interactions energy: -1297.898
where: short stacking energy: -574.827
Base-Backbone interact. energy: -1.951
local terms energy: -576.198370
where:
bonds (distance) C4'-P energy: -94.189
bonds (distance) P-C4' energy: -109.518
flat angles C4'-P-C4' energy: -138.112
flat angles P-C4'-P energy: -79.722
tors. eta vs tors. theta energy: -154.658
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: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1573.550744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.550744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.550744 (E_RNA)
where:
Base-Base interactions energy: -998.414
where: short stacking energy: -446.749
Base-Backbone interact. energy: -2.020
local terms energy: -573.116881
where:
bonds (distance) C4'-P energy: -120.588
bonds (distance) P-C4' energy: -146.759
flat angles C4'-P-C4' energy: -129.581
flat angles P-C4'-P energy: -76.193
tors. eta vs tors. theta energy: -99.995
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: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1113.203625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.203625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.203625 (E_RNA)
where:
Base-Base interactions energy: -659.148
where: short stacking energy: -314.792
Base-Backbone interact. energy: -1.739
local terms energy: -452.316767
where:
bonds (distance) C4'-P energy: -118.570
bonds (distance) P-C4' energy: -113.806
flat angles C4'-P-C4' energy: -115.586
flat angles P-C4'-P energy: -65.106
tors. eta vs tors. theta energy: -39.249
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: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -709.686031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.686031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.686031 (E_RNA)
where:
Base-Base interactions energy: -318.661
where: short stacking energy: -216.224
Base-Backbone interact. energy: -2.230
local terms energy: -388.795715
where:
bonds (distance) C4'-P energy: -134.038
bonds (distance) P-C4' energy: -104.303
flat angles C4'-P-C4' energy: -94.700
flat angles P-C4'-P energy: -62.136
tors. eta vs tors. theta energy: 6.381
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: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2582.899630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.899630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.899630 (E_RNA)
where:
Base-Base interactions energy: -1808.830
where: short stacking energy: -752.031
Base-Backbone interact. energy: -4.381
local terms energy: -769.689089
where:
bonds (distance) C4'-P energy: -150.395
bonds (distance) P-C4' energy: -141.214
flat angles C4'-P-C4' energy: -156.343
flat angles P-C4'-P energy: -105.963
tors. eta vs tors. theta energy: -215.774
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: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2447.251763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.251763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.251763 (E_RNA)
where:
Base-Base interactions energy: -1689.876
where: short stacking energy: -727.425
Base-Backbone interact. energy: -3.644
local terms energy: -753.732092
where:
bonds (distance) C4'-P energy: -139.530
bonds (distance) P-C4' energy: -126.978
flat angles C4'-P-C4' energy: -165.260
flat angles P-C4'-P energy: -113.334
tors. eta vs tors. theta energy: -208.631
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: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2360.619586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.619586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.619586 (E_RNA)
where:
Base-Base interactions energy: -1640.155
where: short stacking energy: -693.565
Base-Backbone interact. energy: -1.698
local terms energy: -718.766201
where:
bonds (distance) C4'-P energy: -142.583
bonds (distance) P-C4' energy: -137.321
flat angles C4'-P-C4' energy: -158.382
flat angles P-C4'-P energy: -84.039
tors. eta vs tors. theta energy: -196.442
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: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2296.236064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.236064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.236064 (E_RNA)
where:
Base-Base interactions energy: -1574.507
where: short stacking energy: -687.601
Base-Backbone interact. energy: -2.174
local terms energy: -719.555802
where:
bonds (distance) C4'-P energy: -116.015
bonds (distance) P-C4' energy: -133.831
flat angles C4'-P-C4' energy: -156.772
flat angles P-C4'-P energy: -107.084
tors. eta vs tors. theta energy: -205.854
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: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2211.452486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.452486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.452486 (E_RNA)
where:
Base-Base interactions energy: -1525.745
where: short stacking energy: -648.690
Base-Backbone interact. energy: 2.528
local terms energy: -688.235690
where:
bonds (distance) C4'-P energy: -139.726
bonds (distance) P-C4' energy: -133.905
flat angles C4'-P-C4' energy: -144.184
flat angles P-C4'-P energy: -80.944
tors. eta vs tors. theta energy: -189.477
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: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2098.609564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.609564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.609564 (E_RNA)
where:
Base-Base interactions energy: -1429.420
where: short stacking energy: -618.201
Base-Backbone interact. energy: 1.233
local terms energy: -670.423349
where:
bonds (distance) C4'-P energy: -148.656
bonds (distance) P-C4' energy: -108.697
flat angles C4'-P-C4' energy: -131.046
flat angles P-C4'-P energy: -106.193
tors. eta vs tors. theta energy: -175.832
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: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1914.807552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.807552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.807552 (E_RNA)
where:
Base-Base interactions energy: -1281.490
where: short stacking energy: -556.970
Base-Backbone interact. energy: -0.170
local terms energy: -633.147513
where:
bonds (distance) C4'-P energy: -135.259
bonds (distance) P-C4' energy: -125.774
flat angles C4'-P-C4' energy: -128.822
flat angles P-C4'-P energy: -83.876
tors. eta vs tors. theta energy: -159.416
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: 241
Temperature: 1.250000
Total energy: -1573.011642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.011642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.011642 (E_RNA)
where:
Base-Base interactions energy: -1066.983
where: short stacking energy: -484.532
Base-Backbone interact. energy: 6.986
local terms energy: -513.014598
where:
bonds (distance) C4'-P energy: -101.423
bonds (distance) P-C4' energy: -115.570
flat angles C4'-P-C4' energy: -119.202
flat angles P-C4'-P energy: -68.585
tors. eta vs tors. theta energy: -108.234
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: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1120.881483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.881483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.881483 (E_RNA)
where:
Base-Base interactions energy: -639.947
where: short stacking energy: -326.277
Base-Backbone interact. energy: 5.110
local terms energy: -486.044981
where:
bonds (distance) C4'-P energy: -124.210
bonds (distance) P-C4' energy: -120.157
flat angles C4'-P-C4' energy: -109.593
flat angles P-C4'-P energy: -85.176
tors. eta vs tors. theta energy: -46.909
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: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -729.595385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.595385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.595385 (E_RNA)
where:
Base-Base interactions energy: -359.038
where: short stacking energy: -242.036
Base-Backbone interact. energy: 2.885
local terms energy: -373.441813
where:
bonds (distance) C4'-P energy: -87.227
bonds (distance) P-C4' energy: -114.346
flat angles C4'-P-C4' energy: -113.800
flat angles P-C4'-P energy: -59.192
tors. eta vs tors. theta energy: 1.123
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: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2568.096453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.096453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.096453 (E_RNA)
where:
Base-Base interactions energy: -1781.452
where: short stacking energy: -740.202
Base-Backbone interact. energy: -2.352
local terms energy: -784.291939
where:
bonds (distance) C4'-P energy: -138.415
bonds (distance) P-C4' energy: -148.202
flat angles C4'-P-C4' energy: -159.779
flat angles P-C4'-P energy: -126.820
tors. eta vs tors. theta energy: -211.076
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: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2421.107822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.107822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.107822 (E_RNA)
where:
Base-Base interactions energy: -1677.772
where: short stacking energy: -697.830
Base-Backbone interact. energy: -0.263
local terms energy: -743.072732
where:
bonds (distance) C4'-P energy: -126.238
bonds (distance) P-C4' energy: -150.738
flat angles C4'-P-C4' energy: -162.555
flat angles P-C4'-P energy: -105.362
tors. eta vs tors. theta energy: -198.181
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: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2383.066331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.066331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.066331 (E_RNA)
where:
Base-Base interactions energy: -1644.503
where: short stacking energy: -725.238
Base-Backbone interact. energy: -1.855
local terms energy: -736.708841
where:
bonds (distance) C4'-P energy: -132.985
bonds (distance) P-C4' energy: -126.949
flat angles C4'-P-C4' energy: -158.313
flat angles P-C4'-P energy: -115.923
tors. eta vs tors. theta energy: -202.538
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: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2287.529243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.529243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.529243 (E_RNA)
where:
Base-Base interactions energy: -1587.703
where: short stacking energy: -671.058
Base-Backbone interact. energy: -3.167
local terms energy: -696.658816
where:
bonds (distance) C4'-P energy: -116.618
bonds (distance) P-C4' energy: -136.654
flat angles C4'-P-C4' energy: -153.951
flat angles P-C4'-P energy: -97.310
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: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2147.847482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.847482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.847482 (E_RNA)
where:
Base-Base interactions energy: -1481.646
where: short stacking energy: -622.728
Base-Backbone interact. energy: -2.179
local terms energy: -664.022551
where:
bonds (distance) C4'-P energy: -114.203
bonds (distance) P-C4' energy: -127.718
flat angles C4'-P-C4' energy: -155.691
flat angles P-C4'-P energy: -85.931
tors. eta vs tors. theta energy: -180.480
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: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2083.922587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.922587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.922587 (E_RNA)
where:
Base-Base interactions energy: -1415.945
where: short stacking energy: -573.296
Base-Backbone interact. energy: -5.899
local terms energy: -662.078617
where:
bonds (distance) C4'-P energy: -131.227
bonds (distance) P-C4' energy: -119.808
flat angles C4'-P-C4' energy: -147.682
flat angles P-C4'-P energy: -93.727
tors. eta vs tors. theta energy: -169.634
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: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1854.195565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.195565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.195565 (E_RNA)
where:
Base-Base interactions energy: -1238.821
where: short stacking energy: -542.731
Base-Backbone interact. energy: -4.992
local terms energy: -610.382501
where:
bonds (distance) C4'-P energy: -117.671
bonds (distance) P-C4' energy: -112.405
flat angles C4'-P-C4' energy: -138.469
flat angles P-C4'-P energy: -97.139
tors. eta vs tors. theta energy: -144.699
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: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1522.017218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.017218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.017218 (E_RNA)
where:
Base-Base interactions energy: -1001.080
where: short stacking energy: -443.629
Base-Backbone interact. energy: -2.135
local terms energy: -518.801501
where:
bonds (distance) C4'-P energy: -105.624
bonds (distance) P-C4' energy: -115.033
flat angles C4'-P-C4' energy: -118.815
flat angles P-C4'-P energy: -80.968
tors. eta vs tors. theta energy: -98.362
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: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1103.330054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.330054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.330054 (E_RNA)
where:
Base-Base interactions energy: -651.035
where: short stacking energy: -314.813
Base-Backbone interact. energy: 3.070
local terms energy: -455.365058
where:
bonds (distance) C4'-P energy: -118.689
bonds (distance) P-C4' energy: -106.637
flat angles C4'-P-C4' energy: -115.751
flat angles P-C4'-P energy: -70.355
tors. eta vs tors. theta energy: -43.933
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: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -708.938147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.938147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.938147 (E_RNA)
where:
Base-Base interactions energy: -316.266
where: short stacking energy: -194.581
Base-Backbone interact. energy: 4.720
local terms energy: -397.392557
where:
bonds (distance) C4'-P energy: -129.714
bonds (distance) P-C4' energy: -140.696
flat angles C4'-P-C4' energy: -91.245
flat angles P-C4'-P energy: -53.743
tors. eta vs tors. theta energy: 18.006
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: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2574.106314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.106314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.106314 (E_RNA)
where:
Base-Base interactions energy: -1767.849
where: short stacking energy: -771.472
Base-Backbone interact. energy: -3.363
local terms energy: -802.894780
where:
bonds (distance) C4'-P energy: -142.136
bonds (distance) P-C4' energy: -145.875
flat angles C4'-P-C4' energy: -176.353
flat angles P-C4'-P energy: -113.502
tors. eta vs tors. theta energy: -225.028
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: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2450.625945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.625945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.625945 (E_RNA)
where:
Base-Base interactions energy: -1697.875
where: short stacking energy: -730.985
Base-Backbone interact. energy: 0.775
local terms energy: -753.525307
where:
bonds (distance) C4'-P energy: -124.923
bonds (distance) P-C4' energy: -131.802
flat angles C4'-P-C4' energy: -172.253
flat angles P-C4'-P energy: -124.124
tors. eta vs tors. theta energy: -200.424
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: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2380.105890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.105890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.105890 (E_RNA)
where:
Base-Base interactions energy: -1617.272
where: short stacking energy: -681.851
Base-Backbone interact. energy: -3.457
local terms energy: -759.376881
where:
bonds (distance) C4'-P energy: -134.520
bonds (distance) P-C4' energy: -135.276
flat angles C4'-P-C4' energy: -169.006
flat angles P-C4'-P energy: -119.480
tors. eta vs tors. theta energy: -201.095
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: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2249.412111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.412111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.412111 (E_RNA)
where:
Base-Base interactions energy: -1545.210
where: short stacking energy: -680.875
Base-Backbone interact. energy: -0.351
local terms energy: -703.850879
where:
bonds (distance) C4'-P energy: -126.879
bonds (distance) P-C4' energy: -131.171
flat angles C4'-P-C4' energy: -153.880
flat angles P-C4'-P energy: -98.626
tors. eta vs tors. theta energy: -193.294
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: 243
Temperature: 1.100000
Total energy: -2110.001169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.001169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.001169 (E_RNA)
where:
Base-Base interactions energy: -1433.676
where: short stacking energy: -600.526
Base-Backbone interact. energy: -2.298
local terms energy: -674.026778
where:
bonds (distance) C4'-P energy: -130.412
bonds (distance) P-C4' energy: -127.324
flat angles C4'-P-C4' energy: -156.656
flat angles P-C4'-P energy: -89.299
tors. eta vs tors. theta energy: -170.337
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: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2125.013752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.013752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.013752 (E_RNA)
where:
Base-Base interactions energy: -1457.313
where: short stacking energy: -600.985
Base-Backbone interact. energy: -2.286
local terms energy: -665.414380
where:
bonds (distance) C4'-P energy: -113.091
bonds (distance) P-C4' energy: -130.875
flat angles C4'-P-C4' energy: -151.708
flat angles P-C4'-P energy: -102.303
tors. eta vs tors. theta energy: -167.437
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: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1946.218219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.218219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.218219 (E_RNA)
where:
Base-Base interactions energy: -1338.142
where: short stacking energy: -551.459
Base-Backbone interact. energy: 1.629
local terms energy: -609.705044
where:
bonds (distance) C4'-P energy: -114.785
bonds (distance) P-C4' energy: -122.114
flat angles C4'-P-C4' energy: -118.041
flat angles P-C4'-P energy: -99.082
tors. eta vs tors. theta energy: -155.683
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: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1547.921160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.921160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.921160 (E_RNA)
where:
Base-Base interactions energy: -974.971
where: short stacking energy: -432.711
Base-Backbone interact. energy: -2.403
local terms energy: -570.546650
where:
bonds (distance) C4'-P energy: -124.616
bonds (distance) P-C4' energy: -116.140
flat angles C4'-P-C4' energy: -151.230
flat angles P-C4'-P energy: -92.291
tors. eta vs tors. theta energy: -86.269
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: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1176.493630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.493630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.493630 (E_RNA)
where:
Base-Base interactions energy: -722.114
where: short stacking energy: -358.996
Base-Backbone interact. energy: 4.757
local terms energy: -459.137130
where:
bonds (distance) C4'-P energy: -111.003
bonds (distance) P-C4' energy: -123.023
flat angles C4'-P-C4' energy: -113.102
flat angles P-C4'-P energy: -59.083
tors. eta vs tors. theta energy: -52.925
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: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -675.584089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.584089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.584089 (E_RNA)
where:
Base-Base interactions energy: -286.348
where: short stacking energy: -196.667
Base-Backbone interact. energy: -1.415
local terms energy: -387.820869
where:
bonds (distance) C4'-P energy: -101.812
bonds (distance) P-C4' energy: -130.222
flat angles C4'-P-C4' energy: -104.094
flat angles P-C4'-P energy: -56.532
tors. eta vs tors. theta energy: 4.840
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: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2542.761179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.761179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.761179 (E_RNA)
where:
Base-Base interactions energy: -1743.675
where: short stacking energy: -741.163
Base-Backbone interact. energy: -0.124
local terms energy: -798.962159
where:
bonds (distance) C4'-P energy: -146.142
bonds (distance) P-C4' energy: -146.124
flat angles C4'-P-C4' energy: -167.064
flat angles P-C4'-P energy: -113.378
tors. eta vs tors. theta energy: -226.253
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: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2430.592856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.592856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.592856 (E_RNA)
where:
Base-Base interactions energy: -1677.883
where: short stacking energy: -689.724
Base-Backbone interact. energy: -0.565
local terms energy: -752.144489
where:
bonds (distance) C4'-P energy: -130.626
bonds (distance) P-C4' energy: -147.083
flat angles C4'-P-C4' energy: -168.842
flat angles P-C4'-P energy: -102.414
tors. eta vs tors. theta energy: -203.179
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: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2392.230254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.230254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.230254 (E_RNA)
where:
Base-Base interactions energy: -1655.585
where: short stacking energy: -707.888
Base-Backbone interact. energy: -1.142
local terms energy: -735.503663
where:
bonds (distance) C4'-P energy: -135.981
bonds (distance) P-C4' energy: -150.137
flat angles C4'-P-C4' energy: -153.589
flat angles P-C4'-P energy: -110.997
tors. eta vs tors. theta energy: -184.800
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: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2309.576683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.576683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.576683 (E_RNA)
where:
Base-Base interactions energy: -1586.583
where: short stacking energy: -721.687
Base-Backbone interact. energy: -0.997
local terms energy: -721.997023
where:
bonds (distance) C4'-P energy: -127.085
bonds (distance) P-C4' energy: -131.981
flat angles C4'-P-C4' energy: -151.708
flat angles P-C4'-P energy: -100.835
tors. eta vs tors. theta energy: -210.387
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: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2150.044284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.044284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.044284 (E_RNA)
where:
Base-Base interactions energy: -1462.955
where: short stacking energy: -656.959
Base-Backbone interact. energy: -0.708
local terms energy: -686.381820
where:
bonds (distance) C4'-P energy: -116.862
bonds (distance) P-C4' energy: -141.721
flat angles C4'-P-C4' energy: -162.077
flat angles P-C4'-P energy: -90.124
tors. eta vs tors. theta energy: -175.597
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: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2095.951990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.951990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.951990 (E_RNA)
where:
Base-Base interactions energy: -1432.773
where: short stacking energy: -628.797
Base-Backbone interact. energy: 3.938
local terms energy: -667.117552
where:
bonds (distance) C4'-P energy: -127.136
bonds (distance) P-C4' energy: -130.563
flat angles C4'-P-C4' energy: -146.938
flat angles P-C4'-P energy: -93.399
tors. eta vs tors. theta energy: -169.081
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: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1944.811326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.811326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.811326 (E_RNA)
where:
Base-Base interactions energy: -1309.748
where: short stacking energy: -559.397
Base-Backbone interact. energy: -2.714
local terms energy: -632.349731
where:
bonds (distance) C4'-P energy: -101.918
bonds (distance) P-C4' energy: -134.616
flat angles C4'-P-C4' energy: -133.873
flat angles P-C4'-P energy: -103.801
tors. eta vs tors. theta energy: -158.142
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: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1526.852476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.852476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.852476 (E_RNA)
where:
Base-Base interactions energy: -945.506
where: short stacking energy: -417.849
Base-Backbone interact. energy: -0.734
local terms energy: -580.612077
where:
bonds (distance) C4'-P energy: -116.951
bonds (distance) P-C4' energy: -139.388
flat angles C4'-P-C4' energy: -141.655
flat angles P-C4'-P energy: -92.001
tors. eta vs tors. theta energy: -90.618
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: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1108.332070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.332070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.332070 (E_RNA)
where:
Base-Base interactions energy: -645.965
where: short stacking energy: -306.755
Base-Backbone interact. energy: -2.126
local terms energy: -460.241092
where:
bonds (distance) C4'-P energy: -108.703
bonds (distance) P-C4' energy: -136.610
flat angles C4'-P-C4' energy: -106.551
flat angles P-C4'-P energy: -68.200
tors. eta vs tors. theta energy: -40.178
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: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -698.644824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.644824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.644824 (E_RNA)
where:
Base-Base interactions energy: -338.596
where: short stacking energy: -186.524
Base-Backbone interact. energy: -1.296
local terms energy: -358.753303
where:
bonds (distance) C4'-P energy: -111.605
bonds (distance) P-C4' energy: -105.948
flat angles C4'-P-C4' energy: -88.022
flat angles P-C4'-P energy: -69.773
tors. eta vs tors. theta energy: 16.594
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: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2580.024344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.024344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.024344 (E_RNA)
where:
Base-Base interactions energy: -1799.552
where: short stacking energy: -752.977
Base-Backbone interact. energy: -3.064
local terms energy: -777.408744
where:
bonds (distance) C4'-P energy: -136.547
bonds (distance) P-C4' energy: -143.510
flat angles C4'-P-C4' energy: -167.447
flat angles P-C4'-P energy: -117.157
tors. eta vs tors. theta energy: -212.747
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: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2433.137594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.137594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.137594 (E_RNA)
where:
Base-Base interactions energy: -1676.939
where: short stacking energy: -724.377
Base-Backbone interact. energy: -1.924
local terms energy: -754.274817
where:
bonds (distance) C4'-P energy: -131.994
bonds (distance) P-C4' energy: -150.769
flat angles C4'-P-C4' energy: -168.717
flat angles P-C4'-P energy: -105.281
tors. eta vs tors. theta energy: -197.513
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: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2358.585898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.585898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.585898 (E_RNA)
where:
Base-Base interactions energy: -1615.253
where: short stacking energy: -705.435
Base-Backbone interact. energy: -2.121
local terms energy: -741.211761
where:
bonds (distance) C4'-P energy: -140.701
bonds (distance) P-C4' energy: -136.502
flat angles C4'-P-C4' energy: -162.777
flat angles P-C4'-P energy: -111.067
tors. eta vs tors. theta energy: -190.165
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: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2321.923065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.923065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.923065 (E_RNA)
where:
Base-Base interactions energy: -1584.911
where: short stacking energy: -698.983
Base-Backbone interact. energy: 0.195
local terms energy: -737.207181
where:
bonds (distance) C4'-P energy: -137.470
bonds (distance) P-C4' energy: -147.218
flat angles C4'-P-C4' energy: -156.287
flat angles P-C4'-P energy: -99.720
tors. eta vs tors. theta energy: -196.512
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: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2129.726449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.726449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.726449 (E_RNA)
where:
Base-Base interactions energy: -1466.359
where: short stacking energy: -637.175
Base-Backbone interact. energy: 3.267
local terms energy: -666.634049
where:
bonds (distance) C4'-P energy: -104.302
bonds (distance) P-C4' energy: -132.574
flat angles C4'-P-C4' energy: -142.265
flat angles P-C4'-P energy: -105.528
tors. eta vs tors. theta energy: -181.964
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: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2077.865926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.865926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.865926 (E_RNA)
where:
Base-Base interactions energy: -1435.475
where: short stacking energy: -618.267
Base-Backbone interact. energy: -3.471
local terms energy: -638.919754
where:
bonds (distance) C4'-P energy: -114.197
bonds (distance) P-C4' energy: -124.893
flat angles C4'-P-C4' energy: -139.007
flat angles P-C4'-P energy: -89.201
tors. eta vs tors. theta energy: -171.621
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: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2030.723134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.723134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.723134 (E_RNA)
where:
Base-Base interactions energy: -1349.218
where: short stacking energy: -562.798
Base-Backbone interact. energy: -2.711
local terms energy: -678.794445
where:
bonds (distance) C4'-P energy: -131.685
bonds (distance) P-C4' energy: -129.339
flat angles C4'-P-C4' energy: -158.930
flat angles P-C4'-P energy: -106.762
tors. eta vs tors. theta energy: -152.079
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: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1615.427697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.427697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.427697 (E_RNA)
where:
Base-Base interactions energy: -1034.289
where: short stacking energy: -462.033
Base-Backbone interact. energy: -4.270
local terms energy: -576.869549
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -129.636
flat angles C4'-P-C4' energy: -150.903
flat angles P-C4'-P energy: -100.219
tors. eta vs tors. theta energy: -95.761
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: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1047.146465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.146465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.146465 (E_RNA)
where:
Base-Base interactions energy: -567.655
where: short stacking energy: -266.332
Base-Backbone interact. energy: -2.785
local terms energy: -476.706286
where:
bonds (distance) C4'-P energy: -134.351
bonds (distance) P-C4' energy: -122.401
flat angles C4'-P-C4' energy: -109.950
flat angles P-C4'-P energy: -78.639
tors. eta vs tors. theta energy: -31.365
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: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -727.157685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.157685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.157685 (E_RNA)
where:
Base-Base interactions energy: -347.853
where: short stacking energy: -201.214
Base-Backbone interact. energy: 2.691
local terms energy: -381.996273
where:
bonds (distance) C4'-P energy: -83.490
bonds (distance) P-C4' energy: -115.079
flat angles C4'-P-C4' energy: -111.981
flat angles P-C4'-P energy: -79.839
tors. eta vs tors. theta energy: 8.394
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: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2579.869996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.869996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.869996 (E_RNA)
where:
Base-Base interactions energy: -1799.565
where: short stacking energy: -775.482
Base-Backbone interact. energy: -0.277
local terms energy: -780.028569
where:
bonds (distance) C4'-P energy: -147.610
bonds (distance) P-C4' energy: -132.084
flat angles C4'-P-C4' energy: -158.377
flat angles P-C4'-P energy: -118.711
tors. eta vs tors. theta energy: -223.246
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: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2466.981312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.981312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.981312 (E_RNA)
where:
Base-Base interactions energy: -1687.016
where: short stacking energy: -727.917
Base-Backbone interact. energy: -1.366
local terms energy: -778.599842
where:
bonds (distance) C4'-P energy: -138.000
bonds (distance) P-C4' energy: -147.750
flat angles C4'-P-C4' energy: -166.598
flat angles P-C4'-P energy: -107.301
tors. eta vs tors. theta energy: -218.951
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: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2384.267863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.267863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.267863 (E_RNA)
where:
Base-Base interactions energy: -1668.848
where: short stacking energy: -693.379
Base-Backbone interact. energy: -1.545
local terms energy: -713.874331
where:
bonds (distance) C4'-P energy: -117.771
bonds (distance) P-C4' energy: -146.402
flat angles C4'-P-C4' energy: -152.293
flat angles P-C4'-P energy: -105.925
tors. eta vs tors. theta energy: -191.483
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: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2316.234536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.234536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.234536 (E_RNA)
where:
Base-Base interactions energy: -1586.439
where: short stacking energy: -665.347
Base-Backbone interact. energy: 1.593
local terms energy: -731.388416
where:
bonds (distance) C4'-P energy: -136.113
bonds (distance) P-C4' energy: -138.899
flat angles C4'-P-C4' energy: -162.870
flat angles P-C4'-P energy: -104.354
tors. eta vs tors. theta energy: -189.153
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: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2133.556223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.556223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.556223 (E_RNA)
where:
Base-Base interactions energy: -1477.925
where: short stacking energy: -647.014
Base-Backbone interact. energy: -0.379
local terms energy: -655.252181
where:
bonds (distance) C4'-P energy: -119.578
bonds (distance) P-C4' energy: -119.385
flat angles C4'-P-C4' energy: -147.793
flat angles P-C4'-P energy: -93.636
tors. eta vs tors. theta energy: -174.861
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: 246
Temperature: 1.150000
Total energy: -2085.676722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.676722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.676722 (E_RNA)
where:
Base-Base interactions energy: -1477.775
where: short stacking energy: -624.663
Base-Backbone interact. energy: -2.524
local terms energy: -605.378548
where:
bonds (distance) C4'-P energy: -95.350
bonds (distance) P-C4' energy: -116.328
flat angles C4'-P-C4' energy: -152.158
flat angles P-C4'-P energy: -77.036
tors. eta vs tors. theta energy: -164.507
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: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1998.539448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.539448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.539448 (E_RNA)
where:
Base-Base interactions energy: -1386.797
where: short stacking energy: -589.922
Base-Backbone interact. energy: -3.601
local terms energy: -608.142105
where:
bonds (distance) C4'-P energy: -121.865
bonds (distance) P-C4' energy: -105.279
flat angles C4'-P-C4' energy: -132.640
flat angles P-C4'-P energy: -91.485
tors. eta vs tors. theta energy: -156.874
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: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1603.619536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.619536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.619536 (E_RNA)
where:
Base-Base interactions energy: -1069.929
where: short stacking energy: -480.019
Base-Backbone interact. energy: -1.222
local terms energy: -532.469086
where:
bonds (distance) C4'-P energy: -129.999
bonds (distance) P-C4' energy: -97.935
flat angles C4'-P-C4' energy: -124.739
flat angles P-C4'-P energy: -76.705
tors. eta vs tors. theta energy: -103.092
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: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1064.834259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.834259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.834259 (E_RNA)
where:
Base-Base interactions energy: -634.807
where: short stacking energy: -284.333
Base-Backbone interact. energy: 3.521
local terms energy: -433.548620
where:
bonds (distance) C4'-P energy: -105.256
bonds (distance) P-C4' energy: -131.127
flat angles C4'-P-C4' energy: -103.019
flat angles P-C4'-P energy: -75.546
tors. eta vs tors. theta energy: -18.601
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: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -717.506840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.506840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.506840 (E_RNA)
where:
Base-Base interactions energy: -302.257
where: short stacking energy: -199.853
Base-Backbone interact. energy: 2.852
local terms energy: -418.101803
where:
bonds (distance) C4'-P energy: -132.516
bonds (distance) P-C4' energy: -132.343
flat angles C4'-P-C4' energy: -100.671
flat angles P-C4'-P energy: -61.324
tors. eta vs tors. theta energy: 8.753
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: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2590.005576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.005576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.005576 (E_RNA)
where:
Base-Base interactions energy: -1798.779
where: short stacking energy: -772.673
Base-Backbone interact. energy: -4.124
local terms energy: -787.102564
where:
bonds (distance) C4'-P energy: -131.693
bonds (distance) P-C4' energy: -151.564
flat angles C4'-P-C4' energy: -167.971
flat angles P-C4'-P energy: -101.143
tors. eta vs tors. theta energy: -234.732
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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2506.646330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.646330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.646330 (E_RNA)
where:
Base-Base interactions energy: -1721.134
where: short stacking energy: -752.016
Base-Backbone interact. energy: -1.221
local terms energy: -784.291315
where:
bonds (distance) C4'-P energy: -149.024
bonds (distance) P-C4' energy: -154.242
flat angles C4'-P-C4' energy: -159.647
flat angles P-C4'-P energy: -104.797
tors. eta vs tors. theta energy: -216.583
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: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2364.597816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.597816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.597816 (E_RNA)
where:
Base-Base interactions energy: -1634.827
where: short stacking energy: -684.807
Base-Backbone interact. energy: 5.906
local terms energy: -735.677062
where:
bonds (distance) C4'-P energy: -111.608
bonds (distance) P-C4' energy: -154.573
flat angles C4'-P-C4' energy: -154.803
flat angles P-C4'-P energy: -106.059
tors. eta vs tors. theta energy: -208.634
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: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2296.456493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.456493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.456493 (E_RNA)
where:
Base-Base interactions energy: -1594.301
where: short stacking energy: -714.045
Base-Backbone interact. energy: -2.484
local terms energy: -699.671311
where:
bonds (distance) C4'-P energy: -129.665
bonds (distance) P-C4' energy: -121.017
flat angles C4'-P-C4' energy: -153.890
flat angles P-C4'-P energy: -96.351
tors. eta vs tors. theta energy: -198.749
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: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2182.193611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.193611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.193611 (E_RNA)
where:
Base-Base interactions energy: -1474.899
where: short stacking energy: -632.205
Base-Backbone interact. energy: -1.232
local terms energy: -706.063410
where:
bonds (distance) C4'-P energy: -135.626
bonds (distance) P-C4' energy: -139.021
flat angles C4'-P-C4' energy: -157.002
flat angles P-C4'-P energy: -95.870
tors. eta vs tors. theta energy: -178.544
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: 247
Temperature: 1.150000
Total energy: -2153.773693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.773693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.773693 (E_RNA)
where:
Base-Base interactions energy: -1497.624
where: short stacking energy: -635.639
Base-Backbone interact. energy: -2.511
local terms energy: -653.638756
where:
bonds (distance) C4'-P energy: -135.993
bonds (distance) P-C4' energy: -115.827
flat angles C4'-P-C4' energy: -136.350
flat angles P-C4'-P energy: -88.437
tors. eta vs tors. theta energy: -177.032
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: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2014.889481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.889481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.889481 (E_RNA)
where:
Base-Base interactions energy: -1370.415
where: short stacking energy: -583.577
Base-Backbone interact. energy: -2.030
local terms energy: -642.444284
where:
bonds (distance) C4'-P energy: -108.989
bonds (distance) P-C4' energy: -122.148
flat angles C4'-P-C4' energy: -158.479
flat angles P-C4'-P energy: -84.086
tors. eta vs tors. theta energy: -168.743
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: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1560.779352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.779352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.779352 (E_RNA)
where:
Base-Base interactions energy: -1023.137
where: short stacking energy: -458.346
Base-Backbone interact. energy: 0.472
local terms energy: -538.113685
where:
bonds (distance) C4'-P energy: -128.543
bonds (distance) P-C4' energy: -95.312
flat angles C4'-P-C4' energy: -130.288
flat angles P-C4'-P energy: -81.155
tors. eta vs tors. theta energy: -102.816
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: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1018.842242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.842242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.842242 (E_RNA)
where:
Base-Base interactions energy: -582.719
where: short stacking energy: -273.269
Base-Backbone interact. energy: -1.810
local terms energy: -434.313512
where:
bonds (distance) C4'-P energy: -108.036
bonds (distance) P-C4' energy: -122.817
flat angles C4'-P-C4' energy: -104.175
flat angles P-C4'-P energy: -81.337
tors. eta vs tors. theta energy: -17.948
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: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -708.599431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.599431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.599431 (E_RNA)
where:
Base-Base interactions energy: -301.303
where: short stacking energy: -175.137
Base-Backbone interact. energy: -1.376
local terms energy: -405.920729
where:
bonds (distance) C4'-P energy: -114.847
bonds (distance) P-C4' energy: -130.587
flat angles C4'-P-C4' energy: -117.423
flat angles P-C4'-P energy: -53.670
tors. eta vs tors. theta energy: 10.606
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: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2630.052957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.052957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.052957 (E_RNA)
where:
Base-Base interactions energy: -1838.582
where: short stacking energy: -778.490
Base-Backbone interact. energy: -0.732
local terms energy: -790.738830
where:
bonds (distance) C4'-P energy: -152.798
bonds (distance) P-C4' energy: -146.615
flat angles C4'-P-C4' energy: -163.826
flat angles P-C4'-P energy: -116.005
tors. eta vs tors. theta energy: -211.493
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: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2406.055894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.055894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.055894 (E_RNA)
where:
Base-Base interactions energy: -1648.488
where: short stacking energy: -684.163
Base-Backbone interact. energy: -2.844
local terms energy: -754.723402
where:
bonds (distance) C4'-P energy: -140.311
bonds (distance) P-C4' energy: -151.771
flat angles C4'-P-C4' energy: -158.806
flat angles P-C4'-P energy: -104.997
tors. eta vs tors. theta energy: -198.839
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: 248
Temperature: 1.000000
Total energy: -2352.907036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.907036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.907036 (E_RNA)
where:
Base-Base interactions energy: -1620.653
where: short stacking energy: -666.192
Base-Backbone interact. energy: -0.508
local terms energy: -731.745790
where:
bonds (distance) C4'-P energy: -137.271
bonds (distance) P-C4' energy: -141.683
flat angles C4'-P-C4' energy: -146.607
flat angles P-C4'-P energy: -117.388
tors. eta vs tors. theta energy: -188.797
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: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2293.216638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.216638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.216638 (E_RNA)
where:
Base-Base interactions energy: -1560.395
where: short stacking energy: -680.355
Base-Backbone interact. energy: -2.954
local terms energy: -729.867660
where:
bonds (distance) C4'-P energy: -132.154
bonds (distance) P-C4' energy: -137.335
flat angles C4'-P-C4' energy: -161.614
flat angles P-C4'-P energy: -107.297
tors. eta vs tors. theta energy: -191.468
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: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2175.739675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.739675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.739675 (E_RNA)
where:
Base-Base interactions energy: -1503.077
where: short stacking energy: -661.782
Base-Backbone interact. energy: -4.140
local terms energy: -668.523131
where:
bonds (distance) C4'-P energy: -126.977
bonds (distance) P-C4' energy: -135.164
flat angles C4'-P-C4' energy: -136.185
flat angles P-C4'-P energy: -92.763
tors. eta vs tors. theta energy: -177.434
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: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2125.704804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.704804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.704804 (E_RNA)
where:
Base-Base interactions energy: -1459.826
where: short stacking energy: -630.683
Base-Backbone interact. energy: -1.992
local terms energy: -663.886806
where:
bonds (distance) C4'-P energy: -119.431
bonds (distance) P-C4' energy: -130.394
flat angles C4'-P-C4' energy: -133.470
flat angles P-C4'-P energy: -96.298
tors. eta vs tors. theta energy: -184.294
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: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2025.586806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.586806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.586806 (E_RNA)
where:
Base-Base interactions energy: -1383.069
where: short stacking energy: -600.037
Base-Backbone interact. energy: -1.409
local terms energy: -641.109193
where:
bonds (distance) C4'-P energy: -120.514
bonds (distance) P-C4' energy: -112.760
flat angles C4'-P-C4' energy: -156.530
flat angles P-C4'-P energy: -88.387
tors. eta vs tors. theta energy: -162.918
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: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1636.930923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.930923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.930923 (E_RNA)
where:
Base-Base interactions energy: -1092.478
where: short stacking energy: -494.820
Base-Backbone interact. energy: -0.833
local terms energy: -543.620529
where:
bonds (distance) C4'-P energy: -93.989
bonds (distance) P-C4' energy: -116.111
flat angles C4'-P-C4' energy: -138.266
flat angles P-C4'-P energy: -79.960
tors. eta vs tors. theta energy: -115.294
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: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1039.232472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.232472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.232472 (E_RNA)
where:
Base-Base interactions energy: -589.587
where: short stacking energy: -284.693
Base-Backbone interact. energy: 2.380
local terms energy: -452.025699
where:
bonds (distance) C4'-P energy: -118.359
bonds (distance) P-C4' energy: -122.990
flat angles C4'-P-C4' energy: -102.388
flat angles P-C4'-P energy: -79.423
tors. eta vs tors. theta energy: -28.867
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: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -691.635276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.635276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.635276 (E_RNA)
where:
Base-Base interactions energy: -295.980
where: short stacking energy: -207.289
Base-Backbone interact. energy: -0.599
local terms energy: -395.056419
where:
bonds (distance) C4'-P energy: -131.732
bonds (distance) P-C4' energy: -114.927
flat angles C4'-P-C4' energy: -97.691
flat angles P-C4'-P energy: -34.525
tors. eta vs tors. theta energy: -16.181
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: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2587.021094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.021094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.021094 (E_RNA)
where:
Base-Base interactions energy: -1797.878
where: short stacking energy: -770.658
Base-Backbone interact. energy: 0.451
local terms energy: -789.594162
where:
bonds (distance) C4'-P energy: -140.212
bonds (distance) P-C4' energy: -154.912
flat angles C4'-P-C4' energy: -168.357
flat angles P-C4'-P energy: -107.260
tors. eta vs tors. theta energy: -218.853
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: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2467.048774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.048774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.048774 (E_RNA)
where:
Base-Base interactions energy: -1676.481
where: short stacking energy: -750.451
Base-Backbone interact. energy: -3.351
local terms energy: -787.217107
where:
bonds (distance) C4'-P energy: -141.354
bonds (distance) P-C4' energy: -143.938
flat angles C4'-P-C4' energy: -167.258
flat angles P-C4'-P energy: -123.333
tors. eta vs tors. theta energy: -211.334
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: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2387.348380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.348380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.348380 (E_RNA)
where:
Base-Base interactions energy: -1646.995
where: short stacking energy: -678.171
Base-Backbone interact. energy: -2.350
local terms energy: -738.003394
where:
bonds (distance) C4'-P energy: -131.359
bonds (distance) P-C4' energy: -143.508
flat angles C4'-P-C4' energy: -159.490
flat angles P-C4'-P energy: -96.709
tors. eta vs tors. theta energy: -206.937
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: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2295.007629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.007629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.007629 (E_RNA)
where:
Base-Base interactions energy: -1585.090
where: short stacking energy: -686.022
Base-Backbone interact. energy: -4.905
local terms energy: -705.012730
where:
bonds (distance) C4'-P energy: -121.670
bonds (distance) P-C4' energy: -144.076
flat angles C4'-P-C4' energy: -150.000
flat angles P-C4'-P energy: -100.180
tors. eta vs tors. theta energy: -189.087
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: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2155.479582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.479582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.479582 (E_RNA)
where:
Base-Base interactions energy: -1496.031
where: short stacking energy: -639.927
Base-Backbone interact. energy: 0.357
local terms energy: -659.805467
where:
bonds (distance) C4'-P energy: -112.767
bonds (distance) P-C4' energy: -138.621
flat angles C4'-P-C4' energy: -143.629
flat angles P-C4'-P energy: -80.928
tors. eta vs tors. theta energy: -183.860
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: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2100.202948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.202948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.202948 (E_RNA)
where:
Base-Base interactions energy: -1410.987
where: short stacking energy: -602.777
Base-Backbone interact. energy: -0.005
local terms energy: -689.211133
where:
bonds (distance) C4'-P energy: -124.743
bonds (distance) P-C4' energy: -136.404
flat angles C4'-P-C4' energy: -148.688
flat angles P-C4'-P energy: -99.912
tors. eta vs tors. theta energy: -179.464
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: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1946.250847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.250847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.250847 (E_RNA)
where:
Base-Base interactions energy: -1370.889
where: short stacking energy: -586.988
Base-Backbone interact. energy: 4.658
local terms energy: -580.019767
where:
bonds (distance) C4'-P energy: -91.490
bonds (distance) P-C4' energy: -118.795
flat angles C4'-P-C4' energy: -139.372
flat angles P-C4'-P energy: -81.925
tors. eta vs tors. theta energy: -148.437
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: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1649.320165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.320165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.320165 (E_RNA)
where:
Base-Base interactions energy: -1089.184
where: short stacking energy: -470.603
Base-Backbone interact. energy: -3.892
local terms energy: -556.244647
where:
bonds (distance) C4'-P energy: -117.281
bonds (distance) P-C4' energy: -117.328
flat angles C4'-P-C4' energy: -142.207
flat angles P-C4'-P energy: -70.151
tors. eta vs tors. theta energy: -109.278
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: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1022.576800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.576800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.576800 (E_RNA)
where:
Base-Base interactions energy: -591.527
where: short stacking energy: -300.191
Base-Backbone interact. energy: -3.035
local terms energy: -428.014415
where:
bonds (distance) C4'-P energy: -109.631
bonds (distance) P-C4' energy: -126.159
flat angles C4'-P-C4' energy: -116.136
flat angles P-C4'-P energy: -55.809
tors. eta vs tors. theta energy: -20.279
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: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -712.136499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.136499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.136499 (E_RNA)
where:
Base-Base interactions energy: -366.724
where: short stacking energy: -247.031
Base-Backbone interact. energy: 6.169
local terms energy: -351.581659
where:
bonds (distance) C4'-P energy: -101.554
bonds (distance) P-C4' energy: -119.230
flat angles C4'-P-C4' energy: -79.217
flat angles P-C4'-P energy: -56.015
tors. eta vs tors. theta energy: 4.435
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: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2598.572981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.572981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.572981 (E_RNA)
where:
Base-Base interactions energy: -1810.221
where: short stacking energy: -747.576
Base-Backbone interact. energy: -5.374
local terms energy: -782.977756
where:
bonds (distance) C4'-P energy: -141.597
bonds (distance) P-C4' energy: -150.717
flat angles C4'-P-C4' energy: -161.614
flat angles P-C4'-P energy: -122.467
tors. eta vs tors. theta energy: -206.582
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: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2521.737335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.737335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.737335 (E_RNA)
where:
Base-Base interactions energy: -1743.844
where: short stacking energy: -727.855
Base-Backbone interact. energy: -2.409
local terms energy: -775.484214
where:
bonds (distance) C4'-P energy: -138.168
bonds (distance) P-C4' energy: -145.867
flat angles C4'-P-C4' energy: -168.661
flat angles P-C4'-P energy: -115.398
tors. eta vs tors. theta energy: -207.391
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: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2382.370916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.370916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.370916 (E_RNA)
where:
Base-Base interactions energy: -1648.247
where: short stacking energy: -705.985
Base-Backbone interact. energy: -1.427
local terms energy: -732.696574
where:
bonds (distance) C4'-P energy: -152.727
bonds (distance) P-C4' energy: -132.276
flat angles C4'-P-C4' energy: -157.821
flat angles P-C4'-P energy: -98.171
tors. eta vs tors. theta energy: -191.701
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: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2321.493674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.493674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.493674 (E_RNA)
where:
Base-Base interactions energy: -1623.939
where: short stacking energy: -681.893
Base-Backbone interact. energy: 3.670
local terms energy: -701.225195
where:
bonds (distance) C4'-P energy: -142.104
bonds (distance) P-C4' energy: -132.692
flat angles C4'-P-C4' energy: -160.804
flat angles P-C4'-P energy: -93.227
tors. eta vs tors. theta energy: -172.399
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: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2184.448643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.448643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.448643 (E_RNA)
where:
Base-Base interactions energy: -1493.273
where: short stacking energy: -639.846
Base-Backbone interact. energy: -3.329
local terms energy: -687.846616
where:
bonds (distance) C4'-P energy: -139.182
bonds (distance) P-C4' energy: -121.092
flat angles C4'-P-C4' energy: -155.971
flat angles P-C4'-P energy: -90.828
tors. eta vs tors. theta energy: -180.774
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: 250
Temperature: 1.150000
Total energy: -2123.004589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.004589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.004589 (E_RNA)
where:
Base-Base interactions energy: -1482.705
where: short stacking energy: -629.669
Base-Backbone interact. energy: -0.370
local terms energy: -639.930312
where:
bonds (distance) C4'-P energy: -112.775
bonds (distance) P-C4' energy: -123.951
flat angles C4'-P-C4' energy: -141.805
flat angles P-C4'-P energy: -93.115
tors. eta vs tors. theta energy: -168.284
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: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2027.196002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.196002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.196002 (E_RNA)
where:
Base-Base interactions energy: -1358.606
where: short stacking energy: -573.009
Base-Backbone interact. energy: -2.054
local terms energy: -666.536434
where:
bonds (distance) C4'-P energy: -121.126
bonds (distance) P-C4' energy: -139.025
flat angles C4'-P-C4' energy: -148.026
flat angles P-C4'-P energy: -94.627
tors. eta vs tors. theta energy: -163.732
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: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1616.038118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.038118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.038118 (E_RNA)
where:
Base-Base interactions energy: -1064.013
where: short stacking energy: -468.165
Base-Backbone interact. energy: -2.165
local terms energy: -549.860483
where:
bonds (distance) C4'-P energy: -119.817
bonds (distance) P-C4' energy: -100.102
flat angles C4'-P-C4' energy: -130.800
flat angles P-C4'-P energy: -94.299
tors. eta vs tors. theta energy: -104.843
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: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -940.283275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.283275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.283275 (E_RNA)
where:
Base-Base interactions energy: -504.078
where: short stacking energy: -256.243
Base-Backbone interact. energy: -0.102
local terms energy: -436.103769
where:
bonds (distance) C4'-P energy: -106.858
bonds (distance) P-C4' energy: -112.112
flat angles C4'-P-C4' energy: -110.623
flat angles P-C4'-P energy: -80.052
tors. eta vs tors. theta energy: -26.459
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: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -702.321660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.321660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.321660 (E_RNA)
where:
Base-Base interactions energy: -292.412
where: short stacking energy: -194.310
Base-Backbone interact. energy: -2.934
local terms energy: -406.975933
where:
bonds (distance) C4'-P energy: -132.059
bonds (distance) P-C4' energy: -127.532
flat angles C4'-P-C4' energy: -81.443
flat angles P-C4'-P energy: -63.584
tors. eta vs tors. theta energy: -2.358
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: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2588.252786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.252786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.252786 (E_RNA)
where:
Base-Base interactions energy: -1804.275
where: short stacking energy: -754.433
Base-Backbone interact. energy: -1.468
local terms energy: -782.509817
where:
bonds (distance) C4'-P energy: -142.500
bonds (distance) P-C4' energy: -137.521
flat angles C4'-P-C4' energy: -172.907
flat angles P-C4'-P energy: -107.973
tors. eta vs tors. theta energy: -221.609
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: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2539.824702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.824702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.824702 (E_RNA)
where:
Base-Base interactions energy: -1755.387
where: short stacking energy: -752.902
Base-Backbone interact. energy: -1.810
local terms energy: -782.628011
where:
bonds (distance) C4'-P energy: -152.095
bonds (distance) P-C4' energy: -145.380
flat angles C4'-P-C4' energy: -173.821
flat angles P-C4'-P energy: -109.326
tors. eta vs tors. theta energy: -202.006
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: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2376.178890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.178890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.178890 (E_RNA)
where:
Base-Base interactions energy: -1620.133
where: short stacking energy: -678.483
Base-Backbone interact. energy: -1.406
local terms energy: -754.640731
where:
bonds (distance) C4'-P energy: -153.230
bonds (distance) P-C4' energy: -137.966
flat angles C4'-P-C4' energy: -161.491
flat angles P-C4'-P energy: -106.464
tors. eta vs tors. theta energy: -195.490
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: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2338.444588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.444588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.444588 (E_RNA)
where:
Base-Base interactions energy: -1618.038
where: short stacking energy: -696.588
Base-Backbone interact. energy: 1.224
local terms energy: -721.630982
where:
bonds (distance) C4'-P energy: -125.826
bonds (distance) P-C4' energy: -135.759
flat angles C4'-P-C4' energy: -149.376
flat angles P-C4'-P energy: -111.908
tors. eta vs tors. theta energy: -198.763
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: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2208.944148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.944148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.944148 (E_RNA)
where:
Base-Base interactions energy: -1492.316
where: short stacking energy: -639.963
Base-Backbone interact. energy: -0.784
local terms energy: -715.844565
where:
bonds (distance) C4'-P energy: -120.494
bonds (distance) P-C4' energy: -142.926
flat angles C4'-P-C4' energy: -146.647
flat angles P-C4'-P energy: -103.223
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: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2103.022555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.022555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.022555 (E_RNA)
where:
Base-Base interactions energy: -1442.259
where: short stacking energy: -617.611
Base-Backbone interact. energy: -1.766
local terms energy: -658.997310
where:
bonds (distance) C4'-P energy: -122.046
bonds (distance) P-C4' energy: -130.458
flat angles C4'-P-C4' energy: -138.331
flat angles P-C4'-P energy: -90.060
tors. eta vs tors. theta energy: -178.102
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: 251
Temperature: 1.200000
Total energy: -2002.633625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.633625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.633625 (E_RNA)
where:
Base-Base interactions energy: -1377.349
where: short stacking energy: -595.895
Base-Backbone interact. energy: 4.306
local terms energy: -629.590603
where:
bonds (distance) C4'-P energy: -111.664
bonds (distance) P-C4' energy: -124.399
flat angles C4'-P-C4' energy: -148.925
flat angles P-C4'-P energy: -93.188
tors. eta vs tors. theta energy: -151.415
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: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1573.875022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.875022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.875022 (E_RNA)
where:
Base-Base interactions energy: -1006.330
where: short stacking energy: -456.843
Base-Backbone interact. energy: -4.653
local terms energy: -562.892325
where:
bonds (distance) C4'-P energy: -130.395
bonds (distance) P-C4' energy: -122.173
flat angles C4'-P-C4' energy: -124.697
flat angles P-C4'-P energy: -84.043
tors. eta vs tors. theta energy: -101.584
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: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -942.920384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.920384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.920384 (E_RNA)
where:
Base-Base interactions energy: -501.296
where: short stacking energy: -234.919
Base-Backbone interact. energy: 4.568
local terms energy: -446.191843
where:
bonds (distance) C4'-P energy: -127.097
bonds (distance) P-C4' energy: -134.591
flat angles C4'-P-C4' energy: -115.152
flat angles P-C4'-P energy: -64.268
tors. eta vs tors. theta energy: -5.084
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: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -688.505156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.505156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.505156 (E_RNA)
where:
Base-Base interactions energy: -296.687
where: short stacking energy: -199.326
Base-Backbone interact. energy: 1.957
local terms energy: -393.775729
where:
bonds (distance) C4'-P energy: -91.375
bonds (distance) P-C4' energy: -123.851
flat angles C4'-P-C4' energy: -120.776
flat angles P-C4'-P energy: -65.535
tors. eta vs tors. theta energy: 7.761
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: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2602.573392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.573392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.573392 (E_RNA)
where:
Base-Base interactions energy: -1800.389
where: short stacking energy: -751.950
Base-Backbone interact. energy: -5.850
local terms energy: -796.334348
where:
bonds (distance) C4'-P energy: -155.316
bonds (distance) P-C4' energy: -138.770
flat angles C4'-P-C4' energy: -163.523
flat angles P-C4'-P energy: -110.283
tors. eta vs tors. theta energy: -228.442
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: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2517.204370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.204370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.204370 (E_RNA)
where:
Base-Base interactions energy: -1734.573
where: short stacking energy: -715.049
Base-Backbone interact. energy: -6.330
local terms energy: -776.301024
where:
bonds (distance) C4'-P energy: -137.947
bonds (distance) P-C4' energy: -143.877
flat angles C4'-P-C4' energy: -166.201
flat angles P-C4'-P energy: -122.097
tors. eta vs tors. theta energy: -206.179
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: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2364.923835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.923835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.923835 (E_RNA)
where:
Base-Base interactions energy: -1630.377
where: short stacking energy: -706.139
Base-Backbone interact. energy: 1.065
local terms energy: -735.611529
where:
bonds (distance) C4'-P energy: -146.577
bonds (distance) P-C4' energy: -129.018
flat angles C4'-P-C4' energy: -149.978
flat angles P-C4'-P energy: -109.882
tors. eta vs tors. theta energy: -200.156
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: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2318.805714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.805714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.805714 (E_RNA)
where:
Base-Base interactions energy: -1605.110
where: short stacking energy: -694.789
Base-Backbone interact. energy: -2.481
local terms energy: -711.214672
where:
bonds (distance) C4'-P energy: -125.041
bonds (distance) P-C4' energy: -129.490
flat angles C4'-P-C4' energy: -156.840
flat angles P-C4'-P energy: -97.149
tors. eta vs tors. theta energy: -202.694
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: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2229.516382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.516382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.516382 (E_RNA)
where:
Base-Base interactions energy: -1527.961
where: short stacking energy: -639.933
Base-Backbone interact. energy: -2.354
local terms energy: -699.201923
where:
bonds (distance) C4'-P energy: -132.150
bonds (distance) P-C4' energy: -140.871
flat angles C4'-P-C4' energy: -151.214
flat angles P-C4'-P energy: -87.968
tors. eta vs tors. theta energy: -186.999
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: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2096.811945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.811945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.811945 (E_RNA)
where:
Base-Base interactions energy: -1421.641
where: short stacking energy: -599.753
Base-Backbone interact. energy: -1.469
local terms energy: -673.701467
where:
bonds (distance) C4'-P energy: -115.218
bonds (distance) P-C4' energy: -136.886
flat angles C4'-P-C4' energy: -141.001
flat angles P-C4'-P energy: -116.704
tors. eta vs tors. theta energy: -163.892
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: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2037.998759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.998759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.998759 (E_RNA)
where:
Base-Base interactions energy: -1389.085
where: short stacking energy: -607.335
Base-Backbone interact. energy: -0.052
local terms energy: -648.861913
where:
bonds (distance) C4'-P energy: -122.848
bonds (distance) P-C4' energy: -106.644
flat angles C4'-P-C4' energy: -155.142
flat angles P-C4'-P energy: -97.665
tors. eta vs tors. theta energy: -166.564
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: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1532.127435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.127435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.127435 (E_RNA)
where:
Base-Base interactions energy: -1005.535
where: short stacking energy: -436.903
Base-Backbone interact. energy: -2.988
local terms energy: -523.604268
where:
bonds (distance) C4'-P energy: -120.957
bonds (distance) P-C4' energy: -112.191
flat angles C4'-P-C4' energy: -107.753
flat angles P-C4'-P energy: -88.224
tors. eta vs tors. theta energy: -94.479
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: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -927.888867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.888867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.888867 (E_RNA)
where:
Base-Base interactions energy: -477.876
where: short stacking energy: -262.922
Base-Backbone interact. energy: 5.561
local terms energy: -455.573594
where:
bonds (distance) C4'-P energy: -119.901
bonds (distance) P-C4' energy: -137.818
flat angles C4'-P-C4' energy: -121.607
flat angles P-C4'-P energy: -59.733
tors. eta vs tors. theta energy: -16.514
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: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -681.665694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.665694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.665694 (E_RNA)
where:
Base-Base interactions energy: -316.087
where: short stacking energy: -215.009
Base-Backbone interact. energy: 3.845
local terms energy: -369.424232
where:
bonds (distance) C4'-P energy: -106.628
bonds (distance) P-C4' energy: -126.115
flat angles C4'-P-C4' energy: -100.697
flat angles P-C4'-P energy: -33.983
tors. eta vs tors. theta energy: -2.002
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: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2581.597320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.597320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.597320 (E_RNA)
where:
Base-Base interactions energy: -1786.567
where: short stacking energy: -759.734
Base-Backbone interact. energy: -2.408
local terms energy: -792.622197
where:
bonds (distance) C4'-P energy: -150.979
bonds (distance) P-C4' energy: -148.747
flat angles C4'-P-C4' energy: -167.431
flat angles P-C4'-P energy: -109.354
tors. eta vs tors. theta energy: -216.111
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: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2509.907912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.907912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.907912 (E_RNA)
where:
Base-Base interactions energy: -1741.838
where: short stacking energy: -753.837
Base-Backbone interact. energy: 1.826
local terms energy: -769.896327
where:
bonds (distance) C4'-P energy: -141.084
bonds (distance) P-C4' energy: -137.906
flat angles C4'-P-C4' energy: -159.986
flat angles P-C4'-P energy: -113.623
tors. eta vs tors. theta energy: -217.297
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: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2395.621258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.621258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.621258 (E_RNA)
where:
Base-Base interactions energy: -1638.831
where: short stacking energy: -704.779
Base-Backbone interact. energy: -0.799
local terms energy: -755.991645
where:
bonds (distance) C4'-P energy: -136.946
bonds (distance) P-C4' energy: -137.816
flat angles C4'-P-C4' energy: -172.175
flat angles P-C4'-P energy: -92.370
tors. eta vs tors. theta energy: -216.685
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2310.800208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.800208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.800208 (E_RNA)
where:
Base-Base interactions energy: -1598.197
where: short stacking energy: -712.804
Base-Backbone interact. energy: -4.578
local terms energy: -708.024865
where:
bonds (distance) C4'-P energy: -137.607
bonds (distance) P-C4' energy: -128.271
flat angles C4'-P-C4' energy: -153.974
flat angles P-C4'-P energy: -98.405
tors. eta vs tors. theta energy: -189.767
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: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2232.525099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.525099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.525099 (E_RNA)
where:
Base-Base interactions energy: -1500.848
where: short stacking energy: -650.195
Base-Backbone interact. energy: -3.343
local terms energy: -728.333938
where:
bonds (distance) C4'-P energy: -140.094
bonds (distance) P-C4' energy: -129.472
flat angles C4'-P-C4' energy: -163.943
flat angles P-C4'-P energy: -108.296
tors. eta vs tors. theta energy: -186.528
Dist. restrs. and SS energy: 0.000 (S_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: 253
Temperature: 1.150000
Total energy: -2097.774928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.774928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.774928 (E_RNA)
where:
Base-Base interactions energy: -1443.677
where: short stacking energy: -612.119
Base-Backbone interact. energy: -1.345
local terms energy: -652.752730
where:
bonds (distance) C4'-P energy: -121.636
bonds (distance) P-C4' energy: -120.850
flat angles C4'-P-C4' energy: -158.926
flat angles P-C4'-P energy: -91.672
tors. eta vs tors. theta energy: -159.668
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: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1996.742633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.742633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.742633 (E_RNA)
where:
Base-Base interactions energy: -1369.270
where: short stacking energy: -599.408
Base-Backbone interact. energy: -2.109
local terms energy: -625.363508
where:
bonds (distance) C4'-P energy: -125.629
bonds (distance) P-C4' energy: -112.618
flat angles C4'-P-C4' energy: -140.758
flat angles P-C4'-P energy: -85.619
tors. eta vs tors. theta energy: -160.740
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: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1495.499485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.499485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.499485 (E_RNA)
where:
Base-Base interactions energy: -984.766
where: short stacking energy: -434.768
Base-Backbone interact. energy: -1.372
local terms energy: -509.361235
where:
bonds (distance) C4'-P energy: -119.269
bonds (distance) P-C4' energy: -132.298
flat angles C4'-P-C4' energy: -114.489
flat angles P-C4'-P energy: -58.828
tors. eta vs tors. theta energy: -84.476
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: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -922.570106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.570106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.570106 (E_RNA)
where:
Base-Base interactions energy: -481.610
where: short stacking energy: -252.148
Base-Backbone interact. energy: 3.082
local terms energy: -444.042038
where:
bonds (distance) C4'-P energy: -116.169
bonds (distance) P-C4' energy: -135.365
flat angles C4'-P-C4' energy: -106.181
flat angles P-C4'-P energy: -71.423
tors. eta vs tors. theta energy: -14.904
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: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -685.197704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.197704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.197704 (E_RNA)
where:
Base-Base interactions energy: -306.202
where: short stacking energy: -208.149
Base-Backbone interact. energy: -1.749
local terms energy: -377.246797
where:
bonds (distance) C4'-P energy: -123.622
bonds (distance) P-C4' energy: -105.944
flat angles C4'-P-C4' energy: -103.017
flat angles P-C4'-P energy: -46.204
tors. eta vs tors. theta energy: 1.540
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: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2570.091650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.091650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.091650 (E_RNA)
where:
Base-Base interactions energy: -1782.502
where: short stacking energy: -750.871
Base-Backbone interact. energy: -6.953
local terms energy: -780.636434
where:
bonds (distance) C4'-P energy: -153.223
bonds (distance) P-C4' energy: -149.905
flat angles C4'-P-C4' energy: -161.131
flat angles P-C4'-P energy: -96.194
tors. eta vs tors. theta energy: -220.183
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: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2497.691536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.691536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.691536 (E_RNA)
where:
Base-Base interactions energy: -1727.709
where: short stacking energy: -702.211
Base-Backbone interact. energy: -2.704
local terms energy: -767.278504
where:
bonds (distance) C4'-P energy: -151.913
bonds (distance) P-C4' energy: -145.082
flat angles C4'-P-C4' energy: -156.775
flat angles P-C4'-P energy: -113.058
tors. eta vs tors. theta energy: -200.451
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2394.361697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.361697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.361697 (E_RNA)
where:
Base-Base interactions energy: -1648.073
where: short stacking energy: -731.252
Base-Backbone interact. energy: -0.359
local terms energy: -745.930087
where:
bonds (distance) C4'-P energy: -118.303
bonds (distance) P-C4' energy: -127.165
flat angles C4'-P-C4' energy: -173.303
flat angles P-C4'-P energy: -104.757
tors. eta vs tors. theta energy: -222.403
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: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2297.859769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.859769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.859769 (E_RNA)
where:
Base-Base interactions energy: -1579.397
where: short stacking energy: -659.801
Base-Backbone interact. energy: -1.828
local terms energy: -716.634786
where:
bonds (distance) C4'-P energy: -141.878
bonds (distance) P-C4' energy: -144.796
flat angles C4'-P-C4' energy: -150.548
flat angles P-C4'-P energy: -84.550
tors. eta vs tors. theta energy: -194.862
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: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2214.644188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.644188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.644188 (E_RNA)
where:
Base-Base interactions energy: -1538.970
where: short stacking energy: -678.729
Base-Backbone interact. energy: -4.238
local terms energy: -671.436769
where:
bonds (distance) C4'-P energy: -132.221
bonds (distance) P-C4' energy: -124.847
flat angles C4'-P-C4' energy: -141.156
flat angles P-C4'-P energy: -89.095
tors. eta vs tors. theta energy: -184.119
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: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2088.340556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.340556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.340556 (E_RNA)
where:
Base-Base interactions energy: -1439.574
where: short stacking energy: -602.679
Base-Backbone interact. energy: -0.246
local terms energy: -648.520457
where:
bonds (distance) C4'-P energy: -115.701
bonds (distance) P-C4' energy: -129.358
flat angles C4'-P-C4' energy: -141.748
flat angles P-C4'-P energy: -90.631
tors. eta vs tors. theta energy: -171.083
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: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1953.983216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.983216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.983216 (E_RNA)
where:
Base-Base interactions energy: -1304.049
where: short stacking energy: -545.379
Base-Backbone interact. energy: -3.332
local terms energy: -646.602621
where:
bonds (distance) C4'-P energy: -131.713
bonds (distance) P-C4' energy: -137.670
flat angles C4'-P-C4' energy: -131.203
flat angles P-C4'-P energy: -88.933
tors. eta vs tors. theta energy: -157.083
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: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1480.666507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.666507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.666507 (E_RNA)
where:
Base-Base interactions energy: -925.386
where: short stacking energy: -410.940
Base-Backbone interact. energy: -3.381
local terms energy: -551.899863
where:
bonds (distance) C4'-P energy: -131.611
bonds (distance) P-C4' energy: -118.704
flat angles C4'-P-C4' energy: -140.276
flat angles P-C4'-P energy: -79.191
tors. eta vs tors. theta energy: -82.117
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: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -884.418519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.418519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.418519 (E_RNA)
where:
Base-Base interactions energy: -480.985
where: short stacking energy: -273.750
Base-Backbone interact. energy: 1.576
local terms energy: -405.009721
where:
bonds (distance) C4'-P energy: -107.658
bonds (distance) P-C4' energy: -120.415
flat angles C4'-P-C4' energy: -101.886
flat angles P-C4'-P energy: -68.059
tors. eta vs tors. theta energy: -6.991
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: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -695.670410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.670410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.670410 (E_RNA)
where:
Base-Base interactions energy: -325.401
where: short stacking energy: -206.554
Base-Backbone interact. energy: -2.742
local terms energy: -367.527637
where:
bonds (distance) C4'-P energy: -98.862
bonds (distance) P-C4' energy: -114.902
flat angles C4'-P-C4' energy: -93.827
flat angles P-C4'-P energy: -54.223
tors. eta vs tors. theta energy: -5.714
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: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2613.289453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.289453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.289453 (E_RNA)
where:
Base-Base interactions energy: -1811.072
where: short stacking energy: -764.200
Base-Backbone interact. energy: -5.327
local terms energy: -796.890762
where:
bonds (distance) C4'-P energy: -141.048
bonds (distance) P-C4' energy: -146.335
flat angles C4'-P-C4' energy: -169.672
flat angles P-C4'-P energy: -115.553
tors. eta vs tors. theta energy: -224.282
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: 255
Temperature: 0.950000
Total energy: -2518.974153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.974153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.974153 (E_RNA)
where:
Base-Base interactions energy: -1757.562
where: short stacking energy: -729.265
Base-Backbone interact. energy: -3.588
local terms energy: -757.824360
where:
bonds (distance) C4'-P energy: -143.926
bonds (distance) P-C4' energy: -138.064
flat angles C4'-P-C4' energy: -167.957
flat angles P-C4'-P energy: -108.763
tors. eta vs tors. theta energy: -199.115
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: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2375.342413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.342413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.342413 (E_RNA)
where:
Base-Base interactions energy: -1629.453
where: short stacking energy: -731.837
Base-Backbone interact. energy: -3.101
local terms energy: -742.788061
where:
bonds (distance) C4'-P energy: -135.769
bonds (distance) P-C4' energy: -145.112
flat angles C4'-P-C4' energy: -162.544
flat angles P-C4'-P energy: -102.353
tors. eta vs tors. theta energy: -197.010
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2291.957728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.957728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.957728 (E_RNA)
where:
Base-Base interactions energy: -1584.616
where: short stacking energy: -693.250
Base-Backbone interact. energy: -1.161
local terms energy: -706.180915
where:
bonds (distance) C4'-P energy: -131.637
bonds (distance) P-C4' energy: -126.298
flat angles C4'-P-C4' energy: -154.729
flat angles P-C4'-P energy: -90.803
tors. eta vs tors. theta energy: -202.714
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: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2217.178221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.178221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.178221 (E_RNA)
where:
Base-Base interactions energy: -1535.795
where: short stacking energy: -655.389
Base-Backbone interact. energy: -3.642
local terms energy: -677.741185
where:
bonds (distance) C4'-P energy: -135.199
bonds (distance) P-C4' energy: -101.878
flat angles C4'-P-C4' energy: -151.213
flat angles P-C4'-P energy: -96.383
tors. eta vs tors. theta energy: -193.068
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: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2056.932960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.932960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.932960 (E_RNA)
where:
Base-Base interactions energy: -1395.011
where: short stacking energy: -594.698
Base-Backbone interact. energy: -4.883
local terms energy: -657.039227
where:
bonds (distance) C4'-P energy: -127.865
bonds (distance) P-C4' energy: -125.286
flat angles C4'-P-C4' energy: -136.552
flat angles P-C4'-P energy: -93.064
tors. eta vs tors. theta energy: -174.272
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: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1933.666714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.666714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.666714 (E_RNA)
where:
Base-Base interactions energy: -1330.801
where: short stacking energy: -561.990
Base-Backbone interact. energy: -0.305
local terms energy: -602.561197
where:
bonds (distance) C4'-P energy: -127.060
bonds (distance) P-C4' energy: -131.154
flat angles C4'-P-C4' energy: -129.724
flat angles P-C4'-P energy: -72.988
tors. eta vs tors. theta energy: -141.635
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: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1571.432609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.432609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.432609 (E_RNA)
where:
Base-Base interactions energy: -1016.255
where: short stacking energy: -492.897
Base-Backbone interact. energy: -1.637
local terms energy: -553.540726
where:
bonds (distance) C4'-P energy: -124.387
bonds (distance) P-C4' energy: -94.163
flat angles C4'-P-C4' energy: -126.112
flat angles P-C4'-P energy: -82.257
tors. eta vs tors. theta energy: -126.622
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: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -951.340160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.340160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.340160 (E_RNA)
where:
Base-Base interactions energy: -514.754
where: short stacking energy: -278.274
Base-Backbone interact. energy: -5.141
local terms energy: -431.444648
where:
bonds (distance) C4'-P energy: -106.492
bonds (distance) P-C4' energy: -148.285
flat angles C4'-P-C4' energy: -102.783
flat angles P-C4'-P energy: -61.891
tors. eta vs tors. theta energy: -11.994
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: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -699.507332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.507332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.507332 (E_RNA)
where:
Base-Base interactions energy: -323.089
where: short stacking energy: -195.972
Base-Backbone interact. energy: -0.790
local terms energy: -375.628233
where:
bonds (distance) C4'-P energy: -116.068
bonds (distance) P-C4' energy: -127.017
flat angles C4'-P-C4' energy: -97.383
flat angles P-C4'-P energy: -58.186
tors. eta vs tors. theta energy: 23.025
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: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2615.301433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.301433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.301433 (E_RNA)
where:
Base-Base interactions energy: -1810.794
where: short stacking energy: -755.345
Base-Backbone interact. energy: -4.816
local terms energy: -799.691026
where:
bonds (distance) C4'-P energy: -139.530
bonds (distance) P-C4' energy: -146.969
flat angles C4'-P-C4' energy: -167.735
flat angles P-C4'-P energy: -123.617
tors. eta vs tors. theta energy: -221.841
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: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2542.025887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.025887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.025887 (E_RNA)
where:
Base-Base interactions energy: -1789.675
where: short stacking energy: -750.496
Base-Backbone interact. energy: -3.525
local terms energy: -748.825983
where:
bonds (distance) C4'-P energy: -134.332
bonds (distance) P-C4' energy: -133.202
flat angles C4'-P-C4' energy: -169.718
flat angles P-C4'-P energy: -108.925
tors. eta vs tors. theta energy: -202.650
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: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2388.097114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.097114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.097114 (E_RNA)
where:
Base-Base interactions energy: -1638.877
where: short stacking energy: -725.568
Base-Backbone interact. energy: -3.967
local terms energy: -745.253059
where:
bonds (distance) C4'-P energy: -127.013
bonds (distance) P-C4' energy: -130.192
flat angles C4'-P-C4' energy: -172.866
flat angles P-C4'-P energy: -101.105
tors. eta vs tors. theta energy: -214.077
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: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2280.162856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.162856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.162856 (E_RNA)
where:
Base-Base interactions energy: -1528.880
where: short stacking energy: -648.874
Base-Backbone interact. energy: 0.963
local terms energy: -752.246474
where:
bonds (distance) C4'-P energy: -149.727
bonds (distance) P-C4' energy: -136.756
flat angles C4'-P-C4' energy: -163.378
flat angles P-C4'-P energy: -111.354
tors. eta vs tors. theta energy: -191.031
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: 256
Temperature: 1.100000
Total energy: -2198.016189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.016189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.016189 (E_RNA)
where:
Base-Base interactions energy: -1486.411
where: short stacking energy: -642.778
Base-Backbone interact. energy: -2.766
local terms energy: -708.839839
where:
bonds (distance) C4'-P energy: -138.413
bonds (distance) P-C4' energy: -130.227
flat angles C4'-P-C4' energy: -155.174
flat angles P-C4'-P energy: -96.845
tors. eta vs tors. theta energy: -188.181
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: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2081.712049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.712049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.712049 (E_RNA)
where:
Base-Base interactions energy: -1420.256
where: short stacking energy: -605.837
Base-Backbone interact. energy: -2.504
local terms energy: -658.951740
where:
bonds (distance) C4'-P energy: -119.164
bonds (distance) P-C4' energy: -123.506
flat angles C4'-P-C4' energy: -147.318
flat angles P-C4'-P energy: -98.311
tors. eta vs tors. theta energy: -170.653
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: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2014.505959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.505959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.505959 (E_RNA)
where:
Base-Base interactions energy: -1363.724
where: short stacking energy: -595.572
Base-Backbone interact. energy: -1.621
local terms energy: -649.160508
where:
bonds (distance) C4'-P energy: -139.955
bonds (distance) P-C4' energy: -124.389
flat angles C4'-P-C4' energy: -139.605
flat angles P-C4'-P energy: -96.876
tors. eta vs tors. theta energy: -148.335
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1610.624893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.624893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.624893 (E_RNA)
where:
Base-Base interactions energy: -1047.965
where: short stacking energy: -493.700
Base-Backbone interact. energy: 4.532
local terms energy: -567.191845
where:
bonds (distance) C4'-P energy: -117.666
bonds (distance) P-C4' energy: -124.638
flat angles C4'-P-C4' energy: -130.788
flat angles P-C4'-P energy: -88.196
tors. eta vs tors. theta energy: -105.904
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: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -991.343729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.343729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.343729 (E_RNA)
where:
Base-Base interactions energy: -545.004
where: short stacking energy: -275.748
Base-Backbone interact. energy: -2.077
local terms energy: -444.262846
where:
bonds (distance) C4'-P energy: -124.907
bonds (distance) P-C4' energy: -135.811
flat angles C4'-P-C4' energy: -72.565
flat angles P-C4'-P energy: -68.635
tors. eta vs tors. theta energy: -42.345
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: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -686.968059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.968059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.968059 (E_RNA)
where:
Base-Base interactions energy: -298.893
where: short stacking energy: -211.397
Base-Backbone interact. energy: -3.184
local terms energy: -384.890323
where:
bonds (distance) C4'-P energy: -104.039
bonds (distance) P-C4' energy: -106.776
flat angles C4'-P-C4' energy: -107.575
flat angles P-C4'-P energy: -61.698
tors. eta vs tors. theta energy: -4.802
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: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2619.840159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.840159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.840159 (E_RNA)
where:
Base-Base interactions energy: -1827.919
where: short stacking energy: -746.973
Base-Backbone interact. energy: 4.378
local terms energy: -796.298883
where:
bonds (distance) C4'-P energy: -147.803
bonds (distance) P-C4' energy: -162.116
flat angles C4'-P-C4' energy: -166.611
flat angles P-C4'-P energy: -112.420
tors. eta vs tors. theta energy: -207.348
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: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2566.358894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.358894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.358894 (E_RNA)
where:
Base-Base interactions energy: -1793.358
where: short stacking energy: -740.494
Base-Backbone interact. energy: 0.733
local terms energy: -773.733842
where:
bonds (distance) C4'-P energy: -147.012
bonds (distance) P-C4' energy: -143.322
flat angles C4'-P-C4' energy: -167.993
flat angles P-C4'-P energy: -110.400
tors. eta vs tors. theta energy: -205.007
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: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2379.384121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.384121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.384121 (E_RNA)
where:
Base-Base interactions energy: -1649.064
where: short stacking energy: -739.731
Base-Backbone interact. energy: 2.046
local terms energy: -732.366849
where:
bonds (distance) C4'-P energy: -125.421
bonds (distance) P-C4' energy: -125.811
flat angles C4'-P-C4' energy: -163.504
flat angles P-C4'-P energy: -109.564
tors. eta vs tors. theta energy: -208.067
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: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2276.167767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.167767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.167767 (E_RNA)
where:
Base-Base interactions energy: -1567.687
where: short stacking energy: -653.299
Base-Backbone interact. energy: -2.751
local terms energy: -705.729810
where:
bonds (distance) C4'-P energy: -136.283
bonds (distance) P-C4' energy: -134.397
flat angles C4'-P-C4' energy: -154.636
flat angles P-C4'-P energy: -98.544
tors. eta vs tors. theta energy: -181.871
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: 257
Temperature: 1.100000
Total energy: -2179.390778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.390778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.390778 (E_RNA)
where:
Base-Base interactions energy: -1512.616
where: short stacking energy: -639.056
Base-Backbone interact. energy: -4.473
local terms energy: -662.302111
where:
bonds (distance) C4'-P energy: -135.381
bonds (distance) P-C4' energy: -117.223
flat angles C4'-P-C4' energy: -151.180
flat angles P-C4'-P energy: -81.400
tors. eta vs tors. theta energy: -177.119
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: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2117.424119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.424119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.424119 (E_RNA)
where:
Base-Base interactions energy: -1462.092
where: short stacking energy: -625.880
Base-Backbone interact. energy: -0.672
local terms energy: -654.659775
where:
bonds (distance) C4'-P energy: -128.279
bonds (distance) P-C4' energy: -107.603
flat angles C4'-P-C4' energy: -161.909
flat angles P-C4'-P energy: -91.086
tors. eta vs tors. theta energy: -165.783
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: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1940.007053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.007053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.007053 (E_RNA)
where:
Base-Base interactions energy: -1340.383
where: short stacking energy: -536.613
Base-Backbone interact. energy: 1.281
local terms energy: -600.904699
where:
bonds (distance) C4'-P energy: -129.924
bonds (distance) P-C4' energy: -127.017
flat angles C4'-P-C4' energy: -117.046
flat angles P-C4'-P energy: -83.200
tors. eta vs tors. theta energy: -143.718
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: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1569.277853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.277853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.277853 (E_RNA)
where:
Base-Base interactions energy: -1035.909
where: short stacking energy: -451.834
Base-Backbone interact. energy: -1.152
local terms energy: -532.216466
where:
bonds (distance) C4'-P energy: -98.121
bonds (distance) P-C4' energy: -116.202
flat angles C4'-P-C4' energy: -134.566
flat angles P-C4'-P energy: -81.833
tors. eta vs tors. theta energy: -101.494
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: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -960.530748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.530748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.530748 (E_RNA)
where:
Base-Base interactions energy: -543.719
where: short stacking energy: -278.610
Base-Backbone interact. energy: 2.297
local terms energy: -419.108859
where:
bonds (distance) C4'-P energy: -116.958
bonds (distance) P-C4' energy: -121.966
flat angles C4'-P-C4' energy: -108.381
flat angles P-C4'-P energy: -53.809
tors. eta vs tors. theta energy: -17.995
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: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -717.393482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.393482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.393482 (E_RNA)
where:
Base-Base interactions energy: -341.490
where: short stacking energy: -186.222
Base-Backbone interact. energy: 8.373
local terms energy: -384.277349
where:
bonds (distance) C4'-P energy: -99.649
bonds (distance) P-C4' energy: -132.791
flat angles C4'-P-C4' energy: -99.618
flat angles P-C4'-P energy: -67.804
tors. eta vs tors. theta energy: 15.585
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: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2598.455535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.455535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.455535 (E_RNA)
where:
Base-Base interactions energy: -1791.554
where: short stacking energy: -751.010
Base-Backbone interact. energy: -6.246
local terms energy: -800.655800
where:
bonds (distance) C4'-P energy: -142.938
bonds (distance) P-C4' energy: -151.058
flat angles C4'-P-C4' energy: -167.197
flat angles P-C4'-P energy: -112.468
tors. eta vs tors. theta energy: -226.994
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: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2525.311110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.311110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.311110 (E_RNA)
where:
Base-Base interactions energy: -1752.599
where: short stacking energy: -725.998
Base-Backbone interact. energy: -4.280
local terms energy: -768.432168
where:
bonds (distance) C4'-P energy: -144.855
bonds (distance) P-C4' energy: -132.977
flat angles C4'-P-C4' energy: -166.604
flat angles P-C4'-P energy: -121.276
tors. eta vs tors. theta energy: -202.721
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: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2391.423083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.423083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.423083 (E_RNA)
where:
Base-Base interactions energy: -1648.128
where: short stacking energy: -713.917
Base-Backbone interact. energy: -4.797
local terms energy: -738.498440
where:
bonds (distance) C4'-P energy: -132.395
bonds (distance) P-C4' energy: -143.369
flat angles C4'-P-C4' energy: -160.917
flat angles P-C4'-P energy: -104.290
tors. eta vs tors. theta energy: -197.527
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: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2324.656696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.656696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.656696 (E_RNA)
where:
Base-Base interactions energy: -1570.486
where: short stacking energy: -681.626
Base-Backbone interact. energy: -3.270
local terms energy: -750.900500
where:
bonds (distance) C4'-P energy: -136.891
bonds (distance) P-C4' energy: -155.193
flat angles C4'-P-C4' energy: -161.235
flat angles P-C4'-P energy: -103.218
tors. eta vs tors. theta energy: -194.363
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: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2202.197661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.197661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.197661 (E_RNA)
where:
Base-Base interactions energy: -1506.436
where: short stacking energy: -637.242
Base-Backbone interact. energy: -2.961
local terms energy: -692.800426
where:
bonds (distance) C4'-P energy: -118.822
bonds (distance) P-C4' energy: -147.449
flat angles C4'-P-C4' energy: -159.826
flat angles P-C4'-P energy: -82.991
tors. eta vs tors. theta energy: -183.713
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: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2100.436462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.436462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.436462 (E_RNA)
where:
Base-Base interactions energy: -1442.488
where: short stacking energy: -623.307
Base-Backbone interact. energy: -2.400
local terms energy: -655.547787
where:
bonds (distance) C4'-P energy: -124.418
bonds (distance) P-C4' energy: -131.784
flat angles C4'-P-C4' energy: -137.523
flat angles P-C4'-P energy: -88.640
tors. eta vs tors. theta energy: -173.183
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: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1939.874792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.874792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.874792 (E_RNA)
where:
Base-Base interactions energy: -1316.152
where: short stacking energy: -556.621
Base-Backbone interact. energy: 1.255
local terms energy: -624.977777
where:
bonds (distance) C4'-P energy: -123.852
bonds (distance) P-C4' energy: -127.148
flat angles C4'-P-C4' energy: -136.952
flat angles P-C4'-P energy: -94.170
tors. eta vs tors. theta energy: -142.855
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: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1588.521255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.521255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.521255 (E_RNA)
where:
Base-Base interactions energy: -1060.289
where: short stacking energy: -463.053
Base-Backbone interact. energy: 7.967
local terms energy: -536.199444
where:
bonds (distance) C4'-P energy: -116.648
bonds (distance) P-C4' energy: -132.861
flat angles C4'-P-C4' energy: -108.729
flat angles P-C4'-P energy: -66.076
tors. eta vs tors. theta energy: -111.885
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: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -916.880739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.880739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.880739 (E_RNA)
where:
Base-Base interactions energy: -481.056
where: short stacking energy: -242.760
Base-Backbone interact. energy: -2.014
local terms energy: -433.810603
where:
bonds (distance) C4'-P energy: -114.275
bonds (distance) P-C4' energy: -126.484
flat angles C4'-P-C4' energy: -108.287
flat angles P-C4'-P energy: -69.244
tors. eta vs tors. theta energy: -15.520
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: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -707.223091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.223091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.223091 (E_RNA)
where:
Base-Base interactions energy: -304.903
where: short stacking energy: -171.198
Base-Backbone interact. energy: 4.353
local terms energy: -406.673663
where:
bonds (distance) C4'-P energy: -116.373
bonds (distance) P-C4' energy: -131.891
flat angles C4'-P-C4' energy: -96.719
flat angles P-C4'-P energy: -77.029
tors. eta vs tors. theta energy: 15.339
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: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2589.698790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.698790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.698790 (E_RNA)
where:
Base-Base interactions energy: -1810.021
where: short stacking energy: -742.200
Base-Backbone interact. energy: -2.413
local terms energy: -777.264692
where:
bonds (distance) C4'-P energy: -152.792
bonds (distance) P-C4' energy: -142.657
flat angles C4'-P-C4' energy: -169.628
flat angles P-C4'-P energy: -83.870
tors. eta vs tors. theta energy: -228.319
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: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2528.600690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.600690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.600690 (E_RNA)
where:
Base-Base interactions energy: -1734.923
where: short stacking energy: -715.842
Base-Backbone interact. energy: -2.410
local terms energy: -791.266775
where:
bonds (distance) C4'-P energy: -160.595
bonds (distance) P-C4' energy: -149.676
flat angles C4'-P-C4' energy: -161.768
flat angles P-C4'-P energy: -112.788
tors. eta vs tors. theta energy: -206.440
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: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2385.403813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.403813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.403813 (E_RNA)
where:
Base-Base interactions energy: -1643.210
where: short stacking energy: -711.889
Base-Backbone interact. energy: -1.822
local terms energy: -740.371749
where:
bonds (distance) C4'-P energy: -122.529
bonds (distance) P-C4' energy: -154.189
flat angles C4'-P-C4' energy: -156.531
flat angles P-C4'-P energy: -110.101
tors. eta vs tors. theta energy: -197.021
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: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2260.972262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.972262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.972262 (E_RNA)
where:
Base-Base interactions energy: -1563.411
where: short stacking energy: -685.281
Base-Backbone interact. energy: -5.191
local terms energy: -692.370350
where:
bonds (distance) C4'-P energy: -111.087
bonds (distance) P-C4' energy: -135.988
flat angles C4'-P-C4' energy: -161.355
flat angles P-C4'-P energy: -91.647
tors. eta vs tors. theta energy: -192.293
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: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2201.236321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.236321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.236321 (E_RNA)
where:
Base-Base interactions energy: -1500.800
where: short stacking energy: -669.758
Base-Backbone interact. energy: -5.622
local terms energy: -694.814321
where:
bonds (distance) C4'-P energy: -140.661
bonds (distance) P-C4' energy: -131.785
flat angles C4'-P-C4' energy: -152.988
flat angles P-C4'-P energy: -87.964
tors. eta vs tors. theta energy: -181.417
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: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2102.904482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.904482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.904482 (E_RNA)
where:
Base-Base interactions energy: -1444.915
where: short stacking energy: -622.253
Base-Backbone interact. energy: -1.247
local terms energy: -656.742372
where:
bonds (distance) C4'-P energy: -102.491
bonds (distance) P-C4' energy: -137.963
flat angles C4'-P-C4' energy: -156.876
flat angles P-C4'-P energy: -87.268
tors. eta vs tors. theta energy: -172.145
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: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1990.710042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.710042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.710042 (E_RNA)
where:
Base-Base interactions energy: -1362.764
where: short stacking energy: -567.456
Base-Backbone interact. energy: -0.903
local terms energy: -627.042578
where:
bonds (distance) C4'-P energy: -135.960
bonds (distance) P-C4' energy: -125.080
flat angles C4'-P-C4' energy: -128.523
flat angles P-C4'-P energy: -81.330
tors. eta vs tors. theta energy: -156.150
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: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1563.237559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.237559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.237559 (E_RNA)
where:
Base-Base interactions energy: -1029.859
where: short stacking energy: -451.864
Base-Backbone interact. energy: 0.790
local terms energy: -534.167744
where:
bonds (distance) C4'-P energy: -127.894
bonds (distance) P-C4' energy: -119.564
flat angles C4'-P-C4' energy: -119.350
flat angles P-C4'-P energy: -67.800
tors. eta vs tors. theta energy: -99.560
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: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -896.582855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.582855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.582855 (E_RNA)
where:
Base-Base interactions energy: -490.503
where: short stacking energy: -237.143
Base-Backbone interact. energy: 0.765
local terms energy: -406.845228
where:
bonds (distance) C4'-P energy: -109.079
bonds (distance) P-C4' energy: -120.668
flat angles C4'-P-C4' energy: -104.854
flat angles P-C4'-P energy: -64.543
tors. eta vs tors. theta energy: -7.702
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: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -695.328144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.328144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.328144 (E_RNA)
where:
Base-Base interactions energy: -317.392
where: short stacking energy: -156.786
Base-Backbone interact. energy: 3.756
local terms energy: -381.692204
where:
bonds (distance) C4'-P energy: -131.640
bonds (distance) P-C4' energy: -119.175
flat angles C4'-P-C4' energy: -96.030
flat angles P-C4'-P energy: -60.047
tors. eta vs tors. theta energy: 25.201
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: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2610.202760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.202760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.202760 (E_RNA)
where:
Base-Base interactions energy: -1838.112
where: short stacking energy: -750.779
Base-Backbone interact. energy: -4.257
local terms energy: -767.833648
where:
bonds (distance) C4'-P energy: -139.828
bonds (distance) P-C4' energy: -124.871
flat angles C4'-P-C4' energy: -168.390
flat angles P-C4'-P energy: -117.710
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: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2560.376617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.376617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.376617 (E_RNA)
where:
Base-Base interactions energy: -1780.037
where: short stacking energy: -742.658
Base-Backbone interact. energy: 1.552
local terms energy: -781.892013
where:
bonds (distance) C4'-P energy: -141.402
bonds (distance) P-C4' energy: -140.154
flat angles C4'-P-C4' energy: -168.028
flat angles P-C4'-P energy: -111.670
tors. eta vs tors. theta energy: -220.637
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: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2423.801083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.801083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.801083 (E_RNA)
where:
Base-Base interactions energy: -1674.063
where: short stacking energy: -734.766
Base-Backbone interact. energy: -4.273
local terms energy: -745.464949
where:
bonds (distance) C4'-P energy: -130.802
bonds (distance) P-C4' energy: -137.950
flat angles C4'-P-C4' energy: -155.108
flat angles P-C4'-P energy: -106.006
tors. eta vs tors. theta energy: -215.598
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: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2246.683375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.683375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.683375 (E_RNA)
where:
Base-Base interactions energy: -1526.495
where: short stacking energy: -663.077
Base-Backbone interact. energy: -4.889
local terms energy: -715.299653
where:
bonds (distance) C4'-P energy: -131.488
bonds (distance) P-C4' energy: -145.265
flat angles C4'-P-C4' energy: -153.486
flat angles P-C4'-P energy: -105.284
tors. eta vs tors. theta energy: -179.776
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: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2234.874827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.874827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.874827 (E_RNA)
where:
Base-Base interactions energy: -1507.146
where: short stacking energy: -680.305
Base-Backbone interact. energy: -2.591
local terms energy: -725.138547
where:
bonds (distance) C4'-P energy: -124.730
bonds (distance) P-C4' energy: -148.461
flat angles C4'-P-C4' energy: -163.448
flat angles P-C4'-P energy: -99.474
tors. eta vs tors. theta energy: -189.026
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: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2108.630358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.630358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.630358 (E_RNA)
where:
Base-Base interactions energy: -1450.278
where: short stacking energy: -636.098
Base-Backbone interact. energy: -3.599
local terms energy: -654.752818
where:
bonds (distance) C4'-P energy: -121.890
bonds (distance) P-C4' energy: -120.004
flat angles C4'-P-C4' energy: -141.495
flat angles P-C4'-P energy: -85.086
tors. eta vs tors. theta energy: -186.278
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: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1963.753192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.753192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.753192 (E_RNA)
where:
Base-Base interactions energy: -1345.897
where: short stacking energy: -564.865
Base-Backbone interact. energy: 0.856
local terms energy: -618.711595
where:
bonds (distance) C4'-P energy: -133.694
bonds (distance) P-C4' energy: -117.569
flat angles C4'-P-C4' energy: -134.264
flat angles P-C4'-P energy: -85.912
tors. eta vs tors. theta energy: -147.273
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: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1644.810621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.810621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.810621 (E_RNA)
where:
Base-Base interactions energy: -1075.972
where: short stacking energy: -470.035
Base-Backbone interact. energy: -0.587
local terms energy: -568.251647
where:
bonds (distance) C4'-P energy: -108.364
bonds (distance) P-C4' energy: -140.986
flat angles C4'-P-C4' energy: -121.325
flat angles P-C4'-P energy: -85.949
tors. eta vs tors. theta energy: -111.627
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: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -913.885507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.885507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.885507 (E_RNA)
where:
Base-Base interactions energy: -484.236
where: short stacking energy: -254.900
Base-Backbone interact. energy: 6.998
local terms energy: -436.647989
where:
bonds (distance) C4'-P energy: -103.681
bonds (distance) P-C4' energy: -116.333
flat angles C4'-P-C4' energy: -109.542
flat angles P-C4'-P energy: -66.479
tors. eta vs tors. theta energy: -40.612
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: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -742.539652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.539652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.539652 (E_RNA)
where:
Base-Base interactions energy: -325.775
where: short stacking energy: -178.085
Base-Backbone interact. energy: -4.244
local terms energy: -412.520569
where:
bonds (distance) C4'-P energy: -123.554
bonds (distance) P-C4' energy: -124.757
flat angles C4'-P-C4' energy: -101.960
flat angles P-C4'-P energy: -67.336
tors. eta vs tors. theta energy: 5.086
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: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2596.782744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.782744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.782744 (E_RNA)
where:
Base-Base interactions energy: -1783.113
where: short stacking energy: -744.298
Base-Backbone interact. energy: -3.582
local terms energy: -810.087804
where:
bonds (distance) C4'-P energy: -153.607
bonds (distance) P-C4' energy: -143.537
flat angles C4'-P-C4' energy: -180.000
flat angles P-C4'-P energy: -113.134
tors. eta vs tors. theta energy: -219.809
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: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2542.269807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.269807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.269807 (E_RNA)
where:
Base-Base interactions energy: -1760.739
where: short stacking energy: -744.380
Base-Backbone interact. energy: -2.563
local terms energy: -778.968129
where:
bonds (distance) C4'-P energy: -136.244
bonds (distance) P-C4' energy: -148.609
flat angles C4'-P-C4' energy: -161.728
flat angles P-C4'-P energy: -116.120
tors. eta vs tors. theta energy: -216.268
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: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2439.558125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.558125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.558125 (E_RNA)
where:
Base-Base interactions energy: -1684.679
where: short stacking energy: -728.875
Base-Backbone interact. energy: -0.319
local terms energy: -754.559583
where:
bonds (distance) C4'-P energy: -139.531
bonds (distance) P-C4' energy: -149.255
flat angles C4'-P-C4' energy: -150.195
flat angles P-C4'-P energy: -105.404
tors. eta vs tors. theta energy: -210.175
Dist. restrs. and SS energy: 0.000 (S_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: 261
Temperature: 1.050000
Total energy: -2228.358241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.358241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.358241 (E_RNA)
where:
Base-Base interactions energy: -1503.496
where: short stacking energy: -680.900
Base-Backbone interact. energy: -1.309
local terms energy: -723.552645
where:
bonds (distance) C4'-P energy: -140.118
bonds (distance) P-C4' energy: -143.809
flat angles C4'-P-C4' energy: -143.031
flat angles P-C4'-P energy: -107.873
tors. eta vs tors. theta energy: -188.722
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: 261
Temperature: 1.100000
Total energy: -2164.503777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.503777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.503777 (E_RNA)
where:
Base-Base interactions energy: -1515.751
where: short stacking energy: -648.114
Base-Backbone interact. energy: -1.221
local terms energy: -647.531642
where:
bonds (distance) C4'-P energy: -109.580
bonds (distance) P-C4' energy: -118.962
flat angles C4'-P-C4' energy: -144.940
flat angles P-C4'-P energy: -95.870
tors. eta vs tors. theta energy: -178.179
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: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2108.173127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.173127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.173127 (E_RNA)
where:
Base-Base interactions energy: -1381.583
where: short stacking energy: -605.004
Base-Backbone interact. energy: 0.063
local terms energy: -726.653434
where:
bonds (distance) C4'-P energy: -134.469
bonds (distance) P-C4' energy: -143.730
flat angles C4'-P-C4' energy: -160.407
flat angles P-C4'-P energy: -102.505
tors. eta vs tors. theta energy: -185.542
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: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1972.700548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.700548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.700548 (E_RNA)
where:
Base-Base interactions energy: -1328.409
where: short stacking energy: -560.343
Base-Backbone interact. energy: 0.586
local terms energy: -644.878152
where:
bonds (distance) C4'-P energy: -137.829
bonds (distance) P-C4' energy: -118.767
flat angles C4'-P-C4' energy: -146.433
flat angles P-C4'-P energy: -80.810
tors. eta vs tors. theta energy: -161.039
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: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1579.657299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.657299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.657299 (E_RNA)
where:
Base-Base interactions energy: -1035.862
where: short stacking energy: -467.334
Base-Backbone interact. energy: 0.752
local terms energy: -544.547382
where:
bonds (distance) C4'-P energy: -122.330
bonds (distance) P-C4' energy: -138.353
flat angles C4'-P-C4' energy: -116.602
flat angles P-C4'-P energy: -69.807
tors. eta vs tors. theta energy: -97.456
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: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -939.500839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.500839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.500839 (E_RNA)
where:
Base-Base interactions energy: -502.459
where: short stacking energy: -257.777
Base-Backbone interact. energy: -4.161
local terms energy: -432.880431
where:
bonds (distance) C4'-P energy: -116.719
bonds (distance) P-C4' energy: -143.511
flat angles C4'-P-C4' energy: -102.933
flat angles P-C4'-P energy: -72.698
tors. eta vs tors. theta energy: 2.980
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: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -750.488205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.488205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.488205 (E_RNA)
where:
Base-Base interactions energy: -358.988
where: short stacking energy: -203.039
Base-Backbone interact. energy: -1.369
local terms energy: -390.131781
where:
bonds (distance) C4'-P energy: -125.959
bonds (distance) P-C4' energy: -116.943
flat angles C4'-P-C4' energy: -107.678
flat angles P-C4'-P energy: -53.735
tors. eta vs tors. theta energy: 14.183
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: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2590.239293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.239293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.239293 (E_RNA)
where:
Base-Base interactions energy: -1803.139
where: short stacking energy: -742.205
Base-Backbone interact. energy: -7.384
local terms energy: -779.716527
where:
bonds (distance) C4'-P energy: -158.176
bonds (distance) P-C4' energy: -131.720
flat angles C4'-P-C4' energy: -173.939
flat angles P-C4'-P energy: -98.460
tors. eta vs tors. theta energy: -217.422
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: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2519.835774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.835774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.835774 (E_RNA)
where:
Base-Base interactions energy: -1766.631
where: short stacking energy: -736.639
Base-Backbone interact. energy: -3.598
local terms energy: -749.607244
where:
bonds (distance) C4'-P energy: -147.735
bonds (distance) P-C4' energy: -138.010
flat angles C4'-P-C4' energy: -153.490
flat angles P-C4'-P energy: -112.096
tors. eta vs tors. theta energy: -198.277
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: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2434.250146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.250146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.250146 (E_RNA)
where:
Base-Base interactions energy: -1688.597
where: short stacking energy: -736.581
Base-Backbone interact. energy: -4.258
local terms energy: -741.395024
where:
bonds (distance) C4'-P energy: -124.190
bonds (distance) P-C4' energy: -133.360
flat angles C4'-P-C4' energy: -162.539
flat angles P-C4'-P energy: -106.982
tors. eta vs tors. theta energy: -214.324
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: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2262.198098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.198098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.198098 (E_RNA)
where:
Base-Base interactions energy: -1548.876
where: short stacking energy: -644.183
Base-Backbone interact. energy: -4.401
local terms energy: -708.921163
where:
bonds (distance) C4'-P energy: -125.430
bonds (distance) P-C4' energy: -150.506
flat angles C4'-P-C4' energy: -147.551
flat angles P-C4'-P energy: -104.748
tors. eta vs tors. theta energy: -180.685
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: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2155.619950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.619950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.619950 (E_RNA)
where:
Base-Base interactions energy: -1457.909
where: short stacking energy: -638.141
Base-Backbone interact. energy: -0.721
local terms energy: -696.989525
where:
bonds (distance) C4'-P energy: -113.634
bonds (distance) P-C4' energy: -150.488
flat angles C4'-P-C4' energy: -157.514
flat angles P-C4'-P energy: -99.325
tors. eta vs tors. theta energy: -176.028
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: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2091.793515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.793515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.793515 (E_RNA)
where:
Base-Base interactions energy: -1431.461
where: short stacking energy: -623.226
Base-Backbone interact. energy: -1.725
local terms energy: -658.607334
where:
bonds (distance) C4'-P energy: -131.693
bonds (distance) P-C4' energy: -117.887
flat angles C4'-P-C4' energy: -142.263
flat angles P-C4'-P energy: -97.536
tors. eta vs tors. theta energy: -169.229
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: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1952.603352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.603352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.603352 (E_RNA)
where:
Base-Base interactions energy: -1326.839
where: short stacking energy: -560.525
Base-Backbone interact. energy: -0.810
local terms energy: -624.954652
where:
bonds (distance) C4'-P energy: -117.002
bonds (distance) P-C4' energy: -133.697
flat angles C4'-P-C4' energy: -129.353
flat angles P-C4'-P energy: -90.797
tors. eta vs tors. theta energy: -154.106
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: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1524.365366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.365366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.365366 (E_RNA)
where:
Base-Base interactions energy: -970.159
where: short stacking energy: -439.239
Base-Backbone interact. energy: -5.160
local terms energy: -549.046465
where:
bonds (distance) C4'-P energy: -129.181
bonds (distance) P-C4' energy: -130.139
flat angles C4'-P-C4' energy: -116.503
flat angles P-C4'-P energy: -77.879
tors. eta vs tors. theta energy: -95.344
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: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -865.107826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.107826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.107826 (E_RNA)
where:
Base-Base interactions energy: -465.981
where: short stacking energy: -252.570
Base-Backbone interact. energy: 3.437
local terms energy: -402.563690
where:
bonds (distance) C4'-P energy: -103.345
bonds (distance) P-C4' energy: -118.625
flat angles C4'-P-C4' energy: -96.748
flat angles P-C4'-P energy: -72.326
tors. eta vs tors. theta energy: -11.520
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: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -702.091929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.091929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.091929 (E_RNA)
where:
Base-Base interactions energy: -291.011
where: short stacking energy: -164.287
Base-Backbone interact. energy: 5.149
local terms energy: -416.229935
where:
bonds (distance) C4'-P energy: -117.535
bonds (distance) P-C4' energy: -141.365
flat angles C4'-P-C4' energy: -101.368
flat angles P-C4'-P energy: -60.004
tors. eta vs tors. theta energy: 4.041
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: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2641.969771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.969771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.969771 (E_RNA)
where:
Base-Base interactions energy: -1841.305
where: short stacking energy: -768.051
Base-Backbone interact. energy: -1.993
local terms energy: -798.671662
where:
bonds (distance) C4'-P energy: -147.390
bonds (distance) P-C4' energy: -149.393
flat angles C4'-P-C4' energy: -169.634
flat angles P-C4'-P energy: -117.048
tors. eta vs tors. theta energy: -215.206
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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2520.970158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.970158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.970158 (E_RNA)
where:
Base-Base interactions energy: -1746.437
where: short stacking energy: -731.461
Base-Backbone interact. energy: -4.038
local terms energy: -770.494646
where:
bonds (distance) C4'-P energy: -132.231
bonds (distance) P-C4' energy: -153.059
flat angles C4'-P-C4' energy: -165.019
flat angles P-C4'-P energy: -103.758
tors. eta vs tors. theta energy: -216.427
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: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2384.188003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.188003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.188003 (E_RNA)
where:
Base-Base interactions energy: -1615.058
where: short stacking energy: -675.545
Base-Backbone interact. energy: -1.455
local terms energy: -767.675017
where:
bonds (distance) C4'-P energy: -139.055
bonds (distance) P-C4' energy: -150.372
flat angles C4'-P-C4' energy: -156.390
flat angles P-C4'-P energy: -116.786
tors. eta vs tors. theta energy: -205.073
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: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2250.603629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.603629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.603629 (E_RNA)
where:
Base-Base interactions energy: -1527.590
where: short stacking energy: -640.242
Base-Backbone interact. energy: -3.450
local terms energy: -719.562771
where:
bonds (distance) C4'-P energy: -132.390
bonds (distance) P-C4' energy: -141.282
flat angles C4'-P-C4' energy: -162.243
flat angles P-C4'-P energy: -105.599
tors. eta vs tors. theta energy: -178.048
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: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2136.221668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.221668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.221668 (E_RNA)
where:
Base-Base interactions energy: -1442.621
where: short stacking energy: -624.675
Base-Backbone interact. energy: -3.740
local terms energy: -689.860509
where:
bonds (distance) C4'-P energy: -121.254
bonds (distance) P-C4' energy: -140.494
flat angles C4'-P-C4' energy: -159.028
flat angles P-C4'-P energy: -90.548
tors. eta vs tors. theta energy: -178.537
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: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2100.230452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.230452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.230452 (E_RNA)
where:
Base-Base interactions energy: -1427.352
where: short stacking energy: -602.094
Base-Backbone interact. energy: -2.111
local terms energy: -670.768241
where:
bonds (distance) C4'-P energy: -103.300
bonds (distance) P-C4' energy: -135.159
flat angles C4'-P-C4' energy: -146.986
flat angles P-C4'-P energy: -107.028
tors. eta vs tors. theta energy: -178.295
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: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1907.301387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.301387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.301387 (E_RNA)
where:
Base-Base interactions energy: -1283.922
where: short stacking energy: -567.455
Base-Backbone interact. energy: -1.790
local terms energy: -621.589824
where:
bonds (distance) C4'-P energy: -120.510
bonds (distance) P-C4' energy: -133.747
flat angles C4'-P-C4' energy: -143.179
flat angles P-C4'-P energy: -74.162
tors. eta vs tors. theta energy: -149.991
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: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1556.973353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.973353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.973353 (E_RNA)
where:
Base-Base interactions energy: -1021.132
where: short stacking energy: -464.715
Base-Backbone interact. energy: 3.603
local terms energy: -539.443701
where:
bonds (distance) C4'-P energy: -106.179
bonds (distance) P-C4' energy: -134.896
flat angles C4'-P-C4' energy: -123.410
flat angles P-C4'-P energy: -82.299
tors. eta vs tors. theta energy: -92.659
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: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -821.938322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.938322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.938322 (E_RNA)
where:
Base-Base interactions energy: -412.525
where: short stacking energy: -211.687
Base-Backbone interact. energy: 5.284
local terms energy: -414.697410
where:
bonds (distance) C4'-P energy: -113.903
bonds (distance) P-C4' energy: -129.797
flat angles C4'-P-C4' energy: -108.494
flat angles P-C4'-P energy: -59.467
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: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -717.973947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.973947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.973947 (E_RNA)
where:
Base-Base interactions energy: -346.262
where: short stacking energy: -198.071
Base-Backbone interact. energy: -2.093
local terms energy: -369.618562
where:
bonds (distance) C4'-P energy: -101.838
bonds (distance) P-C4' energy: -121.223
flat angles C4'-P-C4' energy: -94.102
flat angles P-C4'-P energy: -70.238
tors. eta vs tors. theta energy: 17.782
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: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2634.903350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.903350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.903350 (E_RNA)
where:
Base-Base interactions energy: -1841.304
where: short stacking energy: -768.798
Base-Backbone interact. energy: -3.196
local terms energy: -790.403916
where:
bonds (distance) C4'-P energy: -152.465
bonds (distance) P-C4' energy: -145.643
flat angles C4'-P-C4' energy: -170.980
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -227.856
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: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2508.751029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.751029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.751029 (E_RNA)
where:
Base-Base interactions energy: -1757.465
where: short stacking energy: -740.211
Base-Backbone interact. energy: 0.812
local terms energy: -752.097257
where:
bonds (distance) C4'-P energy: -131.664
bonds (distance) P-C4' energy: -132.535
flat angles C4'-P-C4' energy: -175.403
flat angles P-C4'-P energy: -105.819
tors. eta vs tors. theta energy: -206.676
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: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2414.149867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.149867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.149867 (E_RNA)
where:
Base-Base interactions energy: -1671.704
where: short stacking energy: -719.934
Base-Backbone interact. energy: 2.571
local terms energy: -745.016698
where:
bonds (distance) C4'-P energy: -133.427
bonds (distance) P-C4' energy: -134.682
flat angles C4'-P-C4' energy: -159.754
flat angles P-C4'-P energy: -110.287
tors. eta vs tors. theta energy: -206.867
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: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2286.768435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.768435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.768435 (E_RNA)
where:
Base-Base interactions energy: -1592.171
where: short stacking energy: -676.689
Base-Backbone interact. energy: 0.976
local terms energy: -695.573801
where:
bonds (distance) C4'-P energy: -147.051
bonds (distance) P-C4' energy: -118.060
flat angles C4'-P-C4' energy: -136.494
flat angles P-C4'-P energy: -95.168
tors. eta vs tors. theta energy: -198.800
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: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2204.626797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.626797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.626797 (E_RNA)
where:
Base-Base interactions energy: -1517.792
where: short stacking energy: -645.420
Base-Backbone interact. energy: 1.384
local terms energy: -688.218921
where:
bonds (distance) C4'-P energy: -122.649
bonds (distance) P-C4' energy: -127.469
flat angles C4'-P-C4' energy: -155.300
flat angles P-C4'-P energy: -97.285
tors. eta vs tors. theta energy: -185.516
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: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2087.758229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.758229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.758229 (E_RNA)
where:
Base-Base interactions energy: -1403.379
where: short stacking energy: -592.272
Base-Backbone interact. energy: 0.767
local terms energy: -685.145496
where:
bonds (distance) C4'-P energy: -129.309
bonds (distance) P-C4' energy: -136.650
flat angles C4'-P-C4' energy: -144.449
flat angles P-C4'-P energy: -101.056
tors. eta vs tors. theta energy: -173.680
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: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1850.670516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.670516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.670516 (E_RNA)
where:
Base-Base interactions energy: -1229.927
where: short stacking energy: -526.524
Base-Backbone interact. energy: -1.575
local terms energy: -619.168205
where:
bonds (distance) C4'-P energy: -126.835
bonds (distance) P-C4' energy: -118.031
flat angles C4'-P-C4' energy: -142.942
flat angles P-C4'-P energy: -85.161
tors. eta vs tors. theta energy: -146.200
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: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1624.496337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.496337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.496337 (E_RNA)
where:
Base-Base interactions energy: -1059.155
where: short stacking energy: -444.685
Base-Backbone interact. energy: -2.844
local terms energy: -562.497226
where:
bonds (distance) C4'-P energy: -116.476
bonds (distance) P-C4' energy: -132.373
flat angles C4'-P-C4' energy: -132.020
flat angles P-C4'-P energy: -80.085
tors. eta vs tors. theta energy: -101.544
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: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -921.124873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.124873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.124873 (E_RNA)
where:
Base-Base interactions energy: -449.185
where: short stacking energy: -247.408
Base-Backbone interact. energy: -0.931
local terms energy: -471.008617
where:
bonds (distance) C4'-P energy: -121.236
bonds (distance) P-C4' energy: -137.828
flat angles C4'-P-C4' energy: -118.818
flat angles P-C4'-P energy: -69.245
tors. eta vs tors. theta energy: -23.883
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: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -721.917548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.917548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.917548 (E_RNA)
where:
Base-Base interactions energy: -323.601
where: short stacking energy: -201.126
Base-Backbone interact. energy: 0.927
local terms energy: -399.244241
where:
bonds (distance) C4'-P energy: -128.179
bonds (distance) P-C4' energy: -113.810
flat angles C4'-P-C4' energy: -90.365
flat angles P-C4'-P energy: -76.655
tors. eta vs tors. theta energy: 9.765
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: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2634.489665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.489665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.489665 (E_RNA)
where:
Base-Base interactions energy: -1872.131
where: short stacking energy: -765.477
Base-Backbone interact. energy: -0.908
local terms energy: -761.450282
where:
bonds (distance) C4'-P energy: -139.704
bonds (distance) P-C4' energy: -138.330
flat angles C4'-P-C4' energy: -171.582
flat angles P-C4'-P energy: -97.355
tors. eta vs tors. theta energy: -214.481
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: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2554.919288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.919288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.919288 (E_RNA)
where:
Base-Base interactions energy: -1763.000
where: short stacking energy: -740.883
Base-Backbone interact. energy: -2.377
local terms energy: -789.542519
where:
bonds (distance) C4'-P energy: -135.067
bonds (distance) P-C4' energy: -142.684
flat angles C4'-P-C4' energy: -177.806
flat angles P-C4'-P energy: -117.385
tors. eta vs tors. theta energy: -216.601
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: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2399.672012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.672012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.672012 (E_RNA)
where:
Base-Base interactions energy: -1622.674
where: short stacking energy: -683.744
Base-Backbone interact. energy: -1.211
local terms energy: -775.786908
where:
bonds (distance) C4'-P energy: -150.282
bonds (distance) P-C4' energy: -138.651
flat angles C4'-P-C4' energy: -170.662
flat angles P-C4'-P energy: -106.041
tors. eta vs tors. theta energy: -210.151
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: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2279.433607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.433607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.433607 (E_RNA)
where:
Base-Base interactions energy: -1567.462
where: short stacking energy: -694.106
Base-Backbone interact. energy: -1.587
local terms energy: -710.384811
where:
bonds (distance) C4'-P energy: -138.315
bonds (distance) P-C4' energy: -142.986
flat angles C4'-P-C4' energy: -154.355
flat angles P-C4'-P energy: -89.326
tors. eta vs tors. theta energy: -185.403
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: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2215.144906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.144906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.144906 (E_RNA)
where:
Base-Base interactions energy: -1535.948
where: short stacking energy: -651.951
Base-Backbone interact. energy: -0.290
local terms energy: -678.906883
where:
bonds (distance) C4'-P energy: -122.267
bonds (distance) P-C4' energy: -136.553
flat angles C4'-P-C4' energy: -138.005
flat angles P-C4'-P energy: -103.881
tors. eta vs tors. theta energy: -178.201
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2119.774557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.774557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.774557 (E_RNA)
where:
Base-Base interactions energy: -1456.765
where: short stacking energy: -643.417
Base-Backbone interact. energy: -4.172
local terms energy: -658.836839
where:
bonds (distance) C4'-P energy: -109.951
bonds (distance) P-C4' energy: -138.027
flat angles C4'-P-C4' energy: -142.886
flat angles P-C4'-P energy: -94.498
tors. eta vs tors. theta energy: -173.475
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: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1854.549199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.549199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.549199 (E_RNA)
where:
Base-Base interactions energy: -1239.582
where: short stacking energy: -541.504
Base-Backbone interact. energy: -1.333
local terms energy: -613.633585
where:
bonds (distance) C4'-P energy: -131.812
bonds (distance) P-C4' energy: -128.165
flat angles C4'-P-C4' energy: -134.395
flat angles P-C4'-P energy: -85.293
tors. eta vs tors. theta energy: -133.969
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: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1676.074727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.074727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.074727 (E_RNA)
where:
Base-Base interactions energy: -1085.509
where: short stacking energy: -474.491
Base-Backbone interact. energy: -0.080
local terms energy: -590.485862
where:
bonds (distance) C4'-P energy: -142.395
bonds (distance) P-C4' energy: -119.670
flat angles C4'-P-C4' energy: -137.958
flat angles P-C4'-P energy: -88.552
tors. eta vs tors. theta energy: -101.910
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -829.791595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.791595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.791595 (E_RNA)
where:
Base-Base interactions energy: -442.274
where: short stacking energy: -219.290
Base-Backbone interact. energy: 3.474
local terms energy: -390.991455
where:
bonds (distance) C4'-P energy: -109.461
bonds (distance) P-C4' energy: -113.590
flat angles C4'-P-C4' energy: -106.468
flat angles P-C4'-P energy: -63.605
tors. eta vs tors. theta energy: 2.133
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: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -719.797867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.797867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.797867 (E_RNA)
where:
Base-Base interactions energy: -338.133
where: short stacking energy: -174.176
Base-Backbone interact. energy: 1.978
local terms energy: -383.643282
where:
bonds (distance) C4'-P energy: -126.341
bonds (distance) P-C4' energy: -129.924
flat angles C4'-P-C4' energy: -99.899
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: 10.089
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: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2608.331152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.331152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.331152 (E_RNA)
where:
Base-Base interactions energy: -1807.124
where: short stacking energy: -772.553
Base-Backbone interact. energy: -5.025
local terms energy: -796.182175
where:
bonds (distance) C4'-P energy: -158.944
bonds (distance) P-C4' energy: -144.900
flat angles C4'-P-C4' energy: -172.937
flat angles P-C4'-P energy: -99.204
tors. eta vs tors. theta energy: -220.197
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: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2520.218534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.218534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.218534 (E_RNA)
where:
Base-Base interactions energy: -1736.266
where: short stacking energy: -722.701
Base-Backbone interact. energy: -4.935
local terms energy: -779.017477
where:
bonds (distance) C4'-P energy: -150.129
bonds (distance) P-C4' energy: -129.123
flat angles C4'-P-C4' energy: -171.248
flat angles P-C4'-P energy: -118.930
tors. eta vs tors. theta energy: -209.588
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: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2439.780219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.780219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.780219 (E_RNA)
where:
Base-Base interactions energy: -1692.293
where: short stacking energy: -709.176
Base-Backbone interact. energy: 2.674
local terms energy: -750.160614
where:
bonds (distance) C4'-P energy: -138.320
bonds (distance) P-C4' energy: -152.291
flat angles C4'-P-C4' energy: -153.391
flat angles P-C4'-P energy: -100.919
tors. eta vs tors. theta energy: -205.240
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: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2318.469886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.469886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.469886 (E_RNA)
where:
Base-Base interactions energy: -1581.173
where: short stacking energy: -730.445
Base-Backbone interact. energy: -0.148
local terms energy: -737.148942
where:
bonds (distance) C4'-P energy: -142.696
bonds (distance) P-C4' energy: -125.295
flat angles C4'-P-C4' energy: -170.450
flat angles P-C4'-P energy: -95.079
tors. eta vs tors. theta energy: -203.628
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: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2222.666582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.666582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.666582 (E_RNA)
where:
Base-Base interactions energy: -1522.204
where: short stacking energy: -643.221
Base-Backbone interact. energy: -2.855
local terms energy: -697.607651
where:
bonds (distance) C4'-P energy: -119.161
bonds (distance) P-C4' energy: -142.806
flat angles C4'-P-C4' energy: -158.603
flat angles P-C4'-P energy: -90.905
tors. eta vs tors. theta energy: -186.133
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: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2038.801702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.801702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.801702 (E_RNA)
where:
Base-Base interactions energy: -1389.913
where: short stacking energy: -597.766
Base-Backbone interact. energy: -0.638
local terms energy: -648.250503
where:
bonds (distance) C4'-P energy: -133.566
bonds (distance) P-C4' energy: -116.873
flat angles C4'-P-C4' energy: -134.852
flat angles P-C4'-P energy: -91.787
tors. eta vs tors. theta energy: -171.171
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: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1885.627960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.627960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.627960 (E_RNA)
where:
Base-Base interactions energy: -1287.081
where: short stacking energy: -537.479
Base-Backbone interact. energy: 0.795
local terms energy: -599.341906
where:
bonds (distance) C4'-P energy: -106.871
bonds (distance) P-C4' energy: -124.571
flat angles C4'-P-C4' energy: -141.215
flat angles P-C4'-P energy: -89.438
tors. eta vs tors. theta energy: -137.246
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: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1681.466161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.466161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.466161 (E_RNA)
where:
Base-Base interactions energy: -1108.307
where: short stacking energy: -502.470
Base-Backbone interact. energy: 2.055
local terms energy: -575.214420
where:
bonds (distance) C4'-P energy: -117.367
bonds (distance) P-C4' energy: -110.407
flat angles C4'-P-C4' energy: -130.476
flat angles P-C4'-P energy: -94.723
tors. eta vs tors. theta energy: -122.242
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: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -875.110272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.110272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.110272 (E_RNA)
where:
Base-Base interactions energy: -444.400
where: short stacking energy: -271.246
Base-Backbone interact. energy: 5.578
local terms energy: -436.288318
where:
bonds (distance) C4'-P energy: -97.192
bonds (distance) P-C4' energy: -123.369
flat angles C4'-P-C4' energy: -125.597
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -22.989
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: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -706.108842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.108842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.108842 (E_RNA)
where:
Base-Base interactions energy: -324.136
where: short stacking energy: -187.509
Base-Backbone interact. energy: 6.460
local terms energy: -388.433110
where:
bonds (distance) C4'-P energy: -123.238
bonds (distance) P-C4' energy: -116.013
flat angles C4'-P-C4' energy: -103.913
flat angles P-C4'-P energy: -58.440
tors. eta vs tors. theta energy: 13.171
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: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2595.128009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.128009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.128009 (E_RNA)
where:
Base-Base interactions energy: -1813.944
where: short stacking energy: -750.668
Base-Backbone interact. energy: -4.259
local terms energy: -776.925067
where:
bonds (distance) C4'-P energy: -145.206
bonds (distance) P-C4' energy: -135.562
flat angles C4'-P-C4' energy: -162.221
flat angles P-C4'-P energy: -109.384
tors. eta vs tors. theta energy: -224.552
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: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2548.307299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.307299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.307299 (E_RNA)
where:
Base-Base interactions energy: -1785.550
where: short stacking energy: -731.704
Base-Backbone interact. energy: -1.765
local terms energy: -760.992892
where:
bonds (distance) C4'-P energy: -127.749
bonds (distance) P-C4' energy: -153.909
flat angles C4'-P-C4' energy: -165.817
flat angles P-C4'-P energy: -100.269
tors. eta vs tors. theta energy: -213.249
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: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2427.422555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.422555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.422555 (E_RNA)
where:
Base-Base interactions energy: -1705.961
where: short stacking energy: -729.569
Base-Backbone interact. energy: -6.054
local terms energy: -715.407150
where:
bonds (distance) C4'-P energy: -131.187
bonds (distance) P-C4' energy: -132.569
flat angles C4'-P-C4' energy: -154.285
flat angles P-C4'-P energy: -97.660
tors. eta vs tors. theta energy: -199.707
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: 267
Temperature: 1.050000
Total energy: -2293.183407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.183407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.183407 (E_RNA)
where:
Base-Base interactions energy: -1558.464
where: short stacking energy: -680.523
Base-Backbone interact. energy: -4.798
local terms energy: -729.921336
where:
bonds (distance) C4'-P energy: -139.342
bonds (distance) P-C4' energy: -145.955
flat angles C4'-P-C4' energy: -159.064
flat angles P-C4'-P energy: -89.229
tors. eta vs tors. theta energy: -196.331
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: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2171.577559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.577559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.577559 (E_RNA)
where:
Base-Base interactions energy: -1485.917
where: short stacking energy: -628.931
Base-Backbone interact. energy: -3.168
local terms energy: -682.492957
where:
bonds (distance) C4'-P energy: -116.479
bonds (distance) P-C4' energy: -138.019
flat angles C4'-P-C4' energy: -153.687
flat angles P-C4'-P energy: -96.387
tors. eta vs tors. theta energy: -177.920
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: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2033.783698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.783698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.783698 (E_RNA)
where:
Base-Base interactions energy: -1401.397
where: short stacking energy: -613.564
Base-Backbone interact. energy: -1.521
local terms energy: -630.865596
where:
bonds (distance) C4'-P energy: -108.480
bonds (distance) P-C4' energy: -124.268
flat angles C4'-P-C4' energy: -133.840
flat angles P-C4'-P energy: -97.529
tors. eta vs tors. theta energy: -166.748
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: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1896.370619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.370619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.370619 (E_RNA)
where:
Base-Base interactions energy: -1305.859
where: short stacking energy: -564.362
Base-Backbone interact. energy: -2.988
local terms energy: -587.523169
where:
bonds (distance) C4'-P energy: -112.121
bonds (distance) P-C4' energy: -99.484
flat angles C4'-P-C4' energy: -136.500
flat angles P-C4'-P energy: -80.130
tors. eta vs tors. theta energy: -159.288
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: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1689.658915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.658915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.658915 (E_RNA)
where:
Base-Base interactions energy: -1105.090
where: short stacking energy: -508.581
Base-Backbone interact. energy: -1.407
local terms energy: -583.162775
where:
bonds (distance) C4'-P energy: -115.503
bonds (distance) P-C4' energy: -117.676
flat angles C4'-P-C4' energy: -136.196
flat angles P-C4'-P energy: -88.283
tors. eta vs tors. theta energy: -125.505
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: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -861.290610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.290610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.290610 (E_RNA)
where:
Base-Base interactions energy: -479.861
where: short stacking energy: -255.353
Base-Backbone interact. energy: -2.789
local terms energy: -378.640623
where:
bonds (distance) C4'-P energy: -109.893
bonds (distance) P-C4' energy: -119.384
flat angles C4'-P-C4' energy: -99.736
flat angles P-C4'-P energy: -44.328
tors. eta vs tors. theta energy: -5.300
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: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -753.420205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.420205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.420205 (E_RNA)
where:
Base-Base interactions energy: -351.098
where: short stacking energy: -230.096
Base-Backbone interact. energy: -2.540
local terms energy: -399.782587
where:
bonds (distance) C4'-P energy: -113.532
bonds (distance) P-C4' energy: -110.019
flat angles C4'-P-C4' energy: -109.224
flat angles P-C4'-P energy: -61.660
tors. eta vs tors. theta energy: -5.348
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: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2613.484917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.484917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.484917 (E_RNA)
where:
Base-Base interactions energy: -1824.199
where: short stacking energy: -766.204
Base-Backbone interact. energy: -4.328
local terms energy: -784.958076
where:
bonds (distance) C4'-P energy: -137.015
bonds (distance) P-C4' energy: -157.655
flat angles C4'-P-C4' energy: -162.262
flat angles P-C4'-P energy: -100.893
tors. eta vs tors. theta energy: -227.134
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: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2527.600748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.600748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.600748 (E_RNA)
where:
Base-Base interactions energy: -1748.832
where: short stacking energy: -735.909
Base-Backbone interact. energy: -2.480
local terms energy: -776.287953
where:
bonds (distance) C4'-P energy: -139.586
bonds (distance) P-C4' energy: -145.006
flat angles C4'-P-C4' energy: -174.184
flat angles P-C4'-P energy: -103.794
tors. eta vs tors. theta energy: -213.719
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: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2437.757202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.757202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.757202 (E_RNA)
where:
Base-Base interactions energy: -1672.794
where: short stacking energy: -738.050
Base-Backbone interact. energy: -6.150
local terms energy: -758.813725
where:
bonds (distance) C4'-P energy: -137.395
bonds (distance) P-C4' energy: -150.659
flat angles C4'-P-C4' energy: -157.664
flat angles P-C4'-P energy: -103.142
tors. eta vs tors. theta energy: -209.954
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: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2303.022042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.022042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.022042 (E_RNA)
where:
Base-Base interactions energy: -1575.947
where: short stacking energy: -713.166
Base-Backbone interact. energy: -1.958
local terms energy: -725.116373
where:
bonds (distance) C4'-P energy: -133.599
bonds (distance) P-C4' energy: -138.325
flat angles C4'-P-C4' energy: -155.216
flat angles P-C4'-P energy: -94.506
tors. eta vs tors. theta energy: -203.470
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: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2169.163493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.163493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.163493 (E_RNA)
where:
Base-Base interactions energy: -1479.106
where: short stacking energy: -641.558
Base-Backbone interact. energy: 2.150
local terms energy: -692.208156
where:
bonds (distance) C4'-P energy: -141.476
bonds (distance) P-C4' energy: -125.052
flat angles C4'-P-C4' energy: -154.799
flat angles P-C4'-P energy: -108.371
tors. eta vs tors. theta energy: -162.510
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: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2096.725207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.725207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.725207 (E_RNA)
where:
Base-Base interactions energy: -1432.221
where: short stacking energy: -612.164
Base-Backbone interact. energy: -1.917
local terms energy: -662.587145
where:
bonds (distance) C4'-P energy: -125.109
bonds (distance) P-C4' energy: -130.800
flat angles C4'-P-C4' energy: -155.090
flat angles P-C4'-P energy: -84.163
tors. eta vs tors. theta energy: -167.425
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: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1836.056795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.056795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.056795 (E_RNA)
where:
Base-Base interactions energy: -1220.621
where: short stacking energy: -553.063
Base-Backbone interact. energy: -1.765
local terms energy: -613.671215
where:
bonds (distance) C4'-P energy: -112.904
bonds (distance) P-C4' energy: -111.014
flat angles C4'-P-C4' energy: -143.647
flat angles P-C4'-P energy: -97.609
tors. eta vs tors. theta energy: -148.497
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: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1615.745732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.745732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.745732 (E_RNA)
where:
Base-Base interactions energy: -1097.980
where: short stacking energy: -470.722
Base-Backbone interact. energy: -1.130
local terms energy: -516.635750
where:
bonds (distance) C4'-P energy: -126.381
bonds (distance) P-C4' energy: -114.887
flat angles C4'-P-C4' energy: -123.973
flat angles P-C4'-P energy: -65.384
tors. eta vs tors. theta energy: -86.011
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: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -911.636722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.636722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.636722 (E_RNA)
where:
Base-Base interactions energy: -495.067
where: short stacking energy: -274.039
Base-Backbone interact. energy: -2.160
local terms energy: -414.409525
where:
bonds (distance) C4'-P energy: -113.439
bonds (distance) P-C4' energy: -109.912
flat angles C4'-P-C4' energy: -87.947
flat angles P-C4'-P energy: -78.386
tors. eta vs tors. theta energy: -24.725
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -721.452459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.452459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.452459 (E_RNA)
where:
Base-Base interactions energy: -370.016
where: short stacking energy: -227.347
Base-Backbone interact. energy: 0.559
local terms energy: -351.996083
where:
bonds (distance) C4'-P energy: -99.807
bonds (distance) P-C4' energy: -111.442
flat angles C4'-P-C4' energy: -91.664
flat angles P-C4'-P energy: -62.828
tors. eta vs tors. theta energy: 13.745
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: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2603.256833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.256833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.256833 (E_RNA)
where:
Base-Base interactions energy: -1801.664
where: short stacking energy: -731.689
Base-Backbone interact. energy: -5.079
local terms energy: -796.514359
where:
bonds (distance) C4'-P energy: -154.589
bonds (distance) P-C4' energy: -144.054
flat angles C4'-P-C4' energy: -172.307
flat angles P-C4'-P energy: -106.481
tors. eta vs tors. theta energy: -219.083
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: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2503.536056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.536056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.536056 (E_RNA)
where:
Base-Base interactions energy: -1722.490
where: short stacking energy: -716.633
Base-Backbone interact. energy: -2.299
local terms energy: -778.746671
where:
bonds (distance) C4'-P energy: -141.695
bonds (distance) P-C4' energy: -140.823
flat angles C4'-P-C4' energy: -163.974
flat angles P-C4'-P energy: -121.481
tors. eta vs tors. theta energy: -210.774
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: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2444.280365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.280365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.280365 (E_RNA)
where:
Base-Base interactions energy: -1673.587
where: short stacking energy: -761.208
Base-Backbone interact. energy: -4.058
local terms energy: -766.635195
where:
bonds (distance) C4'-P energy: -135.726
bonds (distance) P-C4' energy: -141.078
flat angles C4'-P-C4' energy: -164.804
flat angles P-C4'-P energy: -105.012
tors. eta vs tors. theta energy: -220.015
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: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2303.957722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.957722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.957722 (E_RNA)
where:
Base-Base interactions energy: -1581.075
where: short stacking energy: -701.704
Base-Backbone interact. energy: -0.641
local terms energy: -722.242501
where:
bonds (distance) C4'-P energy: -137.573
bonds (distance) P-C4' energy: -125.195
flat angles C4'-P-C4' energy: -144.980
flat angles P-C4'-P energy: -109.005
tors. eta vs tors. theta energy: -205.490
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: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2151.037773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.037773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.037773 (E_RNA)
where:
Base-Base interactions energy: -1465.649
where: short stacking energy: -653.057
Base-Backbone interact. energy: 0.824
local terms energy: -686.212886
where:
bonds (distance) C4'-P energy: -130.689
bonds (distance) P-C4' energy: -142.769
flat angles C4'-P-C4' energy: -144.618
flat angles P-C4'-P energy: -100.129
tors. eta vs tors. theta energy: -168.008
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: 269
Temperature: 1.150000
Total energy: -2046.398032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.398032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.398032 (E_RNA)
where:
Base-Base interactions energy: -1413.945
where: short stacking energy: -582.829
Base-Backbone interact. energy: -3.251
local terms energy: -629.201358
where:
bonds (distance) C4'-P energy: -110.757
bonds (distance) P-C4' energy: -116.626
flat angles C4'-P-C4' energy: -138.605
flat angles P-C4'-P energy: -95.369
tors. eta vs tors. theta energy: -167.844
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: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1921.818366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.818366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.818366 (E_RNA)
where:
Base-Base interactions energy: -1269.384
where: short stacking energy: -569.349
Base-Backbone interact. energy: -3.186
local terms energy: -649.248437
where:
bonds (distance) C4'-P energy: -127.940
bonds (distance) P-C4' energy: -129.364
flat angles C4'-P-C4' energy: -141.026
flat angles P-C4'-P energy: -101.632
tors. eta vs tors. theta energy: -149.286
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: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1709.000421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.000421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.000421 (E_RNA)
where:
Base-Base interactions energy: -1134.846
where: short stacking energy: -515.485
Base-Backbone interact. energy: -0.890
local terms energy: -573.263930
where:
bonds (distance) C4'-P energy: -120.530
bonds (distance) P-C4' energy: -120.073
flat angles C4'-P-C4' energy: -132.271
flat angles P-C4'-P energy: -79.004
tors. eta vs tors. theta energy: -121.385
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: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -939.314100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.314100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.314100 (E_RNA)
where:
Base-Base interactions energy: -506.303
where: short stacking energy: -243.609
Base-Backbone interact. energy: 5.618
local terms energy: -438.629145
where:
bonds (distance) C4'-P energy: -100.866
bonds (distance) P-C4' energy: -131.776
flat angles C4'-P-C4' energy: -119.806
flat angles P-C4'-P energy: -80.978
tors. eta vs tors. theta energy: -5.203
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: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -725.854235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.854235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.854235 (E_RNA)
where:
Base-Base interactions energy: -360.081
where: short stacking energy: -216.024
Base-Backbone interact. energy: -2.777
local terms energy: -362.996356
where:
bonds (distance) C4'-P energy: -115.696
bonds (distance) P-C4' energy: -106.787
flat angles C4'-P-C4' energy: -95.379
flat angles P-C4'-P energy: -49.199
tors. eta vs tors. theta energy: 4.065
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: 270
Temperature: 0.900000
Total energy: -2604.334815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.334815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.334815 (E_RNA)
where:
Base-Base interactions energy: -1806.399
where: short stacking energy: -773.766
Base-Backbone interact. energy: -4.013
local terms energy: -793.923597
where:
bonds (distance) C4'-P energy: -145.647
bonds (distance) P-C4' energy: -154.771
flat angles C4'-P-C4' energy: -152.456
flat angles P-C4'-P energy: -115.033
tors. eta vs tors. theta energy: -226.017
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: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2523.792413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.792413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.792413 (E_RNA)
where:
Base-Base interactions energy: -1748.994
where: short stacking energy: -738.872
Base-Backbone interact. energy: -2.395
local terms energy: -772.403401
where:
bonds (distance) C4'-P energy: -138.664
bonds (distance) P-C4' energy: -147.498
flat angles C4'-P-C4' energy: -170.574
flat angles P-C4'-P energy: -101.305
tors. eta vs tors. theta energy: -214.362
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: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2391.701949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.701949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.701949 (E_RNA)
where:
Base-Base interactions energy: -1646.507
where: short stacking energy: -704.498
Base-Backbone interact. energy: -4.045
local terms energy: -741.149773
where:
bonds (distance) C4'-P energy: -133.596
bonds (distance) P-C4' energy: -144.651
flat angles C4'-P-C4' energy: -157.934
flat angles P-C4'-P energy: -106.528
tors. eta vs tors. theta energy: -198.440
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: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2309.293831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.293831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.293831 (E_RNA)
where:
Base-Base interactions energy: -1565.598
where: short stacking energy: -693.682
Base-Backbone interact. energy: 2.199
local terms energy: -745.894851
where:
bonds (distance) C4'-P energy: -145.692
bonds (distance) P-C4' energy: -125.939
flat angles C4'-P-C4' energy: -157.404
flat angles P-C4'-P energy: -101.580
tors. eta vs tors. theta energy: -215.280
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: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2209.297586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.297586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.297586 (E_RNA)
where:
Base-Base interactions energy: -1490.864
where: short stacking energy: -652.598
Base-Backbone interact. energy: -3.691
local terms energy: -714.742884
where:
bonds (distance) C4'-P energy: -136.239
bonds (distance) P-C4' energy: -136.377
flat angles C4'-P-C4' energy: -148.159
flat angles P-C4'-P energy: -113.529
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: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2046.692684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.692684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.692684 (E_RNA)
where:
Base-Base interactions energy: -1382.001
where: short stacking energy: -608.682
Base-Backbone interact. energy: 2.796
local terms energy: -667.488005
where:
bonds (distance) C4'-P energy: -143.208
bonds (distance) P-C4' energy: -124.250
flat angles C4'-P-C4' energy: -138.905
flat angles P-C4'-P energy: -102.865
tors. eta vs tors. theta energy: -158.261
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: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1987.748226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.748226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.748226 (E_RNA)
where:
Base-Base interactions energy: -1351.327
where: short stacking energy: -575.730
Base-Backbone interact. energy: -3.809
local terms energy: -632.612338
where:
bonds (distance) C4'-P energy: -101.614
bonds (distance) P-C4' energy: -120.627
flat angles C4'-P-C4' energy: -151.903
flat angles P-C4'-P energy: -83.076
tors. eta vs tors. theta energy: -175.393
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: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1670.928282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.928282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.928282 (E_RNA)
where:
Base-Base interactions energy: -1090.231
where: short stacking energy: -493.093
Base-Backbone interact. energy: 4.648
local terms energy: -585.345169
where:
bonds (distance) C4'-P energy: -109.146
bonds (distance) P-C4' energy: -120.842
flat angles C4'-P-C4' energy: -144.037
flat angles P-C4'-P energy: -81.455
tors. eta vs tors. theta energy: -129.865
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: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -933.501044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.501044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.501044 (E_RNA)
where:
Base-Base interactions energy: -505.139
where: short stacking energy: -254.191
Base-Backbone interact. energy: 2.834
local terms energy: -431.196225
where:
bonds (distance) C4'-P energy: -120.148
bonds (distance) P-C4' energy: -127.711
flat angles C4'-P-C4' energy: -114.018
flat angles P-C4'-P energy: -70.027
tors. eta vs tors. theta energy: 0.708
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: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -727.827669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.827669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.827669 (E_RNA)
where:
Base-Base interactions energy: -352.292
where: short stacking energy: -221.311
Base-Backbone interact. energy: -1.072
local terms energy: -374.463876
where:
bonds (distance) C4'-P energy: -115.567
bonds (distance) P-C4' energy: -78.143
flat angles C4'-P-C4' energy: -111.778
flat angles P-C4'-P energy: -48.502
tors. eta vs tors. theta energy: -20.474
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: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2619.457804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.457804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.457804 (E_RNA)
where:
Base-Base interactions energy: -1776.296
where: short stacking energy: -753.059
Base-Backbone interact. energy: -6.256
local terms energy: -836.906629
where:
bonds (distance) C4'-P energy: -144.336
bonds (distance) P-C4' energy: -160.385
flat angles C4'-P-C4' energy: -169.196
flat angles P-C4'-P energy: -127.869
tors. eta vs tors. theta energy: -235.121
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: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2484.370577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.370577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.370577 (E_RNA)
where:
Base-Base interactions energy: -1722.407
where: short stacking energy: -722.963
Base-Backbone interact. energy: -2.362
local terms energy: -759.600857
where:
bonds (distance) C4'-P energy: -139.288
bonds (distance) P-C4' energy: -138.621
flat angles C4'-P-C4' energy: -172.571
flat angles P-C4'-P energy: -107.392
tors. eta vs tors. theta energy: -201.729
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: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2456.500116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.500116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.500116 (E_RNA)
where:
Base-Base interactions energy: -1671.253
where: short stacking energy: -750.961
Base-Backbone interact. energy: -6.580
local terms energy: -778.667595
where:
bonds (distance) C4'-P energy: -134.594
bonds (distance) P-C4' energy: -126.440
flat angles C4'-P-C4' energy: -161.663
flat angles P-C4'-P energy: -128.932
tors. eta vs tors. theta energy: -227.038
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: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2310.894393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.894393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.894393 (E_RNA)
where:
Base-Base interactions energy: -1573.269
where: short stacking energy: -733.000
Base-Backbone interact. energy: -2.244
local terms energy: -735.381625
where:
bonds (distance) C4'-P energy: -113.515
bonds (distance) P-C4' energy: -133.912
flat angles C4'-P-C4' energy: -159.976
flat angles P-C4'-P energy: -107.537
tors. eta vs tors. theta energy: -220.443
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2187.761843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.761843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.761843 (E_RNA)
where:
Base-Base interactions energy: -1478.109
where: short stacking energy: -633.922
Base-Backbone interact. energy: -4.403
local terms energy: -705.250093
where:
bonds (distance) C4'-P energy: -147.211
bonds (distance) P-C4' energy: -117.620
flat angles C4'-P-C4' energy: -166.492
flat angles P-C4'-P energy: -97.501
tors. eta vs tors. theta energy: -176.425
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: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2060.673971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.673971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.673971 (E_RNA)
where:
Base-Base interactions energy: -1380.950
where: short stacking energy: -624.737
Base-Backbone interact. energy: 3.036
local terms energy: -682.760145
where:
bonds (distance) C4'-P energy: -131.570
bonds (distance) P-C4' energy: -118.002
flat angles C4'-P-C4' energy: -159.827
flat angles P-C4'-P energy: -89.363
tors. eta vs tors. theta energy: -183.998
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: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1983.276531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.276531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.276531 (E_RNA)
where:
Base-Base interactions energy: -1338.478
where: short stacking energy: -611.098
Base-Backbone interact. energy: 4.551
local terms energy: -649.349222
where:
bonds (distance) C4'-P energy: -127.402
bonds (distance) P-C4' energy: -123.672
flat angles C4'-P-C4' energy: -143.100
flat angles P-C4'-P energy: -92.003
tors. eta vs tors. theta energy: -163.173
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: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1735.535378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.535378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.535378 (E_RNA)
where:
Base-Base interactions energy: -1176.771
where: short stacking energy: -522.701
Base-Backbone interact. energy: -2.148
local terms energy: -556.616511
where:
bonds (distance) C4'-P energy: -134.421
bonds (distance) P-C4' energy: -113.107
flat angles C4'-P-C4' energy: -112.401
flat angles P-C4'-P energy: -80.924
tors. eta vs tors. theta energy: -115.763
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: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -969.836927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.836927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.836927 (E_RNA)
where:
Base-Base interactions energy: -520.504
where: short stacking energy: -239.551
Base-Backbone interact. energy: 1.706
local terms energy: -451.039502
where:
bonds (distance) C4'-P energy: -130.164
bonds (distance) P-C4' energy: -128.257
flat angles C4'-P-C4' energy: -112.371
flat angles P-C4'-P energy: -59.484
tors. eta vs tors. theta energy: -20.763
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: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -740.515491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.515491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.515491 (E_RNA)
where:
Base-Base interactions energy: -343.919
where: short stacking energy: -201.132
Base-Backbone interact. energy: 0.782
local terms energy: -397.378448
where:
bonds (distance) C4'-P energy: -111.945
bonds (distance) P-C4' energy: -127.606
flat angles C4'-P-C4' energy: -115.076
flat angles P-C4'-P energy: -48.096
tors. eta vs tors. theta energy: 5.345
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: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2617.370759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.370759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.370759 (E_RNA)
where:
Base-Base interactions energy: -1825.154
where: short stacking energy: -774.294
Base-Backbone interact. energy: -2.354
local terms energy: -789.862414
where:
bonds (distance) C4'-P energy: -127.418
bonds (distance) P-C4' energy: -140.749
flat angles C4'-P-C4' energy: -172.445
flat angles P-C4'-P energy: -109.939
tors. eta vs tors. theta energy: -239.311
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: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2501.569780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.569780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.569780 (E_RNA)
where:
Base-Base interactions energy: -1725.319
where: short stacking energy: -718.581
Base-Backbone interact. energy: -5.002
local terms energy: -771.248988
where:
bonds (distance) C4'-P energy: -143.795
bonds (distance) P-C4' energy: -142.536
flat angles C4'-P-C4' energy: -156.804
flat angles P-C4'-P energy: -123.057
tors. eta vs tors. theta energy: -205.057
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: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2412.652415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.652415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.652415 (E_RNA)
where:
Base-Base interactions energy: -1629.169
where: short stacking energy: -739.312
Base-Backbone interact. energy: -3.923
local terms energy: -779.560547
where:
bonds (distance) C4'-P energy: -146.570
bonds (distance) P-C4' energy: -139.311
flat angles C4'-P-C4' energy: -156.135
flat angles P-C4'-P energy: -119.645
tors. eta vs tors. theta energy: -217.900
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: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2293.190562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.190562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.190562 (E_RNA)
where:
Base-Base interactions energy: -1553.069
where: short stacking energy: -708.792
Base-Backbone interact. energy: -4.242
local terms energy: -735.880353
where:
bonds (distance) C4'-P energy: -126.116
bonds (distance) P-C4' energy: -162.149
flat angles C4'-P-C4' energy: -145.299
flat angles P-C4'-P energy: -100.526
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: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2228.239022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.239022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.239022 (E_RNA)
where:
Base-Base interactions energy: -1529.224
where: short stacking energy: -687.861
Base-Backbone interact. energy: -2.948
local terms energy: -696.067204
where:
bonds (distance) C4'-P energy: -117.786
bonds (distance) P-C4' energy: -138.646
flat angles C4'-P-C4' energy: -152.657
flat angles P-C4'-P energy: -97.894
tors. eta vs tors. theta energy: -189.084
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: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2095.732437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.732437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.732437 (E_RNA)
where:
Base-Base interactions energy: -1483.806
where: short stacking energy: -633.715
Base-Backbone interact. energy: -3.056
local terms energy: -608.870666
where:
bonds (distance) C4'-P energy: -110.805
bonds (distance) P-C4' energy: -118.976
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -78.814
tors. eta vs tors. theta energy: -173.839
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: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2016.466589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.466589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.466589 (E_RNA)
where:
Base-Base interactions energy: -1358.165
where: short stacking energy: -607.284
Base-Backbone interact. energy: 1.439
local terms energy: -659.740445
where:
bonds (distance) C4'-P energy: -128.421
bonds (distance) P-C4' energy: -120.948
flat angles C4'-P-C4' energy: -153.224
flat angles P-C4'-P energy: -90.188
tors. eta vs tors. theta energy: -166.961
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: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1677.571407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.571407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.571407 (E_RNA)
where:
Base-Base interactions energy: -1100.976
where: short stacking energy: -463.547
Base-Backbone interact. energy: 1.227
local terms energy: -577.822615
where:
bonds (distance) C4'-P energy: -119.021
bonds (distance) P-C4' energy: -123.304
flat angles C4'-P-C4' energy: -137.488
flat angles P-C4'-P energy: -80.234
tors. eta vs tors. theta energy: -117.776
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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -949.638421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.638421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.638421 (E_RNA)
where:
Base-Base interactions energy: -543.469
where: short stacking energy: -292.878
Base-Backbone interact. energy: -0.094
local terms energy: -406.075487
where:
bonds (distance) C4'-P energy: -96.505
bonds (distance) P-C4' energy: -124.344
flat angles C4'-P-C4' energy: -115.607
flat angles P-C4'-P energy: -56.157
tors. eta vs tors. theta energy: -13.463
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: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -761.796938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.796938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.796938 (E_RNA)
where:
Base-Base interactions energy: -380.350
where: short stacking energy: -221.760
Base-Backbone interact. energy: -0.108
local terms energy: -381.339180
where:
bonds (distance) C4'-P energy: -129.552
bonds (distance) P-C4' energy: -108.106
flat angles C4'-P-C4' energy: -101.241
flat angles P-C4'-P energy: -55.674
tors. eta vs tors. theta energy: 13.234
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: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2618.429894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.429894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.429894 (E_RNA)
where:
Base-Base interactions energy: -1806.775
where: short stacking energy: -735.772
Base-Backbone interact. energy: -4.849
local terms energy: -806.805285
where:
bonds (distance) C4'-P energy: -144.074
bonds (distance) P-C4' energy: -150.472
flat angles C4'-P-C4' energy: -177.763
flat angles P-C4'-P energy: -110.434
tors. eta vs tors. theta energy: -224.061
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: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2506.511305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.511305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.511305 (E_RNA)
where:
Base-Base interactions energy: -1707.726
where: short stacking energy: -732.678
Base-Backbone interact. energy: -0.282
local terms energy: -798.503625
where:
bonds (distance) C4'-P energy: -143.126
bonds (distance) P-C4' energy: -149.927
flat angles C4'-P-C4' energy: -164.854
flat angles P-C4'-P energy: -119.451
tors. eta vs tors. theta energy: -221.147
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: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2402.415846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.415846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.415846 (E_RNA)
where:
Base-Base interactions energy: -1670.613
where: short stacking energy: -744.405
Base-Backbone interact. energy: -4.686
local terms energy: -727.116317
where:
bonds (distance) C4'-P energy: -141.059
bonds (distance) P-C4' energy: -128.467
flat angles C4'-P-C4' energy: -146.982
flat angles P-C4'-P energy: -105.380
tors. eta vs tors. theta energy: -205.229
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: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2256.130052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.130052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.130052 (E_RNA)
where:
Base-Base interactions energy: -1548.415
where: short stacking energy: -689.934
Base-Backbone interact. energy: -3.420
local terms energy: -704.295283
where:
bonds (distance) C4'-P energy: -126.108
bonds (distance) P-C4' energy: -131.509
flat angles C4'-P-C4' energy: -153.016
flat angles P-C4'-P energy: -94.894
tors. eta vs tors. theta energy: -198.768
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2210.364142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.364142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.364142 (E_RNA)
where:
Base-Base interactions energy: -1518.099
where: short stacking energy: -623.152
Base-Backbone interact. energy: -1.456
local terms energy: -690.809071
where:
bonds (distance) C4'-P energy: -129.831
bonds (distance) P-C4' energy: -144.518
flat angles C4'-P-C4' energy: -139.157
flat angles P-C4'-P energy: -92.842
tors. eta vs tors. theta energy: -184.462
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: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2151.442003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.442003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.442003 (E_RNA)
where:
Base-Base interactions energy: -1450.088
where: short stacking energy: -638.718
Base-Backbone interact. energy: -2.329
local terms energy: -699.025023
where:
bonds (distance) C4'-P energy: -130.304
bonds (distance) P-C4' energy: -140.151
flat angles C4'-P-C4' energy: -135.167
flat angles P-C4'-P energy: -106.259
tors. eta vs tors. theta energy: -187.144
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: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2037.046588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.046588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.046588 (E_RNA)
where:
Base-Base interactions energy: -1388.054
where: short stacking energy: -584.365
Base-Backbone interact. energy: -1.739
local terms energy: -647.254245
where:
bonds (distance) C4'-P energy: -122.368
bonds (distance) P-C4' energy: -119.160
flat angles C4'-P-C4' energy: -148.812
flat angles P-C4'-P energy: -85.702
tors. eta vs tors. theta energy: -171.212
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: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1605.760150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.760150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.760150 (E_RNA)
where:
Base-Base interactions energy: -1056.880
where: short stacking energy: -466.636
Base-Backbone interact. energy: 4.376
local terms energy: -553.256355
where:
bonds (distance) C4'-P energy: -122.503
bonds (distance) P-C4' energy: -116.205
flat angles C4'-P-C4' energy: -135.776
flat angles P-C4'-P energy: -92.668
tors. eta vs tors. theta energy: -86.104
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: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -984.445215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.445215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.445215 (E_RNA)
where:
Base-Base interactions energy: -565.093
where: short stacking energy: -297.903
Base-Backbone interact. energy: -0.579
local terms energy: -418.772857
where:
bonds (distance) C4'-P energy: -129.690
bonds (distance) P-C4' energy: -122.024
flat angles C4'-P-C4' energy: -95.159
flat angles P-C4'-P energy: -55.252
tors. eta vs tors. theta energy: -16.648
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: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -792.243302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.243302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.243302 (E_RNA)
where:
Base-Base interactions energy: -379.217
where: short stacking energy: -220.189
Base-Backbone interact. energy: 3.715
local terms energy: -416.740778
where:
bonds (distance) C4'-P energy: -130.302
bonds (distance) P-C4' energy: -131.612
flat angles C4'-P-C4' energy: -113.022
flat angles P-C4'-P energy: -63.882
tors. eta vs tors. theta energy: 22.077
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: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2598.891385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.891385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.891385 (E_RNA)
where:
Base-Base interactions energy: -1792.741
where: short stacking energy: -758.351
Base-Backbone interact. energy: -6.639
local terms energy: -799.510616
where:
bonds (distance) C4'-P energy: -153.700
bonds (distance) P-C4' energy: -145.283
flat angles C4'-P-C4' energy: -160.193
flat angles P-C4'-P energy: -109.020
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: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2495.621956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.621956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.621956 (E_RNA)
where:
Base-Base interactions energy: -1734.994
where: short stacking energy: -730.234
Base-Backbone interact. energy: -1.507
local terms energy: -759.120497
where:
bonds (distance) C4'-P energy: -127.890
bonds (distance) P-C4' energy: -138.602
flat angles C4'-P-C4' energy: -168.555
flat angles P-C4'-P energy: -115.260
tors. eta vs tors. theta energy: -208.814
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: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2456.105332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.105332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.105332 (E_RNA)
where:
Base-Base interactions energy: -1665.718
where: short stacking energy: -725.342
Base-Backbone interact. energy: -4.722
local terms energy: -785.665040
where:
bonds (distance) C4'-P energy: -155.648
bonds (distance) P-C4' energy: -141.602
flat angles C4'-P-C4' energy: -171.928
flat angles P-C4'-P energy: -99.217
tors. eta vs tors. theta energy: -217.270
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: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2272.665589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.665589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.665589 (E_RNA)
where:
Base-Base interactions energy: -1535.237
where: short stacking energy: -679.977
Base-Backbone interact. energy: -0.702
local terms energy: -736.726452
where:
bonds (distance) C4'-P energy: -129.716
bonds (distance) P-C4' energy: -143.587
flat angles C4'-P-C4' energy: -143.893
flat angles P-C4'-P energy: -112.532
tors. eta vs tors. theta energy: -206.999
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: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2193.879939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.879939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.879939 (E_RNA)
where:
Base-Base interactions energy: -1487.946
where: short stacking energy: -644.623
Base-Backbone interact. energy: -0.024
local terms energy: -705.910608
where:
bonds (distance) C4'-P energy: -125.733
bonds (distance) P-C4' energy: -134.398
flat angles C4'-P-C4' energy: -156.797
flat angles P-C4'-P energy: -96.861
tors. eta vs tors. theta energy: -192.122
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: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2168.767445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.767445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.767445 (E_RNA)
where:
Base-Base interactions energy: -1461.786
where: short stacking energy: -623.286
Base-Backbone interact. energy: -5.128
local terms energy: -701.853106
where:
bonds (distance) C4'-P energy: -123.847
bonds (distance) P-C4' energy: -135.225
flat angles C4'-P-C4' energy: -149.521
flat angles P-C4'-P energy: -103.207
tors. eta vs tors. theta energy: -190.053
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: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1981.986761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.986761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.986761 (E_RNA)
where:
Base-Base interactions energy: -1350.928
where: short stacking energy: -574.406
Base-Backbone interact. energy: -2.103
local terms energy: -628.955186
where:
bonds (distance) C4'-P energy: -105.188
bonds (distance) P-C4' energy: -121.459
flat angles C4'-P-C4' energy: -139.925
flat angles P-C4'-P energy: -93.667
tors. eta vs tors. theta energy: -168.717
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: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1554.237628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.237628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.237628 (E_RNA)
where:
Base-Base interactions energy: -1018.102
where: short stacking energy: -468.138
Base-Backbone interact. energy: 0.053
local terms energy: -536.189065
where:
bonds (distance) C4'-P energy: -122.295
bonds (distance) P-C4' energy: -119.483
flat angles C4'-P-C4' energy: -127.322
flat angles P-C4'-P energy: -83.264
tors. eta vs tors. theta energy: -83.824
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: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -926.745757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.745757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.745757 (E_RNA)
where:
Base-Base interactions energy: -493.226
where: short stacking energy: -257.681
Base-Backbone interact. energy: -1.934
local terms energy: -431.586167
where:
bonds (distance) C4'-P energy: -105.365
bonds (distance) P-C4' energy: -117.656
flat angles C4'-P-C4' energy: -110.337
flat angles P-C4'-P energy: -86.886
tors. eta vs tors. theta energy: -11.343
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: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -787.691287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.691287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.691287 (E_RNA)
where:
Base-Base interactions energy: -401.012
where: short stacking energy: -239.897
Base-Backbone interact. energy: -1.435
local terms energy: -385.243681
where:
bonds (distance) C4'-P energy: -120.488
bonds (distance) P-C4' energy: -91.642
flat angles C4'-P-C4' energy: -84.388
flat angles P-C4'-P energy: -87.411
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: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2611.474393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.474393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.474393 (E_RNA)
where:
Base-Base interactions energy: -1823.583
where: short stacking energy: -766.421
Base-Backbone interact. energy: -6.444
local terms energy: -781.447839
where:
bonds (distance) C4'-P energy: -130.374
bonds (distance) P-C4' energy: -149.771
flat angles C4'-P-C4' energy: -158.601
flat angles P-C4'-P energy: -115.915
tors. eta vs tors. theta energy: -226.786
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: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2519.276800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.276800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.276800 (E_RNA)
where:
Base-Base interactions energy: -1733.192
where: short stacking energy: -741.296
Base-Backbone interact. energy: -4.059
local terms energy: -782.025995
where:
bonds (distance) C4'-P energy: -131.664
bonds (distance) P-C4' energy: -143.116
flat angles C4'-P-C4' energy: -171.880
flat angles P-C4'-P energy: -123.985
tors. eta vs tors. theta energy: -211.381
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: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2439.825240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.825240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.825240 (E_RNA)
where:
Base-Base interactions energy: -1670.406
where: short stacking energy: -739.844
Base-Backbone interact. energy: -1.009
local terms energy: -768.410875
where:
bonds (distance) C4'-P energy: -138.789
bonds (distance) P-C4' energy: -138.635
flat angles C4'-P-C4' energy: -157.309
flat angles P-C4'-P energy: -114.365
tors. eta vs tors. theta energy: -219.313
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: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2297.899320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.899320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.899320 (E_RNA)
where:
Base-Base interactions energy: -1577.152
where: short stacking energy: -710.518
Base-Backbone interact. energy: -4.294
local terms energy: -716.453311
where:
bonds (distance) C4'-P energy: -117.508
bonds (distance) P-C4' energy: -139.591
flat angles C4'-P-C4' energy: -153.209
flat angles P-C4'-P energy: -103.355
tors. eta vs tors. theta energy: -202.790
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: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2225.050757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.050757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.050757 (E_RNA)
where:
Base-Base interactions energy: -1503.004
where: short stacking energy: -666.730
Base-Backbone interact. energy: -1.788
local terms energy: -720.258892
where:
bonds (distance) C4'-P energy: -129.333
bonds (distance) P-C4' energy: -127.921
flat angles C4'-P-C4' energy: -146.836
flat angles P-C4'-P energy: -115.729
tors. eta vs tors. theta energy: -200.440
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: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2095.054968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.054968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.054968 (E_RNA)
where:
Base-Base interactions energy: -1401.659
where: short stacking energy: -608.134
Base-Backbone interact. energy: -2.126
local terms energy: -691.269709
where:
bonds (distance) C4'-P energy: -137.790
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -142.066
flat angles P-C4'-P energy: -91.156
tors. eta vs tors. theta energy: -183.802
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: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1953.978959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.978959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.978959 (E_RNA)
where:
Base-Base interactions energy: -1336.931
where: short stacking energy: -584.306
Base-Backbone interact. energy: -1.869
local terms energy: -615.178723
where:
bonds (distance) C4'-P energy: -111.719
bonds (distance) P-C4' energy: -129.388
flat angles C4'-P-C4' energy: -135.736
flat angles P-C4'-P energy: -89.612
tors. eta vs tors. theta energy: -148.723
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: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1556.383273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.383273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.383273 (E_RNA)
where:
Base-Base interactions energy: -1072.325
where: short stacking energy: -458.697
Base-Backbone interact. energy: 1.660
local terms energy: -485.717670
where:
bonds (distance) C4'-P energy: -80.862
bonds (distance) P-C4' energy: -115.366
flat angles C4'-P-C4' energy: -117.734
flat angles P-C4'-P energy: -76.997
tors. eta vs tors. theta energy: -94.759
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: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -961.732358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.732358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.732358 (E_RNA)
where:
Base-Base interactions energy: -502.962
where: short stacking energy: -272.604
Base-Backbone interact. energy: 14.619
local terms energy: -473.389644
where:
bonds (distance) C4'-P energy: -132.828
bonds (distance) P-C4' energy: -123.106
flat angles C4'-P-C4' energy: -104.155
flat angles P-C4'-P energy: -81.463
tors. eta vs tors. theta energy: -31.837
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: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -699.464688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.464688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.464688 (E_RNA)
where:
Base-Base interactions energy: -327.261
where: short stacking energy: -198.103
Base-Backbone interact. energy: -2.658
local terms energy: -369.545687
where:
bonds (distance) C4'-P energy: -117.005
bonds (distance) P-C4' energy: -126.149
flat angles C4'-P-C4' energy: -94.871
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: 10.106
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: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2598.037663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.037663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.037663 (E_RNA)
where:
Base-Base interactions energy: -1765.719
where: short stacking energy: -750.783
Base-Backbone interact. energy: -1.376
local terms energy: -830.941806
where:
bonds (distance) C4'-P energy: -154.992
bonds (distance) P-C4' energy: -157.043
flat angles C4'-P-C4' energy: -181.799
flat angles P-C4'-P energy: -106.866
tors. eta vs tors. theta energy: -230.241
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2534.358652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.358652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.358652 (E_RNA)
where:
Base-Base interactions energy: -1738.071
where: short stacking energy: -736.466
Base-Backbone interact. energy: -3.063
local terms energy: -793.224542
where:
bonds (distance) C4'-P energy: -161.111
bonds (distance) P-C4' energy: -140.158
flat angles C4'-P-C4' energy: -169.605
flat angles P-C4'-P energy: -122.478
tors. eta vs tors. theta energy: -199.873
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: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2442.839805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.839805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.839805 (E_RNA)
where:
Base-Base interactions energy: -1701.328
where: short stacking energy: -730.148
Base-Backbone interact. energy: -2.163
local terms energy: -739.348884
where:
bonds (distance) C4'-P energy: -138.909
bonds (distance) P-C4' energy: -142.943
flat angles C4'-P-C4' energy: -151.134
flat angles P-C4'-P energy: -95.497
tors. eta vs tors. theta energy: -210.865
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: 276
Temperature: 1.050000
Total energy: -2269.142479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.142479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.142479 (E_RNA)
where:
Base-Base interactions energy: -1536.367
where: short stacking energy: -671.159
Base-Backbone interact. energy: -3.681
local terms energy: -729.094886
where:
bonds (distance) C4'-P energy: -134.193
bonds (distance) P-C4' energy: -139.138
flat angles C4'-P-C4' energy: -162.068
flat angles P-C4'-P energy: -103.137
tors. eta vs tors. theta energy: -190.559
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: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2250.905443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.905443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.905443 (E_RNA)
where:
Base-Base interactions energy: -1525.912
where: short stacking energy: -669.475
Base-Backbone interact. energy: 2.168
local terms energy: -727.161379
where:
bonds (distance) C4'-P energy: -138.578
bonds (distance) P-C4' energy: -148.325
flat angles C4'-P-C4' energy: -153.789
flat angles P-C4'-P energy: -94.611
tors. eta vs tors. theta energy: -191.859
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: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2014.634556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.634556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.634556 (E_RNA)
where:
Base-Base interactions energy: -1357.096
where: short stacking energy: -594.528
Base-Backbone interact. energy: -2.051
local terms energy: -655.487169
where:
bonds (distance) C4'-P energy: -121.352
bonds (distance) P-C4' energy: -120.978
flat angles C4'-P-C4' energy: -145.730
flat angles P-C4'-P energy: -91.750
tors. eta vs tors. theta energy: -175.678
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: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2009.391349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.391349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.391349 (E_RNA)
where:
Base-Base interactions energy: -1371.521
where: short stacking energy: -582.965
Base-Backbone interact. energy: -3.162
local terms energy: -634.708470
where:
bonds (distance) C4'-P energy: -118.788
bonds (distance) P-C4' energy: -130.866
flat angles C4'-P-C4' energy: -142.582
flat angles P-C4'-P energy: -82.218
tors. eta vs tors. theta energy: -160.255
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: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1592.859389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.859389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.859389 (E_RNA)
where:
Base-Base interactions energy: -1027.576
where: short stacking energy: -454.751
Base-Backbone interact. energy: 2.744
local terms energy: -568.027235
where:
bonds (distance) C4'-P energy: -134.711
bonds (distance) P-C4' energy: -122.142
flat angles C4'-P-C4' energy: -126.217
flat angles P-C4'-P energy: -73.502
tors. eta vs tors. theta energy: -111.455
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: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -956.015711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.015711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.015711 (E_RNA)
where:
Base-Base interactions energy: -517.889
where: short stacking energy: -288.435
Base-Backbone interact. energy: -0.459
local terms energy: -437.667667
where:
bonds (distance) C4'-P energy: -112.504
bonds (distance) P-C4' energy: -119.449
flat angles C4'-P-C4' energy: -107.303
flat angles P-C4'-P energy: -74.787
tors. eta vs tors. theta energy: -23.625
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: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -664.169458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.169458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.169458 (E_RNA)
where:
Base-Base interactions energy: -289.745
where: short stacking energy: -168.685
Base-Backbone interact. energy: 1.282
local terms energy: -375.706312
where:
bonds (distance) C4'-P energy: -134.455
bonds (distance) P-C4' energy: -116.535
flat angles C4'-P-C4' energy: -95.996
flat angles P-C4'-P energy: -45.223
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: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2587.955287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.955287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.955287 (E_RNA)
where:
Base-Base interactions energy: -1780.413
where: short stacking energy: -754.728
Base-Backbone interact. energy: -2.862
local terms energy: -804.679676
where:
bonds (distance) C4'-P energy: -140.139
bonds (distance) P-C4' energy: -155.151
flat angles C4'-P-C4' energy: -170.796
flat angles P-C4'-P energy: -116.124
tors. eta vs tors. theta energy: -222.471
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: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2502.130119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.130119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.130119 (E_RNA)
where:
Base-Base interactions energy: -1722.948
where: short stacking energy: -725.852
Base-Backbone interact. energy: -2.871
local terms energy: -776.311642
where:
bonds (distance) C4'-P energy: -145.092
bonds (distance) P-C4' energy: -141.548
flat angles C4'-P-C4' energy: -161.665
flat angles P-C4'-P energy: -122.969
tors. eta vs tors. theta energy: -205.038
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: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2426.506091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.506091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.506091 (E_RNA)
where:
Base-Base interactions energy: -1658.259
where: short stacking energy: -738.481
Base-Backbone interact. energy: -3.076
local terms energy: -765.170965
where:
bonds (distance) C4'-P energy: -126.397
bonds (distance) P-C4' energy: -138.856
flat angles C4'-P-C4' energy: -164.825
flat angles P-C4'-P energy: -109.763
tors. eta vs tors. theta energy: -225.330
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: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2343.557700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.557700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.557700 (E_RNA)
where:
Base-Base interactions energy: -1598.303
where: short stacking energy: -667.706
Base-Backbone interact. energy: -2.529
local terms energy: -742.726138
where:
bonds (distance) C4'-P energy: -127.678
bonds (distance) P-C4' energy: -141.421
flat angles C4'-P-C4' energy: -157.164
flat angles P-C4'-P energy: -105.734
tors. eta vs tors. theta energy: -210.728
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: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2179.650609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.650609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.650609 (E_RNA)
where:
Base-Base interactions energy: -1488.190
where: short stacking energy: -649.398
Base-Backbone interact. energy: 0.771
local terms energy: -692.232116
where:
bonds (distance) C4'-P energy: -143.830
bonds (distance) P-C4' energy: -118.983
flat angles C4'-P-C4' energy: -146.955
flat angles P-C4'-P energy: -103.477
tors. eta vs tors. theta energy: -178.988
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: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2057.270515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.270515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.270515 (E_RNA)
where:
Base-Base interactions energy: -1416.573
where: short stacking energy: -613.904
Base-Backbone interact. energy: 0.042
local terms energy: -640.739409
where:
bonds (distance) C4'-P energy: -111.901
bonds (distance) P-C4' energy: -108.090
flat angles C4'-P-C4' energy: -149.526
flat angles P-C4'-P energy: -103.214
tors. eta vs tors. theta energy: -168.007
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: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1994.291396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.291396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.291396 (E_RNA)
where:
Base-Base interactions energy: -1336.129
where: short stacking energy: -548.899
Base-Backbone interact. energy: -2.504
local terms energy: -655.658413
where:
bonds (distance) C4'-P energy: -126.702
bonds (distance) P-C4' energy: -130.279
flat angles C4'-P-C4' energy: -130.282
flat angles P-C4'-P energy: -110.376
tors. eta vs tors. theta energy: -158.019
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: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1657.995037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.995037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.995037 (E_RNA)
where:
Base-Base interactions energy: -1102.826
where: short stacking energy: -470.358
Base-Backbone interact. energy: -1.666
local terms energy: -553.503307
where:
bonds (distance) C4'-P energy: -119.638
bonds (distance) P-C4' energy: -112.014
flat angles C4'-P-C4' energy: -120.275
flat angles P-C4'-P energy: -98.268
tors. eta vs tors. theta energy: -103.309
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: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -806.355213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.355213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.355213 (E_RNA)
where:
Base-Base interactions energy: -400.634
where: short stacking energy: -192.832
Base-Backbone interact. energy: 3.918
local terms energy: -409.639306
where:
bonds (distance) C4'-P energy: -148.531
bonds (distance) P-C4' energy: -117.101
flat angles C4'-P-C4' energy: -109.216
flat angles P-C4'-P energy: -44.618
tors. eta vs tors. theta energy: 9.827
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: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -662.049669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.049669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.049669 (E_RNA)
where:
Base-Base interactions energy: -304.743
where: short stacking energy: -195.317
Base-Backbone interact. energy: 0.615
local terms energy: -357.921483
where:
bonds (distance) C4'-P energy: -119.187
bonds (distance) P-C4' energy: -109.255
flat angles C4'-P-C4' energy: -100.424
flat angles P-C4'-P energy: -59.278
tors. eta vs tors. theta energy: 30.222
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: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2631.963356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.963356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.963356 (E_RNA)
where:
Base-Base interactions energy: -1850.484
where: short stacking energy: -780.379
Base-Backbone interact. energy: -5.982
local terms energy: -775.497602
where:
bonds (distance) C4'-P energy: -120.971
bonds (distance) P-C4' energy: -133.901
flat angles C4'-P-C4' energy: -170.992
flat angles P-C4'-P energy: -124.462
tors. eta vs tors. theta energy: -225.172
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: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2486.947618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.947618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.947618 (E_RNA)
where:
Base-Base interactions energy: -1722.263
where: short stacking energy: -740.668
Base-Backbone interact. energy: -2.978
local terms energy: -761.707019
where:
bonds (distance) C4'-P energy: -140.252
bonds (distance) P-C4' energy: -141.106
flat angles C4'-P-C4' energy: -169.151
flat angles P-C4'-P energy: -98.190
tors. eta vs tors. theta energy: -213.008
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: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2473.054741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.054741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.054741 (E_RNA)
where:
Base-Base interactions energy: -1711.642
where: short stacking energy: -728.210
Base-Backbone interact. energy: -2.376
local terms energy: -759.036412
where:
bonds (distance) C4'-P energy: -134.315
bonds (distance) P-C4' energy: -126.384
flat angles C4'-P-C4' energy: -162.845
flat angles P-C4'-P energy: -113.318
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: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2341.963686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.963686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.963686 (E_RNA)
where:
Base-Base interactions energy: -1582.001
where: short stacking energy: -731.017
Base-Backbone interact. energy: 3.533
local terms energy: -763.495782
where:
bonds (distance) C4'-P energy: -130.299
bonds (distance) P-C4' energy: -144.274
flat angles C4'-P-C4' energy: -160.303
flat angles P-C4'-P energy: -110.833
tors. eta vs tors. theta energy: -217.786
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: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2215.732022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.732022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.732022 (E_RNA)
where:
Base-Base interactions energy: -1490.770
where: short stacking energy: -662.807
Base-Backbone interact. energy: -0.731
local terms energy: -724.230724
where:
bonds (distance) C4'-P energy: -118.114
bonds (distance) P-C4' energy: -135.662
flat angles C4'-P-C4' energy: -164.358
flat angles P-C4'-P energy: -100.415
tors. eta vs tors. theta energy: -205.682
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: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2018.244917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.244917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.244917 (E_RNA)
where:
Base-Base interactions energy: -1325.115
where: short stacking energy: -607.161
Base-Backbone interact. energy: -0.282
local terms energy: -692.847885
where:
bonds (distance) C4'-P energy: -129.279
bonds (distance) P-C4' energy: -135.746
flat angles C4'-P-C4' energy: -154.464
flat angles P-C4'-P energy: -95.959
tors. eta vs tors. theta energy: -177.399
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: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1984.243062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.243062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.243062 (E_RNA)
where:
Base-Base interactions energy: -1327.292
where: short stacking energy: -575.522
Base-Backbone interact. energy: 1.029
local terms energy: -657.980100
where:
bonds (distance) C4'-P energy: -107.136
bonds (distance) P-C4' energy: -135.051
flat angles C4'-P-C4' energy: -155.415
flat angles P-C4'-P energy: -85.635
tors. eta vs tors. theta energy: -174.743
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: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1601.115899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.115899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.115899 (E_RNA)
where:
Base-Base interactions energy: -1080.169
where: short stacking energy: -464.719
Base-Backbone interact. energy: 2.646
local terms energy: -523.592738
where:
bonds (distance) C4'-P energy: -101.971
bonds (distance) P-C4' energy: -112.479
flat angles C4'-P-C4' energy: -117.810
flat angles P-C4'-P energy: -89.688
tors. eta vs tors. theta energy: -101.645
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: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -829.108919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.108919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.108919 (E_RNA)
where:
Base-Base interactions energy: -400.880
where: short stacking energy: -227.546
Base-Backbone interact. energy: 2.591
local terms energy: -430.819297
where:
bonds (distance) C4'-P energy: -139.440
bonds (distance) P-C4' energy: -126.587
flat angles C4'-P-C4' energy: -105.427
flat angles P-C4'-P energy: -53.752
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: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -729.795607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.795607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.795607 (E_RNA)
where:
Base-Base interactions energy: -364.812
where: short stacking energy: -220.178
Base-Backbone interact. energy: 4.438
local terms energy: -369.421133
where:
bonds (distance) C4'-P energy: -117.390
bonds (distance) P-C4' energy: -120.225
flat angles C4'-P-C4' energy: -97.942
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: 8.482
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: 279
Temperature: 0.900000
Total energy: -2626.426285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.426285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.426285 (E_RNA)
where:
Base-Base interactions energy: -1856.595
where: short stacking energy: -773.229
Base-Backbone interact. energy: -0.487
local terms energy: -769.343505
where:
bonds (distance) C4'-P energy: -137.197
bonds (distance) P-C4' energy: -139.493
flat angles C4'-P-C4' energy: -161.978
flat angles P-C4'-P energy: -107.863
tors. eta vs tors. theta energy: -222.813
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: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2561.791026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.791026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.791026 (E_RNA)
where:
Base-Base interactions energy: -1777.475
where: short stacking energy: -778.422
Base-Backbone interact. energy: -2.342
local terms energy: -781.973839
where:
bonds (distance) C4'-P energy: -143.739
bonds (distance) P-C4' energy: -138.035
flat angles C4'-P-C4' energy: -166.931
flat angles P-C4'-P energy: -111.371
tors. eta vs tors. theta energy: -221.898
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: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2456.223929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.223929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.223929 (E_RNA)
where:
Base-Base interactions energy: -1716.373
where: short stacking energy: -727.212
Base-Backbone interact. energy: -3.323
local terms energy: -736.527319
where:
bonds (distance) C4'-P energy: -147.522
bonds (distance) P-C4' energy: -120.015
flat angles C4'-P-C4' energy: -159.955
flat angles P-C4'-P energy: -99.649
tors. eta vs tors. theta energy: -209.386
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: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2323.912998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.912998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.912998 (E_RNA)
where:
Base-Base interactions energy: -1558.946
where: short stacking energy: -719.000
Base-Backbone interact. energy: -0.563
local terms energy: -764.404746
where:
bonds (distance) C4'-P energy: -117.397
bonds (distance) P-C4' energy: -148.977
flat angles C4'-P-C4' energy: -167.598
flat angles P-C4'-P energy: -118.461
tors. eta vs tors. theta energy: -211.971
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: 279
Temperature: 1.100000
Total energy: -2194.218915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.218915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.218915 (E_RNA)
where:
Base-Base interactions energy: -1506.620
where: short stacking energy: -646.535
Base-Backbone interact. energy: 2.678
local terms energy: -690.277017
where:
bonds (distance) C4'-P energy: -135.952
bonds (distance) P-C4' energy: -133.640
flat angles C4'-P-C4' energy: -126.698
flat angles P-C4'-P energy: -94.985
tors. eta vs tors. theta energy: -199.003
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: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2031.129259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.129259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.129259 (E_RNA)
where:
Base-Base interactions energy: -1371.570
where: short stacking energy: -614.197
Base-Backbone interact. energy: 2.484
local terms energy: -662.043508
where:
bonds (distance) C4'-P energy: -118.935
bonds (distance) P-C4' energy: -132.382
flat angles C4'-P-C4' energy: -148.008
flat angles P-C4'-P energy: -90.405
tors. eta vs tors. theta energy: -172.313
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: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1905.570581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.570581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.570581 (E_RNA)
where:
Base-Base interactions energy: -1311.681
where: short stacking energy: -565.985
Base-Backbone interact. energy: -2.829
local terms energy: -591.060514
where:
bonds (distance) C4'-P energy: -117.753
bonds (distance) P-C4' energy: -103.696
flat angles C4'-P-C4' energy: -137.636
flat angles P-C4'-P energy: -76.104
tors. eta vs tors. theta energy: -155.871
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: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1618.764269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.764269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.764269 (E_RNA)
where:
Base-Base interactions energy: -1065.265
where: short stacking energy: -457.496
Base-Backbone interact. energy: -2.095
local terms energy: -551.403988
where:
bonds (distance) C4'-P energy: -109.973
bonds (distance) P-C4' energy: -128.325
flat angles C4'-P-C4' energy: -124.456
flat angles P-C4'-P energy: -80.012
tors. eta vs tors. theta energy: -108.638
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: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -870.437162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.437162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.437162 (E_RNA)
where:
Base-Base interactions energy: -481.479
where: short stacking energy: -270.208
Base-Backbone interact. energy: -2.863
local terms energy: -386.095267
where:
bonds (distance) C4'-P energy: -94.410
bonds (distance) P-C4' energy: -110.717
flat angles C4'-P-C4' energy: -114.637
flat angles P-C4'-P energy: -53.992
tors. eta vs tors. theta energy: -12.341
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: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -716.296203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.296203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.296203 (E_RNA)
where:
Base-Base interactions energy: -348.182
where: short stacking energy: -199.280
Base-Backbone interact. energy: 5.375
local terms energy: -373.489505
where:
bonds (distance) C4'-P energy: -116.819
bonds (distance) P-C4' energy: -110.915
flat angles C4'-P-C4' energy: -106.590
flat angles P-C4'-P energy: -57.823
tors. eta vs tors. theta energy: 18.658
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: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2621.192018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.192018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.192018 (E_RNA)
where:
Base-Base interactions energy: -1819.391
where: short stacking energy: -777.226
Base-Backbone interact. energy: -7.078
local terms energy: -794.722957
where:
bonds (distance) C4'-P energy: -139.954
bonds (distance) P-C4' energy: -151.170
flat angles C4'-P-C4' energy: -158.955
flat angles P-C4'-P energy: -119.932
tors. eta vs tors. theta energy: -224.711
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: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2496.598417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.598417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.598417 (E_RNA)
where:
Base-Base interactions energy: -1691.887
where: short stacking energy: -745.565
Base-Backbone interact. energy: -4.808
local terms energy: -799.904160
where:
bonds (distance) C4'-P energy: -154.436
bonds (distance) P-C4' energy: -132.625
flat angles C4'-P-C4' energy: -168.962
flat angles P-C4'-P energy: -120.453
tors. eta vs tors. theta energy: -223.429
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: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2440.839565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.839565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.839565 (E_RNA)
where:
Base-Base interactions energy: -1708.933
where: short stacking energy: -706.035
Base-Backbone interact. energy: 4.715
local terms energy: -736.621164
where:
bonds (distance) C4'-P energy: -123.313
bonds (distance) P-C4' energy: -143.922
flat angles C4'-P-C4' energy: -161.671
flat angles P-C4'-P energy: -109.398
tors. eta vs tors. theta energy: -198.317
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: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2330.094491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.094491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.094491 (E_RNA)
where:
Base-Base interactions energy: -1616.978
where: short stacking energy: -680.638
Base-Backbone interact. energy: -2.105
local terms energy: -711.011344
where:
bonds (distance) C4'-P energy: -130.303
bonds (distance) P-C4' energy: -141.127
flat angles C4'-P-C4' energy: -148.456
flat angles P-C4'-P energy: -94.202
tors. eta vs tors. theta energy: -196.924
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: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2197.066536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.066536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.066536 (E_RNA)
where:
Base-Base interactions energy: -1472.238
where: short stacking energy: -634.208
Base-Backbone interact. energy: -1.164
local terms energy: -723.663968
where:
bonds (distance) C4'-P energy: -126.334
bonds (distance) P-C4' energy: -149.295
flat angles C4'-P-C4' energy: -156.817
flat angles P-C4'-P energy: -105.464
tors. eta vs tors. theta energy: -185.755
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: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2022.089753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.089753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.089753 (E_RNA)
where:
Base-Base interactions energy: -1382.082
where: short stacking energy: -584.028
Base-Backbone interact. energy: -1.624
local terms energy: -638.383737
where:
bonds (distance) C4'-P energy: -127.690
bonds (distance) P-C4' energy: -129.506
flat angles C4'-P-C4' energy: -140.786
flat angles P-C4'-P energy: -85.538
tors. eta vs tors. theta energy: -154.865
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: 280
Temperature: 1.200000
Total energy: -1869.840170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.840170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.840170 (E_RNA)
where:
Base-Base interactions energy: -1264.989
where: short stacking energy: -529.285
Base-Backbone interact. energy: -3.311
local terms energy: -601.540248
where:
bonds (distance) C4'-P energy: -110.425
bonds (distance) P-C4' energy: -118.837
flat angles C4'-P-C4' energy: -140.274
flat angles P-C4'-P energy: -84.115
tors. eta vs tors. theta energy: -147.889
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: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1623.447696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.447696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.447696 (E_RNA)
where:
Base-Base interactions energy: -1086.106
where: short stacking energy: -455.926
Base-Backbone interact. energy: -1.206
local terms energy: -536.135662
where:
bonds (distance) C4'-P energy: -115.384
bonds (distance) P-C4' energy: -128.666
flat angles C4'-P-C4' energy: -127.468
flat angles P-C4'-P energy: -75.445
tors. eta vs tors. theta energy: -89.172
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: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -833.129518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.129518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.129518 (E_RNA)
where:
Base-Base interactions energy: -417.032
where: short stacking energy: -234.296
Base-Backbone interact. energy: 2.432
local terms energy: -418.529156
where:
bonds (distance) C4'-P energy: -117.287
bonds (distance) P-C4' energy: -116.126
flat angles C4'-P-C4' energy: -112.265
flat angles P-C4'-P energy: -48.933
tors. eta vs tors. theta energy: -23.918
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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -702.133578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.133578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.133578 (E_RNA)
where:
Base-Base interactions energy: -314.252
where: short stacking energy: -208.407
Base-Backbone interact. energy: -2.163
local terms energy: -385.718886
where:
bonds (distance) C4'-P energy: -128.033
bonds (distance) P-C4' energy: -117.463
flat angles C4'-P-C4' energy: -83.118
flat angles P-C4'-P energy: -50.802
tors. eta vs tors. theta energy: -6.303
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: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2636.088996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.088996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.088996 (E_RNA)
where:
Base-Base interactions energy: -1843.714
where: short stacking energy: -780.526
Base-Backbone interact. energy: -3.481
local terms energy: -788.894377
where:
bonds (distance) C4'-P energy: -134.004
bonds (distance) P-C4' energy: -150.250
flat angles C4'-P-C4' energy: -175.012
flat angles P-C4'-P energy: -107.850
tors. eta vs tors. theta energy: -221.778
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: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2501.919480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.919480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.919480 (E_RNA)
where:
Base-Base interactions energy: -1713.321
where: short stacking energy: -751.269
Base-Backbone interact. energy: -4.199
local terms energy: -784.400179
where:
bonds (distance) C4'-P energy: -140.040
bonds (distance) P-C4' energy: -149.009
flat angles C4'-P-C4' energy: -169.823
flat angles P-C4'-P energy: -102.987
tors. eta vs tors. theta energy: -222.542
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: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2406.449183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.449183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.449183 (E_RNA)
where:
Base-Base interactions energy: -1676.232
where: short stacking energy: -712.569
Base-Backbone interact. energy: 0.667
local terms energy: -730.885144
where:
bonds (distance) C4'-P energy: -138.173
bonds (distance) P-C4' energy: -128.398
flat angles C4'-P-C4' energy: -147.891
flat angles P-C4'-P energy: -117.591
tors. eta vs tors. theta energy: -198.833
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: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2345.215770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.215770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.215770 (E_RNA)
where:
Base-Base interactions energy: -1641.947
where: short stacking energy: -713.681
Base-Backbone interact. energy: -4.108
local terms energy: -699.160956
where:
bonds (distance) C4'-P energy: -111.244
bonds (distance) P-C4' energy: -121.009
flat angles C4'-P-C4' energy: -149.746
flat angles P-C4'-P energy: -105.773
tors. eta vs tors. theta energy: -211.389
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: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2244.927630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.927630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.927630 (E_RNA)
where:
Base-Base interactions energy: -1540.937
where: short stacking energy: -679.880
Base-Backbone interact. energy: -3.637
local terms energy: -700.354278
where:
bonds (distance) C4'-P energy: -122.541
bonds (distance) P-C4' energy: -133.503
flat angles C4'-P-C4' energy: -144.842
flat angles P-C4'-P energy: -100.964
tors. eta vs tors. theta energy: -198.503
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: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2027.288080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.288080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.288080 (E_RNA)
where:
Base-Base interactions energy: -1390.989
where: short stacking energy: -595.817
Base-Backbone interact. energy: -0.878
local terms energy: -635.421939
where:
bonds (distance) C4'-P energy: -122.293
bonds (distance) P-C4' energy: -133.862
flat angles C4'-P-C4' energy: -129.537
flat angles P-C4'-P energy: -87.708
tors. eta vs tors. theta energy: -162.022
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: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1872.781152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.781152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.781152 (E_RNA)
where:
Base-Base interactions energy: -1247.537
where: short stacking energy: -552.651
Base-Backbone interact. energy: 0.287
local terms energy: -625.530253
where:
bonds (distance) C4'-P energy: -136.265
bonds (distance) P-C4' energy: -130.139
flat angles C4'-P-C4' energy: -128.857
flat angles P-C4'-P energy: -95.372
tors. eta vs tors. theta energy: -134.897
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: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1683.897298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.897298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.897298 (E_RNA)
where:
Base-Base interactions energy: -1102.590
where: short stacking energy: -484.334
Base-Backbone interact. energy: -2.241
local terms energy: -579.066068
where:
bonds (distance) C4'-P energy: -121.221
bonds (distance) P-C4' energy: -115.482
flat angles C4'-P-C4' energy: -130.686
flat angles P-C4'-P energy: -98.687
tors. eta vs tors. theta energy: -112.989
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: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -866.279814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.279814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.279814 (E_RNA)
where:
Base-Base interactions energy: -435.168
where: short stacking energy: -264.156
Base-Backbone interact. energy: 1.814
local terms energy: -432.926768
where:
bonds (distance) C4'-P energy: -122.310
bonds (distance) P-C4' energy: -118.741
flat angles C4'-P-C4' energy: -87.900
flat angles P-C4'-P energy: -82.851
tors. eta vs tors. theta energy: -21.124
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: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -810.082196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.082196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.082196 (E_RNA)
where:
Base-Base interactions energy: -430.409
where: short stacking energy: -251.881
Base-Backbone interact. energy: 5.498
local terms energy: -385.171677
where:
bonds (distance) C4'-P energy: -84.278
bonds (distance) P-C4' energy: -120.020
flat angles C4'-P-C4' energy: -112.336
flat angles P-C4'-P energy: -62.613
tors. eta vs tors. theta energy: -5.925
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: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2601.662181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.662181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.662181 (E_RNA)
where:
Base-Base interactions energy: -1821.600
where: short stacking energy: -744.547
Base-Backbone interact. energy: -3.165
local terms energy: -776.897608
where:
bonds (distance) C4'-P energy: -136.919
bonds (distance) P-C4' energy: -146.973
flat angles C4'-P-C4' energy: -163.354
flat angles P-C4'-P energy: -111.157
tors. eta vs tors. theta energy: -218.494
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: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2498.252416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.252416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.252416 (E_RNA)
where:
Base-Base interactions energy: -1716.888
where: short stacking energy: -750.845
Base-Backbone interact. energy: -1.265
local terms energy: -780.099128
where:
bonds (distance) C4'-P energy: -145.752
bonds (distance) P-C4' energy: -146.483
flat angles C4'-P-C4' energy: -156.974
flat angles P-C4'-P energy: -119.284
tors. eta vs tors. theta energy: -211.605
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: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2458.275191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.275191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.275191 (E_RNA)
where:
Base-Base interactions energy: -1714.534
where: short stacking energy: -705.914
Base-Backbone interact. energy: -2.416
local terms energy: -741.325944
where:
bonds (distance) C4'-P energy: -130.601
bonds (distance) P-C4' energy: -144.228
flat angles C4'-P-C4' energy: -156.451
flat angles P-C4'-P energy: -108.856
tors. eta vs tors. theta energy: -201.190
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: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2363.925419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.925419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.925419 (E_RNA)
where:
Base-Base interactions energy: -1589.212
where: short stacking energy: -696.861
Base-Backbone interact. energy: 0.868
local terms energy: -775.581778
where:
bonds (distance) C4'-P energy: -141.621
bonds (distance) P-C4' energy: -141.150
flat angles C4'-P-C4' energy: -156.725
flat angles P-C4'-P energy: -114.040
tors. eta vs tors. theta energy: -222.045
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: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2211.783675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.783675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.783675 (E_RNA)
where:
Base-Base interactions energy: -1492.694
where: short stacking energy: -675.336
Base-Backbone interact. energy: -1.759
local terms energy: -717.330783
where:
bonds (distance) C4'-P energy: -131.196
bonds (distance) P-C4' energy: -128.525
flat angles C4'-P-C4' energy: -155.877
flat angles P-C4'-P energy: -101.932
tors. eta vs tors. theta energy: -199.801
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: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2112.985885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.985885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.985885 (E_RNA)
where:
Base-Base interactions energy: -1444.717
where: short stacking energy: -621.989
Base-Backbone interact. energy: -0.046
local terms energy: -668.222716
where:
bonds (distance) C4'-P energy: -135.017
bonds (distance) P-C4' energy: -128.488
flat angles C4'-P-C4' energy: -130.028
flat angles P-C4'-P energy: -95.242
tors. eta vs tors. theta energy: -179.448
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: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1881.896487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.896487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.896487 (E_RNA)
where:
Base-Base interactions energy: -1270.751
where: short stacking energy: -579.617
Base-Backbone interact. energy: 0.348
local terms energy: -611.493421
where:
bonds (distance) C4'-P energy: -124.329
bonds (distance) P-C4' energy: -125.859
flat angles C4'-P-C4' energy: -130.965
flat angles P-C4'-P energy: -76.261
tors. eta vs tors. theta energy: -154.079
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: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1676.982334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.982334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.982334 (E_RNA)
where:
Base-Base interactions energy: -1112.566
where: short stacking energy: -475.878
Base-Backbone interact. energy: -2.194
local terms energy: -562.221839
where:
bonds (distance) C4'-P energy: -117.578
bonds (distance) P-C4' energy: -119.944
flat angles C4'-P-C4' energy: -125.130
flat angles P-C4'-P energy: -88.536
tors. eta vs tors. theta energy: -111.034
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: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -843.463958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.463958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.463958 (E_RNA)
where:
Base-Base interactions energy: -407.398
where: short stacking energy: -260.188
Base-Backbone interact. energy: -2.590
local terms energy: -433.476545
where:
bonds (distance) C4'-P energy: -124.187
bonds (distance) P-C4' energy: -112.077
flat angles C4'-P-C4' energy: -124.220
flat angles P-C4'-P energy: -49.376
tors. eta vs tors. theta energy: -23.617
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: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -785.917859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.917859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.917859 (E_RNA)
where:
Base-Base interactions energy: -389.326
where: short stacking energy: -201.279
Base-Backbone interact. energy: -3.067
local terms energy: -393.525208
where:
bonds (distance) C4'-P energy: -111.318
bonds (distance) P-C4' energy: -127.447
flat angles C4'-P-C4' energy: -101.202
flat angles P-C4'-P energy: -59.232
tors. eta vs tors. theta energy: 5.674
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: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2601.980088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.980088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.980088 (E_RNA)
where:
Base-Base interactions energy: -1799.246
where: short stacking energy: -753.225
Base-Backbone interact. energy: -5.513
local terms energy: -797.221206
where:
bonds (distance) C4'-P energy: -133.734
bonds (distance) P-C4' energy: -162.251
flat angles C4'-P-C4' energy: -164.287
flat angles P-C4'-P energy: -104.933
tors. eta vs tors. theta energy: -232.016
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: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2473.467724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.467724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.467724 (E_RNA)
where:
Base-Base interactions energy: -1730.899
where: short stacking energy: -733.398
Base-Backbone interact. energy: 2.877
local terms energy: -745.445313
where:
bonds (distance) C4'-P energy: -134.988
bonds (distance) P-C4' energy: -123.554
flat angles C4'-P-C4' energy: -163.190
flat angles P-C4'-P energy: -119.802
tors. eta vs tors. theta energy: -203.911
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: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2464.749473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.749473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.749473 (E_RNA)
where:
Base-Base interactions energy: -1686.400
where: short stacking energy: -742.626
Base-Backbone interact. energy: -3.046
local terms energy: -775.302710
where:
bonds (distance) C4'-P energy: -131.553
bonds (distance) P-C4' energy: -139.699
flat angles C4'-P-C4' energy: -163.240
flat angles P-C4'-P energy: -122.595
tors. eta vs tors. theta energy: -218.215
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: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2409.331651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.331651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.331651 (E_RNA)
where:
Base-Base interactions energy: -1647.411
where: short stacking energy: -720.105
Base-Backbone interact. energy: 1.568
local terms energy: -763.488274
where:
bonds (distance) C4'-P energy: -126.573
bonds (distance) P-C4' energy: -143.222
flat angles C4'-P-C4' energy: -171.819
flat angles P-C4'-P energy: -103.039
tors. eta vs tors. theta energy: -218.835
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: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2228.402688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.402688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.402688 (E_RNA)
where:
Base-Base interactions energy: -1518.558
where: short stacking energy: -669.157
Base-Backbone interact. energy: -2.139
local terms energy: -707.705553
where:
bonds (distance) C4'-P energy: -119.873
bonds (distance) P-C4' energy: -131.856
flat angles C4'-P-C4' energy: -154.134
flat angles P-C4'-P energy: -98.216
tors. eta vs tors. theta energy: -203.625
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: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2101.646461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.646461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.646461 (E_RNA)
where:
Base-Base interactions energy: -1441.096
where: short stacking energy: -604.193
Base-Backbone interact. energy: -5.536
local terms energy: -655.014556
where:
bonds (distance) C4'-P energy: -114.726
bonds (distance) P-C4' energy: -127.807
flat angles C4'-P-C4' energy: -147.280
flat angles P-C4'-P energy: -82.344
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: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1857.835332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.835332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.835332 (E_RNA)
where:
Base-Base interactions energy: -1258.920
where: short stacking energy: -540.949
Base-Backbone interact. energy: 2.597
local terms energy: -601.512808
where:
bonds (distance) C4'-P energy: -120.974
bonds (distance) P-C4' energy: -112.038
flat angles C4'-P-C4' energy: -127.360
flat angles P-C4'-P energy: -84.338
tors. eta vs tors. theta energy: -156.804
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1643.685928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.685928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.685928 (E_RNA)
where:
Base-Base interactions energy: -1103.077
where: short stacking energy: -459.625
Base-Backbone interact. energy: 3.168
local terms energy: -543.777206
where:
bonds (distance) C4'-P energy: -125.300
bonds (distance) P-C4' energy: -125.965
flat angles C4'-P-C4' energy: -127.748
flat angles P-C4'-P energy: -67.217
tors. eta vs tors. theta energy: -97.548
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: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -998.371832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.371832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.371832 (E_RNA)
where:
Base-Base interactions energy: -551.755
where: short stacking energy: -285.804
Base-Backbone interact. energy: -1.327
local terms energy: -445.289832
where:
bonds (distance) C4'-P energy: -98.850
bonds (distance) P-C4' energy: -145.018
flat angles C4'-P-C4' energy: -119.418
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -35.649
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: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -863.710118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.710118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.710118 (E_RNA)
where:
Base-Base interactions energy: -458.941
where: short stacking energy: -248.956
Base-Backbone interact. energy: 2.168
local terms energy: -406.936837
where:
bonds (distance) C4'-P energy: -117.692
bonds (distance) P-C4' energy: -113.636
flat angles C4'-P-C4' energy: -112.142
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: -11.441
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: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2633.013699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.013699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.013699 (E_RNA)
where:
Base-Base interactions energy: -1844.129
where: short stacking energy: -758.060
Base-Backbone interact. energy: -2.740
local terms energy: -786.144851
where:
bonds (distance) C4'-P energy: -134.556
bonds (distance) P-C4' energy: -156.644
flat angles C4'-P-C4' energy: -163.289
flat angles P-C4'-P energy: -113.522
tors. eta vs tors. theta energy: -218.134
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: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2506.182549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.182549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.182549 (E_RNA)
where:
Base-Base interactions energy: -1740.355
where: short stacking energy: -720.461
Base-Backbone interact. energy: 3.091
local terms energy: -768.917798
where:
bonds (distance) C4'-P energy: -144.795
bonds (distance) P-C4' energy: -141.534
flat angles C4'-P-C4' energy: -150.632
flat angles P-C4'-P energy: -118.913
tors. eta vs tors. theta energy: -213.043
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: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2433.465131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.465131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.465131 (E_RNA)
where:
Base-Base interactions energy: -1681.285
where: short stacking energy: -731.769
Base-Backbone interact. energy: -0.385
local terms energy: -751.795483
where:
bonds (distance) C4'-P energy: -136.464
bonds (distance) P-C4' energy: -133.247
flat angles C4'-P-C4' energy: -165.680
flat angles P-C4'-P energy: -96.583
tors. eta vs tors. theta energy: -219.822
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: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2375.184246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.184246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.184246 (E_RNA)
where:
Base-Base interactions energy: -1638.521
where: short stacking energy: -733.292
Base-Backbone interact. energy: 0.366
local terms energy: -737.028992
where:
bonds (distance) C4'-P energy: -118.657
bonds (distance) P-C4' energy: -137.571
flat angles C4'-P-C4' energy: -162.535
flat angles P-C4'-P energy: -110.592
tors. eta vs tors. theta energy: -207.673
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: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2206.147778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.147778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.147778 (E_RNA)
where:
Base-Base interactions energy: -1522.260
where: short stacking energy: -663.852
Base-Backbone interact. energy: -2.016
local terms energy: -681.871643
where:
bonds (distance) C4'-P energy: -120.171
bonds (distance) P-C4' energy: -130.826
flat angles C4'-P-C4' energy: -132.281
flat angles P-C4'-P energy: -108.130
tors. eta vs tors. theta energy: -190.463
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: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2131.803263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.803263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.803263 (E_RNA)
where:
Base-Base interactions energy: -1452.422
where: short stacking energy: -652.519
Base-Backbone interact. energy: -1.060
local terms energy: -678.321924
where:
bonds (distance) C4'-P energy: -119.868
bonds (distance) P-C4' energy: -124.040
flat angles C4'-P-C4' energy: -139.107
flat angles P-C4'-P energy: -105.728
tors. eta vs tors. theta energy: -189.579
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: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1828.804214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.804214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.804214 (E_RNA)
where:
Base-Base interactions energy: -1222.991
where: short stacking energy: -550.223
Base-Backbone interact. energy: -0.927
local terms energy: -604.885902
where:
bonds (distance) C4'-P energy: -114.718
bonds (distance) P-C4' energy: -126.217
flat angles C4'-P-C4' energy: -147.311
flat angles P-C4'-P energy: -77.858
tors. eta vs tors. theta energy: -138.782
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: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1622.437126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.437126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.437126 (E_RNA)
where:
Base-Base interactions energy: -1090.565
where: short stacking energy: -468.668
Base-Backbone interact. energy: -2.287
local terms energy: -529.584384
where:
bonds (distance) C4'-P energy: -92.124
bonds (distance) P-C4' energy: -131.235
flat angles C4'-P-C4' energy: -118.295
flat angles P-C4'-P energy: -83.471
tors. eta vs tors. theta energy: -104.459
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: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -984.009594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.009594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.009594 (E_RNA)
where:
Base-Base interactions energy: -568.498
where: short stacking energy: -266.797
Base-Backbone interact. energy: 0.697
local terms energy: -416.208961
where:
bonds (distance) C4'-P energy: -114.623
bonds (distance) P-C4' energy: -127.924
flat angles C4'-P-C4' energy: -97.249
flat angles P-C4'-P energy: -67.732
tors. eta vs tors. theta energy: -8.681
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: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -835.212702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.212702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.212702 (E_RNA)
where:
Base-Base interactions energy: -418.617
where: short stacking energy: -224.884
Base-Backbone interact. energy: 5.097
local terms energy: -421.693287
where:
bonds (distance) C4'-P energy: -111.359
bonds (distance) P-C4' energy: -124.325
flat angles C4'-P-C4' energy: -109.481
flat angles P-C4'-P energy: -80.589
tors. eta vs tors. theta energy: 4.061
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: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2611.875848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.875848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.875848 (E_RNA)
where:
Base-Base interactions energy: -1793.826
where: short stacking energy: -769.710
Base-Backbone interact. energy: -3.412
local terms energy: -814.637295
where:
bonds (distance) C4'-P energy: -150.498
bonds (distance) P-C4' energy: -154.463
flat angles C4'-P-C4' energy: -170.427
flat angles P-C4'-P energy: -108.875
tors. eta vs tors. theta energy: -230.374
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: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2520.658469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.658469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.658469 (E_RNA)
where:
Base-Base interactions energy: -1756.917
where: short stacking energy: -726.963
Base-Backbone interact. energy: 1.470
local terms energy: -765.210782
where:
bonds (distance) C4'-P energy: -139.252
bonds (distance) P-C4' energy: -142.322
flat angles C4'-P-C4' energy: -162.129
flat angles P-C4'-P energy: -105.888
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: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2459.146785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.146785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.146785 (E_RNA)
where:
Base-Base interactions energy: -1660.448
where: short stacking energy: -713.321
Base-Backbone interact. energy: -2.878
local terms energy: -795.821008
where:
bonds (distance) C4'-P energy: -153.369
bonds (distance) P-C4' energy: -147.557
flat angles C4'-P-C4' energy: -160.919
flat angles P-C4'-P energy: -115.196
tors. eta vs tors. theta energy: -218.780
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: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2402.955030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.955030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.955030 (E_RNA)
where:
Base-Base interactions energy: -1653.273
where: short stacking energy: -717.279
Base-Backbone interact. energy: -1.478
local terms energy: -748.204689
where:
bonds (distance) C4'-P energy: -139.500
bonds (distance) P-C4' energy: -137.062
flat angles C4'-P-C4' energy: -145.520
flat angles P-C4'-P energy: -105.803
tors. eta vs tors. theta energy: -220.319
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: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2194.754633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.754633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.754633 (E_RNA)
where:
Base-Base interactions energy: -1472.120
where: short stacking energy: -661.105
Base-Backbone interact. energy: -3.593
local terms energy: -719.041613
where:
bonds (distance) C4'-P energy: -125.779
bonds (distance) P-C4' energy: -125.203
flat angles C4'-P-C4' energy: -164.686
flat angles P-C4'-P energy: -105.382
tors. eta vs tors. theta energy: -197.992
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: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2211.481430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.481430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.481430 (E_RNA)
where:
Base-Base interactions energy: -1542.935
where: short stacking energy: -658.843
Base-Backbone interact. energy: -1.399
local terms energy: -667.147656
where:
bonds (distance) C4'-P energy: -120.930
bonds (distance) P-C4' energy: -123.971
flat angles C4'-P-C4' energy: -151.078
flat angles P-C4'-P energy: -85.821
tors. eta vs tors. theta energy: -185.348
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: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1848.648709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.648709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.648709 (E_RNA)
where:
Base-Base interactions energy: -1257.651
where: short stacking energy: -550.415
Base-Backbone interact. energy: -0.346
local terms energy: -590.651805
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -114.039
flat angles C4'-P-C4' energy: -143.251
flat angles P-C4'-P energy: -83.744
tors. eta vs tors. theta energy: -133.401
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: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1738.316704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.316704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.316704 (E_RNA)
where:
Base-Base interactions energy: -1181.371
where: short stacking energy: -521.921
Base-Backbone interact. energy: -2.773
local terms energy: -554.172747
where:
bonds (distance) C4'-P energy: -114.882
bonds (distance) P-C4' energy: -103.194
flat angles C4'-P-C4' energy: -130.998
flat angles P-C4'-P energy: -74.679
tors. eta vs tors. theta energy: -130.420
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: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1011.901481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.901481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.901481 (E_RNA)
where:
Base-Base interactions energy: -565.446
where: short stacking energy: -259.321
Base-Backbone interact. energy: 0.656
local terms energy: -447.111905
where:
bonds (distance) C4'-P energy: -107.231
bonds (distance) P-C4' energy: -112.176
flat angles C4'-P-C4' energy: -127.309
flat angles P-C4'-P energy: -73.358
tors. eta vs tors. theta energy: -27.037
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: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -877.884124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.884124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.884124 (E_RNA)
where:
Base-Base interactions energy: -482.700
where: short stacking energy: -256.106
Base-Backbone interact. energy: 0.003
local terms energy: -395.187022
where:
bonds (distance) C4'-P energy: -105.753
bonds (distance) P-C4' energy: -128.296
flat angles C4'-P-C4' energy: -98.636
flat angles P-C4'-P energy: -64.330
tors. eta vs tors. theta energy: 1.827
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: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2590.628063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.628063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.628063 (E_RNA)
where:
Base-Base interactions energy: -1802.811
where: short stacking energy: -739.855
Base-Backbone interact. energy: -1.447
local terms energy: -786.370401
where:
bonds (distance) C4'-P energy: -143.136
bonds (distance) P-C4' energy: -164.693
flat angles C4'-P-C4' energy: -162.867
flat angles P-C4'-P energy: -105.626
tors. eta vs tors. theta energy: -210.048
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: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2508.760295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.760295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.760295 (E_RNA)
where:
Base-Base interactions energy: -1742.118
where: short stacking energy: -741.336
Base-Backbone interact. energy: -2.024
local terms energy: -764.618744
where:
bonds (distance) C4'-P energy: -133.903
bonds (distance) P-C4' energy: -141.708
flat angles C4'-P-C4' energy: -159.485
flat angles P-C4'-P energy: -110.420
tors. eta vs tors. theta energy: -219.102
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: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2432.362264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.362264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.362264 (E_RNA)
where:
Base-Base interactions energy: -1665.386
where: short stacking energy: -718.465
Base-Backbone interact. energy: -2.336
local terms energy: -764.639658
where:
bonds (distance) C4'-P energy: -133.516
bonds (distance) P-C4' energy: -145.215
flat angles C4'-P-C4' energy: -156.231
flat angles P-C4'-P energy: -109.450
tors. eta vs tors. theta energy: -220.228
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: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2359.783012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.783012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.783012 (E_RNA)
where:
Base-Base interactions energy: -1622.699
where: short stacking energy: -692.959
Base-Backbone interact. energy: -4.420
local terms energy: -732.664594
where:
bonds (distance) C4'-P energy: -138.040
bonds (distance) P-C4' energy: -123.587
flat angles C4'-P-C4' energy: -159.488
flat angles P-C4'-P energy: -105.592
tors. eta vs tors. theta energy: -205.958
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: 286
Temperature: 1.100000
Total energy: -2207.125145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.125145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.125145 (E_RNA)
where:
Base-Base interactions energy: -1538.754
where: short stacking energy: -675.585
Base-Backbone interact. energy: -1.143
local terms energy: -667.227924
where:
bonds (distance) C4'-P energy: -106.454
bonds (distance) P-C4' energy: -111.786
flat angles C4'-P-C4' energy: -153.104
flat angles P-C4'-P energy: -104.912
tors. eta vs tors. theta energy: -190.973
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: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2143.234870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.234870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.234870 (E_RNA)
where:
Base-Base interactions energy: -1487.537
where: short stacking energy: -652.316
Base-Backbone interact. energy: -1.540
local terms energy: -654.157129
where:
bonds (distance) C4'-P energy: -103.163
bonds (distance) P-C4' energy: -116.713
flat angles C4'-P-C4' energy: -151.356
flat angles P-C4'-P energy: -96.439
tors. eta vs tors. theta energy: -186.485
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: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1892.979447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.979447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.979447 (E_RNA)
where:
Base-Base interactions energy: -1283.342
where: short stacking energy: -549.541
Base-Backbone interact. energy: -2.459
local terms energy: -607.178373
where:
bonds (distance) C4'-P energy: -104.725
bonds (distance) P-C4' energy: -119.583
flat angles C4'-P-C4' energy: -149.716
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -143.932
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: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1717.747661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.747661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.747661 (E_RNA)
where:
Base-Base interactions energy: -1155.644
where: short stacking energy: -483.490
Base-Backbone interact. energy: -0.273
local terms energy: -561.830627
where:
bonds (distance) C4'-P energy: -102.168
bonds (distance) P-C4' energy: -125.840
flat angles C4'-P-C4' energy: -127.507
flat angles P-C4'-P energy: -88.217
tors. eta vs tors. theta energy: -118.100
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: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1067.241612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.241612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.241612 (E_RNA)
where:
Base-Base interactions energy: -645.836
where: short stacking energy: -310.940
Base-Backbone interact. energy: 2.069
local terms energy: -423.474299
where:
bonds (distance) C4'-P energy: -104.962
bonds (distance) P-C4' energy: -122.757
flat angles C4'-P-C4' energy: -93.293
flat angles P-C4'-P energy: -73.439
tors. eta vs tors. theta energy: -29.022
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: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -933.481283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.481283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.481283 (E_RNA)
where:
Base-Base interactions energy: -488.981
where: short stacking energy: -262.882
Base-Backbone interact. energy: 2.191
local terms energy: -446.691333
where:
bonds (distance) C4'-P energy: -132.857
bonds (distance) P-C4' energy: -116.381
flat angles C4'-P-C4' energy: -118.659
flat angles P-C4'-P energy: -67.156
tors. eta vs tors. theta energy: -11.639
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: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2640.263263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.263263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.263263 (E_RNA)
where:
Base-Base interactions energy: -1860.440
where: short stacking energy: -756.203
Base-Backbone interact. energy: -3.446
local terms energy: -776.377037
where:
bonds (distance) C4'-P energy: -137.861
bonds (distance) P-C4' energy: -133.915
flat angles C4'-P-C4' energy: -162.934
flat angles P-C4'-P energy: -111.284
tors. eta vs tors. theta energy: -230.383
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: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2480.918370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.918370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.918370 (E_RNA)
where:
Base-Base interactions energy: -1692.720
where: short stacking energy: -713.421
Base-Backbone interact. energy: -5.077
local terms energy: -783.122112
where:
bonds (distance) C4'-P energy: -134.504
bonds (distance) P-C4' energy: -144.606
flat angles C4'-P-C4' energy: -166.846
flat angles P-C4'-P energy: -112.191
tors. eta vs tors. theta energy: -224.975
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: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2458.207050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.207050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.207050 (E_RNA)
where:
Base-Base interactions energy: -1693.831
where: short stacking energy: -740.056
Base-Backbone interact. energy: 0.501
local terms energy: -764.877136
where:
bonds (distance) C4'-P energy: -142.250
bonds (distance) P-C4' energy: -138.304
flat angles C4'-P-C4' energy: -157.811
flat angles P-C4'-P energy: -101.775
tors. eta vs tors. theta energy: -224.737
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: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2338.426408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.426408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.426408 (E_RNA)
where:
Base-Base interactions energy: -1616.825
where: short stacking energy: -696.668
Base-Backbone interact. energy: 3.333
local terms energy: -724.934155
where:
bonds (distance) C4'-P energy: -126.825
bonds (distance) P-C4' energy: -140.159
flat angles C4'-P-C4' energy: -159.304
flat angles P-C4'-P energy: -107.105
tors. eta vs tors. theta energy: -191.541
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: 287
Temperature: 1.100000
Total energy: -2191.837260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.837260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.837260 (E_RNA)
where:
Base-Base interactions energy: -1499.437
where: short stacking energy: -647.914
Base-Backbone interact. energy: -1.267
local terms energy: -691.133579
where:
bonds (distance) C4'-P energy: -108.296
bonds (distance) P-C4' energy: -133.280
flat angles C4'-P-C4' energy: -159.779
flat angles P-C4'-P energy: -106.552
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: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2160.322023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.322023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.322023 (E_RNA)
where:
Base-Base interactions energy: -1514.308
where: short stacking energy: -654.867
Base-Backbone interact. energy: -0.094
local terms energy: -645.920136
where:
bonds (distance) C4'-P energy: -104.734
bonds (distance) P-C4' energy: -127.684
flat angles C4'-P-C4' energy: -150.852
flat angles P-C4'-P energy: -80.207
tors. eta vs tors. theta energy: -182.443
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: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1956.288315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.288315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.288315 (E_RNA)
where:
Base-Base interactions energy: -1337.563
where: short stacking energy: -573.151
Base-Backbone interact. energy: -2.421
local terms energy: -616.304257
where:
bonds (distance) C4'-P energy: -129.813
bonds (distance) P-C4' energy: -121.390
flat angles C4'-P-C4' energy: -135.493
flat angles P-C4'-P energy: -81.332
tors. eta vs tors. theta energy: -148.276
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: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1723.275707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.275707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.275707 (E_RNA)
where:
Base-Base interactions energy: -1156.625
where: short stacking energy: -496.250
Base-Backbone interact. energy: -0.907
local terms energy: -565.743768
where:
bonds (distance) C4'-P energy: -128.318
bonds (distance) P-C4' energy: -112.460
flat angles C4'-P-C4' energy: -125.402
flat angles P-C4'-P energy: -89.341
tors. eta vs tors. theta energy: -110.222
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: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1141.349948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.349948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.349948 (E_RNA)
where:
Base-Base interactions energy: -671.357
where: short stacking energy: -330.409
Base-Backbone interact. energy: 0.803
local terms energy: -470.795402
where:
bonds (distance) C4'-P energy: -125.149
bonds (distance) P-C4' energy: -121.871
flat angles C4'-P-C4' energy: -97.032
flat angles P-C4'-P energy: -76.589
tors. eta vs tors. theta energy: -50.154
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: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -845.428031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.428031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.428031 (E_RNA)
where:
Base-Base interactions energy: -422.062
where: short stacking energy: -225.442
Base-Backbone interact. energy: 7.523
local terms energy: -430.889078
where:
bonds (distance) C4'-P energy: -111.293
bonds (distance) P-C4' energy: -119.548
flat angles C4'-P-C4' energy: -112.431
flat angles P-C4'-P energy: -80.430
tors. eta vs tors. theta energy: -7.186
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: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2630.181092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.181092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.181092 (E_RNA)
where:
Base-Base interactions energy: -1810.651
where: short stacking energy: -766.445
Base-Backbone interact. energy: -4.333
local terms energy: -815.197008
where:
bonds (distance) C4'-P energy: -142.064
bonds (distance) P-C4' energy: -168.726
flat angles C4'-P-C4' energy: -170.809
flat angles P-C4'-P energy: -116.861
tors. eta vs tors. theta energy: -216.737
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: 288
Temperature: 0.950000
Total energy: -2517.526094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.526094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.526094 (E_RNA)
where:
Base-Base interactions energy: -1736.048
where: short stacking energy: -720.463
Base-Backbone interact. energy: -4.929
local terms energy: -776.548686
where:
bonds (distance) C4'-P energy: -141.270
bonds (distance) P-C4' energy: -142.293
flat angles C4'-P-C4' energy: -173.358
flat angles P-C4'-P energy: -100.158
tors. eta vs tors. theta energy: -219.469
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: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2422.577622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.577622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.577622 (E_RNA)
where:
Base-Base interactions energy: -1681.671
where: short stacking energy: -720.343
Base-Backbone interact. energy: 3.473
local terms energy: -744.379437
where:
bonds (distance) C4'-P energy: -139.250
bonds (distance) P-C4' energy: -136.352
flat angles C4'-P-C4' energy: -161.594
flat angles P-C4'-P energy: -99.957
tors. eta vs tors. theta energy: -207.226
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: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2380.586899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.586899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.586899 (E_RNA)
where:
Base-Base interactions energy: -1688.630
where: short stacking energy: -707.822
Base-Backbone interact. energy: 1.169
local terms energy: -693.126263
where:
bonds (distance) C4'-P energy: -113.090
bonds (distance) P-C4' energy: -142.182
flat angles C4'-P-C4' energy: -157.276
flat angles P-C4'-P energy: -85.929
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: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2195.236397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.236397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.236397 (E_RNA)
where:
Base-Base interactions energy: -1499.620
where: short stacking energy: -673.522
Base-Backbone interact. energy: -2.636
local terms energy: -692.980173
where:
bonds (distance) C4'-P energy: -124.138
bonds (distance) P-C4' energy: -132.475
flat angles C4'-P-C4' energy: -150.446
flat angles P-C4'-P energy: -96.813
tors. eta vs tors. theta energy: -189.109
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: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2172.594688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.594688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.594688 (E_RNA)
where:
Base-Base interactions energy: -1487.299
where: short stacking energy: -658.405
Base-Backbone interact. energy: -3.500
local terms energy: -681.795773
where:
bonds (distance) C4'-P energy: -121.118
bonds (distance) P-C4' energy: -111.886
flat angles C4'-P-C4' energy: -138.644
flat angles P-C4'-P energy: -115.344
tors. eta vs tors. theta energy: -194.804
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: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1888.893994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.893994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.893994 (E_RNA)
where:
Base-Base interactions energy: -1261.024
where: short stacking energy: -547.318
Base-Backbone interact. energy: -3.106
local terms energy: -624.764252
where:
bonds (distance) C4'-P energy: -123.596
bonds (distance) P-C4' energy: -126.671
flat angles C4'-P-C4' energy: -139.175
flat angles P-C4'-P energy: -82.196
tors. eta vs tors. theta energy: -153.127
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: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1568.696486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.696486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.696486 (E_RNA)
where:
Base-Base interactions energy: -1024.524
where: short stacking energy: -449.125
Base-Backbone interact. energy: 2.617
local terms energy: -546.789879
where:
bonds (distance) C4'-P energy: -105.991
bonds (distance) P-C4' energy: -127.825
flat angles C4'-P-C4' energy: -128.720
flat angles P-C4'-P energy: -82.978
tors. eta vs tors. theta energy: -101.275
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: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1124.991365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.991365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.991365 (E_RNA)
where:
Base-Base interactions energy: -669.979
where: short stacking energy: -320.886
Base-Backbone interact. energy: 0.119
local terms energy: -455.131752
where:
bonds (distance) C4'-P energy: -115.386
bonds (distance) P-C4' energy: -118.365
flat angles C4'-P-C4' energy: -103.972
flat angles P-C4'-P energy: -69.110
tors. eta vs tors. theta energy: -48.299
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: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -808.298740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.298740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.298740 (E_RNA)
where:
Base-Base interactions energy: -406.416
where: short stacking energy: -218.314
Base-Backbone interact. energy: -3.753
local terms energy: -398.129575
where:
bonds (distance) C4'-P energy: -109.806
bonds (distance) P-C4' energy: -127.164
flat angles C4'-P-C4' energy: -115.210
flat angles P-C4'-P energy: -53.629
tors. eta vs tors. theta energy: 7.680
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: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2633.935326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.935326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.935326 (E_RNA)
where:
Base-Base interactions energy: -1850.402
where: short stacking energy: -767.116
Base-Backbone interact. energy: -1.325
local terms energy: -782.207538
where:
bonds (distance) C4'-P energy: -151.200
bonds (distance) P-C4' energy: -151.265
flat angles C4'-P-C4' energy: -161.389
flat angles P-C4'-P energy: -101.111
tors. eta vs tors. theta energy: -217.243
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: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2525.581527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.581527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.581527 (E_RNA)
where:
Base-Base interactions energy: -1733.038
where: short stacking energy: -731.354
Base-Backbone interact. energy: -3.706
local terms energy: -788.837578
where:
bonds (distance) C4'-P energy: -135.785
bonds (distance) P-C4' energy: -152.147
flat angles C4'-P-C4' energy: -160.429
flat angles P-C4'-P energy: -120.356
tors. eta vs tors. theta energy: -220.121
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: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2452.453035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.453035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.453035 (E_RNA)
where:
Base-Base interactions energy: -1701.071
where: short stacking energy: -725.878
Base-Backbone interact. energy: 5.407
local terms energy: -756.789103
where:
bonds (distance) C4'-P energy: -155.257
bonds (distance) P-C4' energy: -132.097
flat angles C4'-P-C4' energy: -163.478
flat angles P-C4'-P energy: -99.317
tors. eta vs tors. theta energy: -206.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2386.051093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.051093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.051093 (E_RNA)
where:
Base-Base interactions energy: -1622.252
where: short stacking energy: -715.612
Base-Backbone interact. energy: -4.722
local terms energy: -759.077309
where:
bonds (distance) C4'-P energy: -132.190
bonds (distance) P-C4' energy: -116.599
flat angles C4'-P-C4' energy: -168.730
flat angles P-C4'-P energy: -114.759
tors. eta vs tors. theta energy: -226.799
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: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2196.418865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.418865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.418865 (E_RNA)
where:
Base-Base interactions energy: -1501.368
where: short stacking energy: -653.809
Base-Backbone interact. energy: -3.384
local terms energy: -691.666274
where:
bonds (distance) C4'-P energy: -128.890
bonds (distance) P-C4' energy: -129.068
flat angles C4'-P-C4' energy: -142.516
flat angles P-C4'-P energy: -86.723
tors. eta vs tors. theta energy: -204.469
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: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2193.494894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.494894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.494894 (E_RNA)
where:
Base-Base interactions energy: -1498.787
where: short stacking energy: -639.326
Base-Backbone interact. energy: -5.024
local terms energy: -689.684134
where:
bonds (distance) C4'-P energy: -131.865
bonds (distance) P-C4' energy: -124.545
flat angles C4'-P-C4' energy: -163.043
flat angles P-C4'-P energy: -77.641
tors. eta vs tors. theta energy: -192.590
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: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1776.290359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.290359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.290359 (E_RNA)
where:
Base-Base interactions energy: -1179.221
where: short stacking energy: -543.445
Base-Backbone interact. energy: -1.660
local terms energy: -595.408794
where:
bonds (distance) C4'-P energy: -101.484
bonds (distance) P-C4' energy: -120.754
flat angles C4'-P-C4' energy: -149.286
flat angles P-C4'-P energy: -74.575
tors. eta vs tors. theta energy: -149.310
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: 289
Temperature: 1.250000
Total energy: -1543.870855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.870855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.870855 (E_RNA)
where:
Base-Base interactions energy: -989.379
where: short stacking energy: -435.233
Base-Backbone interact. energy: 2.110
local terms energy: -556.601787
where:
bonds (distance) C4'-P energy: -133.298
bonds (distance) P-C4' energy: -132.500
flat angles C4'-P-C4' energy: -123.727
flat angles P-C4'-P energy: -84.983
tors. eta vs tors. theta energy: -82.094
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: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1135.020471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.020471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.020471 (E_RNA)
where:
Base-Base interactions energy: -686.664
where: short stacking energy: -335.343
Base-Backbone interact. energy: -3.450
local terms energy: -444.907288
where:
bonds (distance) C4'-P energy: -102.155
bonds (distance) P-C4' energy: -140.536
flat angles C4'-P-C4' energy: -114.181
flat angles P-C4'-P energy: -57.129
tors. eta vs tors. theta energy: -30.906
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: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -798.578203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.578203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.578203 (E_RNA)
where:
Base-Base interactions energy: -419.044
where: short stacking energy: -232.156
Base-Backbone interact. energy: -2.661
local terms energy: -376.873179
where:
bonds (distance) C4'-P energy: -106.152
bonds (distance) P-C4' energy: -130.172
flat angles C4'-P-C4' energy: -93.036
flat angles P-C4'-P energy: -42.844
tors. eta vs tors. theta energy: -4.669
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: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2647.746154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.746154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.746154 (E_RNA)
where:
Base-Base interactions energy: -1867.561
where: short stacking energy: -766.249
Base-Backbone interact. energy: -5.555
local terms energy: -774.630552
where:
bonds (distance) C4'-P energy: -144.171
bonds (distance) P-C4' energy: -143.059
flat angles C4'-P-C4' energy: -160.017
flat angles P-C4'-P energy: -108.403
tors. eta vs tors. theta energy: -218.981
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: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2488.031901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.031901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.031901 (E_RNA)
where:
Base-Base interactions energy: -1718.395
where: short stacking energy: -704.037
Base-Backbone interact. energy: -6.409
local terms energy: -763.228114
where:
bonds (distance) C4'-P energy: -141.862
bonds (distance) P-C4' energy: -144.254
flat angles C4'-P-C4' energy: -165.834
flat angles P-C4'-P energy: -107.070
tors. eta vs tors. theta energy: -204.208
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: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2467.180354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.180354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.180354 (E_RNA)
where:
Base-Base interactions energy: -1698.070
where: short stacking energy: -730.199
Base-Backbone interact. energy: -0.156
local terms energy: -768.954846
where:
bonds (distance) C4'-P energy: -133.744
bonds (distance) P-C4' energy: -138.069
flat angles C4'-P-C4' energy: -153.412
flat angles P-C4'-P energy: -107.515
tors. eta vs tors. theta energy: -236.216
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: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2366.671625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.671625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.671625 (E_RNA)
where:
Base-Base interactions energy: -1634.154
where: short stacking energy: -733.084
Base-Backbone interact. energy: -1.691
local terms energy: -730.826533
where:
bonds (distance) C4'-P energy: -131.277
bonds (distance) P-C4' energy: -114.183
flat angles C4'-P-C4' energy: -162.464
flat angles P-C4'-P energy: -112.376
tors. eta vs tors. theta energy: -210.527
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: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2167.297458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.297458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.297458 (E_RNA)
where:
Base-Base interactions energy: -1450.590
where: short stacking energy: -612.767
Base-Backbone interact. energy: 3.618
local terms energy: -720.325758
where:
bonds (distance) C4'-P energy: -141.361
bonds (distance) P-C4' energy: -144.092
flat angles C4'-P-C4' energy: -158.382
flat angles P-C4'-P energy: -101.298
tors. eta vs tors. theta energy: -175.193
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: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2057.351011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.351011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.351011 (E_RNA)
where:
Base-Base interactions energy: -1400.016
where: short stacking energy: -579.708
Base-Backbone interact. energy: -4.323
local terms energy: -653.012111
where:
bonds (distance) C4'-P energy: -108.209
bonds (distance) P-C4' energy: -135.935
flat angles C4'-P-C4' energy: -148.554
flat angles P-C4'-P energy: -94.800
tors. eta vs tors. theta energy: -165.514
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: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1578.582666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.582666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.582666 (E_RNA)
where:
Base-Base interactions energy: -1027.161
where: short stacking energy: -438.174
Base-Backbone interact. energy: -1.540
local terms energy: -549.881614
where:
bonds (distance) C4'-P energy: -126.104
bonds (distance) P-C4' energy: -119.995
flat angles C4'-P-C4' energy: -138.746
flat angles P-C4'-P energy: -67.772
tors. eta vs tors. theta energy: -97.266
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: 8, replica: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1671.942241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.942241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.942241 (E_RNA)
where:
Base-Base interactions energy: -1107.105
where: short stacking energy: -460.944
Base-Backbone interact. energy: -2.413
local terms energy: -562.424545
where:
bonds (distance) C4'-P energy: -136.071
bonds (distance) P-C4' energy: -119.593
flat angles C4'-P-C4' energy: -127.867
flat angles P-C4'-P energy: -80.367
tors. eta vs tors. theta energy: -98.526
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: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1191.764849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.764849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.764849 (E_RNA)
where:
Base-Base interactions energy: -747.806
where: short stacking energy: -337.986
Base-Backbone interact. energy: -0.096
local terms energy: -443.862058
where:
bonds (distance) C4'-P energy: -105.246
bonds (distance) P-C4' energy: -127.464
flat angles C4'-P-C4' energy: -98.511
flat angles P-C4'-P energy: -72.589
tors. eta vs tors. theta energy: -40.052
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: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -850.524176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.524176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.524176 (E_RNA)
where:
Base-Base interactions energy: -446.248
where: short stacking energy: -245.342
Base-Backbone interact. energy: 6.569
local terms energy: -410.844903
where:
bonds (distance) C4'-P energy: -97.149
bonds (distance) P-C4' energy: -112.990
flat angles C4'-P-C4' energy: -120.958
flat angles P-C4'-P energy: -59.066
tors. eta vs tors. theta energy: -20.682
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: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2651.232458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.232458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.232458 (E_RNA)
where:
Base-Base interactions energy: -1850.556
where: short stacking energy: -755.896
Base-Backbone interact. energy: -3.738
local terms energy: -796.937940
where:
bonds (distance) C4'-P energy: -149.493
bonds (distance) P-C4' energy: -153.620
flat angles C4'-P-C4' energy: -162.388
flat angles P-C4'-P energy: -108.074
tors. eta vs tors. theta energy: -223.364
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: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2566.571599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.571599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.571599 (E_RNA)
where:
Base-Base interactions energy: -1771.968
where: short stacking energy: -781.908
Base-Backbone interact. energy: 1.569
local terms energy: -796.173387
where:
bonds (distance) C4'-P energy: -152.241
bonds (distance) P-C4' energy: -142.526
flat angles C4'-P-C4' energy: -163.655
flat angles P-C4'-P energy: -112.022
tors. eta vs tors. theta energy: -225.729
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: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2424.028923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.028923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.028923 (E_RNA)
where:
Base-Base interactions energy: -1692.888
where: short stacking energy: -679.525
Base-Backbone interact. energy: -4.142
local terms energy: -726.999450
where:
bonds (distance) C4'-P energy: -129.052
bonds (distance) P-C4' energy: -126.787
flat angles C4'-P-C4' energy: -156.033
flat angles P-C4'-P energy: -107.183
tors. eta vs tors. theta energy: -207.945
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: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2341.741526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.741526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.741526 (E_RNA)
where:
Base-Base interactions energy: -1597.973
where: short stacking energy: -694.156
Base-Backbone interact. energy: -1.641
local terms energy: -742.127205
where:
bonds (distance) C4'-P energy: -145.241
bonds (distance) P-C4' energy: -126.313
flat angles C4'-P-C4' energy: -149.289
flat angles P-C4'-P energy: -115.346
tors. eta vs tors. theta energy: -205.938
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: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2180.451611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.451611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.451611 (E_RNA)
where:
Base-Base interactions energy: -1507.675
where: short stacking energy: -646.729
Base-Backbone interact. energy: -1.332
local terms energy: -671.444461
where:
bonds (distance) C4'-P energy: -123.039
bonds (distance) P-C4' energy: -128.826
flat angles C4'-P-C4' energy: -156.218
flat angles P-C4'-P energy: -92.052
tors. eta vs tors. theta energy: -171.310
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: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2055.117434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.117434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.117434 (E_RNA)
where:
Base-Base interactions energy: -1398.582
where: short stacking energy: -591.381
Base-Backbone interact. energy: -0.812
local terms energy: -655.722758
where:
bonds (distance) C4'-P energy: -113.340
bonds (distance) P-C4' energy: -134.888
flat angles C4'-P-C4' energy: -143.776
flat angles P-C4'-P energy: -90.099
tors. eta vs tors. theta energy: -173.620
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: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1647.832030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.832030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.832030 (E_RNA)
where:
Base-Base interactions energy: -1093.591
where: short stacking energy: -483.114
Base-Backbone interact. energy: -1.347
local terms energy: -552.894360
where:
bonds (distance) C4'-P energy: -121.621
bonds (distance) P-C4' energy: -112.169
flat angles C4'-P-C4' energy: -133.250
flat angles P-C4'-P energy: -80.757
tors. eta vs tors. theta energy: -105.097
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: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1607.528806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.528806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.528806 (E_RNA)
where:
Base-Base interactions energy: -1071.677
where: short stacking energy: -453.654
Base-Backbone interact. energy: -3.457
local terms energy: -532.394657
where:
bonds (distance) C4'-P energy: -98.104
bonds (distance) P-C4' energy: -137.633
flat angles C4'-P-C4' energy: -138.603
flat angles P-C4'-P energy: -64.316
tors. eta vs tors. theta energy: -93.739
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: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1235.255553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.255553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.255553 (E_RNA)
where:
Base-Base interactions energy: -757.761
where: short stacking energy: -338.486
Base-Backbone interact. energy: -0.767
local terms energy: -476.728073
where:
bonds (distance) C4'-P energy: -102.311
bonds (distance) P-C4' energy: -119.783
flat angles C4'-P-C4' energy: -128.913
flat angles P-C4'-P energy: -71.342
tors. eta vs tors. theta energy: -54.379
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: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -825.772541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.772541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.772541 (E_RNA)
where:
Base-Base interactions energy: -432.985
where: short stacking energy: -258.703
Base-Backbone interact. energy: 5.169
local terms energy: -397.956460
where:
bonds (distance) C4'-P energy: -105.588
bonds (distance) P-C4' energy: -124.295
flat angles C4'-P-C4' energy: -111.001
flat angles P-C4'-P energy: -52.302
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: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2627.628314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.628314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.628314 (E_RNA)
where:
Base-Base interactions energy: -1841.443
where: short stacking energy: -746.497
Base-Backbone interact. energy: -1.556
local terms energy: -784.629009
where:
bonds (distance) C4'-P energy: -142.726
bonds (distance) P-C4' energy: -143.873
flat angles C4'-P-C4' energy: -166.530
flat angles P-C4'-P energy: -113.290
tors. eta vs tors. theta energy: -218.210
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: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2553.983298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.983298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.983298 (E_RNA)
where:
Base-Base interactions energy: -1737.959
where: short stacking energy: -766.235
Base-Backbone interact. energy: -3.640
local terms energy: -812.384994
where:
bonds (distance) C4'-P energy: -144.126
bonds (distance) P-C4' energy: -155.296
flat angles C4'-P-C4' energy: -159.957
flat angles P-C4'-P energy: -122.420
tors. eta vs tors. theta energy: -230.587
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: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2450.792363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.792363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.792363 (E_RNA)
where:
Base-Base interactions energy: -1711.031
where: short stacking energy: -732.221
Base-Backbone interact. energy: -2.117
local terms energy: -737.644182
where:
bonds (distance) C4'-P energy: -133.830
bonds (distance) P-C4' energy: -132.022
flat angles C4'-P-C4' energy: -158.445
flat angles P-C4'-P energy: -101.817
tors. eta vs tors. theta energy: -211.531
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: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2334.688842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.688842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.688842 (E_RNA)
where:
Base-Base interactions energy: -1602.449
where: short stacking energy: -721.500
Base-Backbone interact. energy: -2.897
local terms energy: -729.342557
where:
bonds (distance) C4'-P energy: -130.443
bonds (distance) P-C4' energy: -125.141
flat angles C4'-P-C4' energy: -158.346
flat angles P-C4'-P energy: -110.926
tors. eta vs tors. theta energy: -204.487
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: 292
Temperature: 1.100000
Total energy: -2114.649807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.649807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.649807 (E_RNA)
where:
Base-Base interactions energy: -1461.784
where: short stacking energy: -635.276
Base-Backbone interact. energy: -0.787
local terms energy: -652.079180
where:
bonds (distance) C4'-P energy: -122.340
bonds (distance) P-C4' energy: -124.402
flat angles C4'-P-C4' energy: -146.127
flat angles P-C4'-P energy: -92.856
tors. eta vs tors. theta energy: -166.355
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: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2118.553023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.553023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.553023 (E_RNA)
where:
Base-Base interactions energy: -1438.659
where: short stacking energy: -622.893
Base-Backbone interact. energy: -0.686
local terms energy: -679.208643
where:
bonds (distance) C4'-P energy: -131.733
bonds (distance) P-C4' energy: -129.614
flat angles C4'-P-C4' energy: -140.448
flat angles P-C4'-P energy: -104.273
tors. eta vs tors. theta energy: -173.141
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: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1694.175053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.175053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.175053 (E_RNA)
where:
Base-Base interactions energy: -1095.088
where: short stacking energy: -488.955
Base-Backbone interact. energy: 3.452
local terms energy: -602.539161
where:
bonds (distance) C4'-P energy: -111.069
bonds (distance) P-C4' energy: -144.122
flat angles C4'-P-C4' energy: -138.596
flat angles P-C4'-P energy: -88.978
tors. eta vs tors. theta energy: -119.773
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: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1573.626927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.626927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.626927 (E_RNA)
where:
Base-Base interactions energy: -1001.406
where: short stacking energy: -418.684
Base-Backbone interact. energy: 4.507
local terms energy: -576.727509
where:
bonds (distance) C4'-P energy: -113.431
bonds (distance) P-C4' energy: -138.582
flat angles C4'-P-C4' energy: -141.447
flat angles P-C4'-P energy: -83.600
tors. eta vs tors. theta energy: -99.667
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: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1190.348602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.348602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.348602 (E_RNA)
where:
Base-Base interactions energy: -702.283
where: short stacking energy: -321.609
Base-Backbone interact. energy: -1.643
local terms energy: -486.422901
where:
bonds (distance) C4'-P energy: -119.257
bonds (distance) P-C4' energy: -119.674
flat angles C4'-P-C4' energy: -118.429
flat angles P-C4'-P energy: -73.514
tors. eta vs tors. theta energy: -55.550
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: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -875.792233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.792233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.792233 (E_RNA)
where:
Base-Base interactions energy: -469.936
where: short stacking energy: -252.913
Base-Backbone interact. energy: -1.928
local terms energy: -403.928325
where:
bonds (distance) C4'-P energy: -116.555
bonds (distance) P-C4' energy: -113.738
flat angles C4'-P-C4' energy: -101.447
flat angles P-C4'-P energy: -57.749
tors. eta vs tors. theta energy: -14.440
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: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2621.632574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.632574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.632574 (E_RNA)
where:
Base-Base interactions energy: -1839.801
where: short stacking energy: -772.775
Base-Backbone interact. energy: -1.486
local terms energy: -780.345656
where:
bonds (distance) C4'-P energy: -150.164
bonds (distance) P-C4' energy: -130.235
flat angles C4'-P-C4' energy: -171.091
flat angles P-C4'-P energy: -108.032
tors. eta vs tors. theta energy: -220.823
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: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2563.662188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.662188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.662188 (E_RNA)
where:
Base-Base interactions energy: -1760.754
where: short stacking energy: -748.105
Base-Backbone interact. energy: -2.392
local terms energy: -800.515892
where:
bonds (distance) C4'-P energy: -159.640
bonds (distance) P-C4' energy: -142.187
flat angles C4'-P-C4' energy: -164.567
flat angles P-C4'-P energy: -106.526
tors. eta vs tors. theta energy: -227.595
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: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2434.306622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.306622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.306622 (E_RNA)
where:
Base-Base interactions energy: -1671.346
where: short stacking energy: -687.730
Base-Backbone interact. energy: -4.293
local terms energy: -758.667754
where:
bonds (distance) C4'-P energy: -149.076
bonds (distance) P-C4' energy: -138.142
flat angles C4'-P-C4' energy: -170.564
flat angles P-C4'-P energy: -104.480
tors. eta vs tors. theta energy: -196.406
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: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2333.037925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.037925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.037925 (E_RNA)
where:
Base-Base interactions energy: -1631.842
where: short stacking energy: -735.437
Base-Backbone interact. energy: -3.851
local terms energy: -697.344870
where:
bonds (distance) C4'-P energy: -129.093
bonds (distance) P-C4' energy: -123.506
flat angles C4'-P-C4' energy: -146.327
flat angles P-C4'-P energy: -96.191
tors. eta vs tors. theta energy: -202.228
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: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2158.925077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.925077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.925077 (E_RNA)
where:
Base-Base interactions energy: -1459.802
where: short stacking energy: -640.337
Base-Backbone interact. energy: -1.727
local terms energy: -697.396225
where:
bonds (distance) C4'-P energy: -124.402
bonds (distance) P-C4' energy: -136.809
flat angles C4'-P-C4' energy: -155.123
flat angles P-C4'-P energy: -98.771
tors. eta vs tors. theta energy: -182.291
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: 293
Temperature: 1.150000
Total energy: -2069.889462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.889462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.889462 (E_RNA)
where:
Base-Base interactions energy: -1454.580
where: short stacking energy: -614.050
Base-Backbone interact. energy: -3.628
local terms energy: -611.681519
where:
bonds (distance) C4'-P energy: -108.136
bonds (distance) P-C4' energy: -111.409
flat angles C4'-P-C4' energy: -128.591
flat angles P-C4'-P energy: -86.995
tors. eta vs tors. theta energy: -176.550
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: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1728.315787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.315787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.315787 (E_RNA)
where:
Base-Base interactions energy: -1163.281
where: short stacking energy: -530.873
Base-Backbone interact. energy: -3.375
local terms energy: -561.659756
where:
bonds (distance) C4'-P energy: -109.134
bonds (distance) P-C4' energy: -118.244
flat angles C4'-P-C4' energy: -135.594
flat angles P-C4'-P energy: -74.460
tors. eta vs tors. theta energy: -124.229
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: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1619.962944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.962944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.962944 (E_RNA)
where:
Base-Base interactions energy: -1079.054
where: short stacking energy: -464.969
Base-Backbone interact. energy: 0.422
local terms energy: -541.330252
where:
bonds (distance) C4'-P energy: -94.346
bonds (distance) P-C4' energy: -120.532
flat angles C4'-P-C4' energy: -139.192
flat angles P-C4'-P energy: -81.291
tors. eta vs tors. theta energy: -105.969
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: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1220.276817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.276817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.276817 (E_RNA)
where:
Base-Base interactions energy: -729.328
where: short stacking energy: -318.011
Base-Backbone interact. energy: 1.875
local terms energy: -492.824049
where:
bonds (distance) C4'-P energy: -132.565
bonds (distance) P-C4' energy: -121.013
flat angles C4'-P-C4' energy: -125.727
flat angles P-C4'-P energy: -69.362
tors. eta vs tors. theta energy: -44.156
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: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -865.401840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.401840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.401840 (E_RNA)
where:
Base-Base interactions energy: -460.049
where: short stacking energy: -251.944
Base-Backbone interact. energy: -1.022
local terms energy: -404.330300
where:
bonds (distance) C4'-P energy: -95.541
bonds (distance) P-C4' energy: -124.338
flat angles C4'-P-C4' energy: -94.386
flat angles P-C4'-P energy: -62.009
tors. eta vs tors. theta energy: -28.057
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: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2637.782003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.782003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.782003 (E_RNA)
where:
Base-Base interactions energy: -1819.353
where: short stacking energy: -793.196
Base-Backbone interact. energy: -3.213
local terms energy: -815.215721
where:
bonds (distance) C4'-P energy: -130.707
bonds (distance) P-C4' energy: -152.750
flat angles C4'-P-C4' energy: -172.291
flat angles P-C4'-P energy: -117.901
tors. eta vs tors. theta energy: -241.567
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: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2591.785735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.785735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.785735 (E_RNA)
where:
Base-Base interactions energy: -1821.439
where: short stacking energy: -741.939
Base-Backbone interact. energy: -0.935
local terms energy: -769.411783
where:
bonds (distance) C4'-P energy: -146.770
bonds (distance) P-C4' energy: -141.254
flat angles C4'-P-C4' energy: -155.110
flat angles P-C4'-P energy: -112.250
tors. eta vs tors. theta energy: -214.027
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: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2457.213753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.213753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.213753 (E_RNA)
where:
Base-Base interactions energy: -1706.632
where: short stacking energy: -711.077
Base-Backbone interact. energy: -0.281
local terms energy: -750.300811
where:
bonds (distance) C4'-P energy: -142.293
bonds (distance) P-C4' energy: -136.192
flat angles C4'-P-C4' energy: -161.833
flat angles P-C4'-P energy: -107.086
tors. eta vs tors. theta energy: -202.897
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: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2329.438490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.438490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.438490 (E_RNA)
where:
Base-Base interactions energy: -1577.894
where: short stacking energy: -676.791
Base-Backbone interact. energy: -4.169
local terms energy: -747.376060
where:
bonds (distance) C4'-P energy: -150.837
bonds (distance) P-C4' energy: -133.536
flat angles C4'-P-C4' energy: -160.844
flat angles P-C4'-P energy: -111.755
tors. eta vs tors. theta energy: -190.405
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: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2193.810843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.810843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.810843 (E_RNA)
where:
Base-Base interactions energy: -1487.603
where: short stacking energy: -616.210
Base-Backbone interact. energy: -1.226
local terms energy: -704.982024
where:
bonds (distance) C4'-P energy: -127.575
bonds (distance) P-C4' energy: -129.989
flat angles C4'-P-C4' energy: -157.436
flat angles P-C4'-P energy: -96.931
tors. eta vs tors. theta energy: -193.051
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: 294
Temperature: 1.150000
Total energy: -2037.074504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.074504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.074504 (E_RNA)
where:
Base-Base interactions energy: -1392.280
where: short stacking energy: -603.277
Base-Backbone interact. energy: -0.580
local terms energy: -644.213855
where:
bonds (distance) C4'-P energy: -115.863
bonds (distance) P-C4' energy: -126.198
flat angles C4'-P-C4' energy: -143.130
flat angles P-C4'-P energy: -103.364
tors. eta vs tors. theta energy: -155.658
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: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1662.402769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.402769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.402769 (E_RNA)
where:
Base-Base interactions energy: -1076.380
where: short stacking energy: -479.632
Base-Backbone interact. energy: 1.323
local terms energy: -587.345054
where:
bonds (distance) C4'-P energy: -120.349
bonds (distance) P-C4' energy: -131.963
flat angles C4'-P-C4' energy: -137.794
flat angles P-C4'-P energy: -95.961
tors. eta vs tors. theta energy: -101.278
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: 8, replica: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1648.343367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.343367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.343367 (E_RNA)
where:
Base-Base interactions energy: -1072.464
where: short stacking energy: -473.216
Base-Backbone interact. energy: -3.479
local terms energy: -572.400697
where:
bonds (distance) C4'-P energy: -118.932
bonds (distance) P-C4' energy: -122.953
flat angles C4'-P-C4' energy: -145.482
flat angles P-C4'-P energy: -80.212
tors. eta vs tors. theta energy: -104.822
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: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1170.171959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.171959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.171959 (E_RNA)
where:
Base-Base interactions energy: -758.057
where: short stacking energy: -340.080
Base-Backbone interact. energy: 3.537
local terms energy: -415.652341
where:
bonds (distance) C4'-P energy: -107.344
bonds (distance) P-C4' energy: -92.417
flat angles C4'-P-C4' energy: -103.970
flat angles P-C4'-P energy: -51.492
tors. eta vs tors. theta energy: -60.429
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: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -826.562262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.562262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.562262 (E_RNA)
where:
Base-Base interactions energy: -438.846
where: short stacking energy: -225.967
Base-Backbone interact. energy: -0.598
local terms energy: -387.118741
where:
bonds (distance) C4'-P energy: -111.337
bonds (distance) P-C4' energy: -128.025
flat angles C4'-P-C4' energy: -98.395
flat angles P-C4'-P energy: -58.939
tors. eta vs tors. theta energy: 9.578
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: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2635.035864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.035864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.035864 (E_RNA)
where:
Base-Base interactions energy: -1823.457
where: short stacking energy: -771.760
Base-Backbone interact. energy: -2.851
local terms energy: -808.728469
where:
bonds (distance) C4'-P energy: -138.908
bonds (distance) P-C4' energy: -150.382
flat angles C4'-P-C4' energy: -172.035
flat angles P-C4'-P energy: -109.803
tors. eta vs tors. theta energy: -237.601
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: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2543.409637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.409637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.409637 (E_RNA)
where:
Base-Base interactions energy: -1765.046
where: short stacking energy: -725.684
Base-Backbone interact. energy: -1.591
local terms energy: -776.772299
where:
bonds (distance) C4'-P energy: -124.460
bonds (distance) P-C4' energy: -146.849
flat angles C4'-P-C4' energy: -170.991
flat angles P-C4'-P energy: -115.887
tors. eta vs tors. theta energy: -218.587
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2419.310008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.310008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.310008 (E_RNA)
where:
Base-Base interactions energy: -1680.196
where: short stacking energy: -722.519
Base-Backbone interact. energy: -0.153
local terms energy: -738.960451
where:
bonds (distance) C4'-P energy: -135.884
bonds (distance) P-C4' energy: -133.689
flat angles C4'-P-C4' energy: -157.523
flat angles P-C4'-P energy: -110.433
tors. eta vs tors. theta energy: -201.432
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: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2352.049897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.049897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.049897 (E_RNA)
where:
Base-Base interactions energy: -1635.756
where: short stacking energy: -707.322
Base-Backbone interact. energy: -6.900
local terms energy: -709.394232
where:
bonds (distance) C4'-P energy: -130.627
bonds (distance) P-C4' energy: -126.961
flat angles C4'-P-C4' energy: -146.935
flat angles P-C4'-P energy: -102.434
tors. eta vs tors. theta energy: -202.438
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: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2191.752218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.752218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.752218 (E_RNA)
where:
Base-Base interactions energy: -1500.565
where: short stacking energy: -640.602
Base-Backbone interact. energy: 1.358
local terms energy: -692.544930
where:
bonds (distance) C4'-P energy: -114.796
bonds (distance) P-C4' energy: -136.756
flat angles C4'-P-C4' energy: -163.049
flat angles P-C4'-P energy: -100.092
tors. eta vs tors. theta energy: -177.851
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: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2064.107098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.107098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.107098 (E_RNA)
where:
Base-Base interactions energy: -1399.797
where: short stacking energy: -587.451
Base-Backbone interact. energy: -2.546
local terms energy: -661.764039
where:
bonds (distance) C4'-P energy: -129.248
bonds (distance) P-C4' energy: -140.711
flat angles C4'-P-C4' energy: -141.228
flat angles P-C4'-P energy: -89.146
tors. eta vs tors. theta energy: -161.431
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: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1716.352570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.352570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.352570 (E_RNA)
where:
Base-Base interactions energy: -1123.999
where: short stacking energy: -502.253
Base-Backbone interact. energy: 6.208
local terms energy: -598.562068
where:
bonds (distance) C4'-P energy: -132.143
bonds (distance) P-C4' energy: -130.818
flat angles C4'-P-C4' energy: -141.789
flat angles P-C4'-P energy: -91.209
tors. eta vs tors. theta energy: -102.604
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: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1570.423604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.423604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.423604 (E_RNA)
where:
Base-Base interactions energy: -1037.912
where: short stacking energy: -453.812
Base-Backbone interact. energy: -1.645
local terms energy: -530.866667
where:
bonds (distance) C4'-P energy: -122.565
bonds (distance) P-C4' energy: -127.630
flat angles C4'-P-C4' energy: -126.983
flat angles P-C4'-P energy: -57.095
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: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1129.979622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.979622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.979622 (E_RNA)
where:
Base-Base interactions energy: -686.938
where: short stacking energy: -322.109
Base-Backbone interact. energy: 1.718
local terms energy: -444.759251
where:
bonds (distance) C4'-P energy: -118.293
bonds (distance) P-C4' energy: -112.965
flat angles C4'-P-C4' energy: -119.913
flat angles P-C4'-P energy: -55.421
tors. eta vs tors. theta energy: -38.168
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: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -857.759962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.759962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.759962 (E_RNA)
where:
Base-Base interactions energy: -431.844
where: short stacking energy: -215.646
Base-Backbone interact. energy: -0.016
local terms energy: -425.899901
where:
bonds (distance) C4'-P energy: -119.570
bonds (distance) P-C4' energy: -132.826
flat angles C4'-P-C4' energy: -105.911
flat angles P-C4'-P energy: -63.766
tors. eta vs tors. theta energy: -3.826
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: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2584.659984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.659984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.659984 (E_RNA)
where:
Base-Base interactions energy: -1788.900
where: short stacking energy: -753.657
Base-Backbone interact. energy: -1.123
local terms energy: -794.637142
where:
bonds (distance) C4'-P energy: -132.118
bonds (distance) P-C4' energy: -152.111
flat angles C4'-P-C4' energy: -168.856
flat angles P-C4'-P energy: -123.562
tors. eta vs tors. theta energy: -217.990
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: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2548.489888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.489888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.489888 (E_RNA)
where:
Base-Base interactions energy: -1772.019
where: short stacking energy: -755.885
Base-Backbone interact. energy: -1.145
local terms energy: -775.326239
where:
bonds (distance) C4'-P energy: -143.233
bonds (distance) P-C4' energy: -135.036
flat angles C4'-P-C4' energy: -170.313
flat angles P-C4'-P energy: -104.709
tors. eta vs tors. theta energy: -222.034
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: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2422.782821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.782821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.782821 (E_RNA)
where:
Base-Base interactions energy: -1670.556
where: short stacking energy: -676.297
Base-Backbone interact. energy: -0.823
local terms energy: -751.403791
where:
bonds (distance) C4'-P energy: -138.389
bonds (distance) P-C4' energy: -148.866
flat angles C4'-P-C4' energy: -159.565
flat angles P-C4'-P energy: -112.282
tors. eta vs tors. theta energy: -192.301
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: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2312.717824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.717824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.717824 (E_RNA)
where:
Base-Base interactions energy: -1587.193
where: short stacking energy: -722.859
Base-Backbone interact. energy: -1.219
local terms energy: -724.305752
where:
bonds (distance) C4'-P energy: -126.229
bonds (distance) P-C4' energy: -140.697
flat angles C4'-P-C4' energy: -148.263
flat angles P-C4'-P energy: -111.614
tors. eta vs tors. theta energy: -197.502
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: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2173.814214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.814214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.814214 (E_RNA)
where:
Base-Base interactions energy: -1482.415
where: short stacking energy: -632.224
Base-Backbone interact. energy: -3.052
local terms energy: -688.347187
where:
bonds (distance) C4'-P energy: -112.563
bonds (distance) P-C4' energy: -139.011
flat angles C4'-P-C4' energy: -153.656
flat angles P-C4'-P energy: -103.318
tors. eta vs tors. theta energy: -179.799
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: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2099.972474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.972474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.972474 (E_RNA)
where:
Base-Base interactions energy: -1431.382
where: short stacking energy: -621.328
Base-Backbone interact. energy: -2.452
local terms energy: -666.138975
where:
bonds (distance) C4'-P energy: -136.139
bonds (distance) P-C4' energy: -132.549
flat angles C4'-P-C4' energy: -143.464
flat angles P-C4'-P energy: -87.429
tors. eta vs tors. theta energy: -166.559
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: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1685.273587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.273587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.273587 (E_RNA)
where:
Base-Base interactions energy: -1103.069
where: short stacking energy: -487.401
Base-Backbone interact. energy: -2.085
local terms energy: -580.119320
where:
bonds (distance) C4'-P energy: -116.183
bonds (distance) P-C4' energy: -126.120
flat angles C4'-P-C4' energy: -128.692
flat angles P-C4'-P energy: -90.195
tors. eta vs tors. theta energy: -118.929
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: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1552.203432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.203432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.203432 (E_RNA)
where:
Base-Base interactions energy: -1028.014
where: short stacking energy: -420.255
Base-Backbone interact. energy: -0.315
local terms energy: -523.875102
where:
bonds (distance) C4'-P energy: -115.186
bonds (distance) P-C4' energy: -133.658
flat angles C4'-P-C4' energy: -125.662
flat angles P-C4'-P energy: -75.296
tors. eta vs tors. theta energy: -74.073
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: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1126.944809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.944809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.944809 (E_RNA)
where:
Base-Base interactions energy: -696.129
where: short stacking energy: -320.235
Base-Backbone interact. energy: 1.972
local terms energy: -432.787248
where:
bonds (distance) C4'-P energy: -100.506
bonds (distance) P-C4' energy: -119.389
flat angles C4'-P-C4' energy: -101.332
flat angles P-C4'-P energy: -80.439
tors. eta vs tors. theta energy: -31.121
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: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -884.779373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.779373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.779373 (E_RNA)
where:
Base-Base interactions energy: -501.183
where: short stacking energy: -257.864
Base-Backbone interact. energy: -2.696
local terms energy: -380.900689
where:
bonds (distance) C4'-P energy: -124.643
bonds (distance) P-C4' energy: -107.687
flat angles C4'-P-C4' energy: -108.045
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -15.590
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: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2602.962953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.962953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.962953 (E_RNA)
where:
Base-Base interactions energy: -1810.721
where: short stacking energy: -799.634
Base-Backbone interact. energy: 4.018
local terms energy: -796.259749
where:
bonds (distance) C4'-P energy: -139.061
bonds (distance) P-C4' energy: -141.014
flat angles C4'-P-C4' energy: -158.642
flat angles P-C4'-P energy: -121.975
tors. eta vs tors. theta energy: -235.568
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: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2522.640851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.640851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.640851 (E_RNA)
where:
Base-Base interactions energy: -1750.648
where: short stacking energy: -742.162
Base-Backbone interact. energy: -4.625
local terms energy: -767.367379
where:
bonds (distance) C4'-P energy: -132.544
bonds (distance) P-C4' energy: -146.924
flat angles C4'-P-C4' energy: -167.462
flat angles P-C4'-P energy: -108.330
tors. eta vs tors. theta energy: -212.107
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: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2405.805849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.805849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.805849 (E_RNA)
where:
Base-Base interactions energy: -1694.441
where: short stacking energy: -694.915
Base-Backbone interact. energy: -1.387
local terms energy: -709.977365
where:
bonds (distance) C4'-P energy: -135.501
bonds (distance) P-C4' energy: -133.906
flat angles C4'-P-C4' energy: -153.922
flat angles P-C4'-P energy: -89.966
tors. eta vs tors. theta energy: -196.682
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: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2364.343284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.343284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.343284 (E_RNA)
where:
Base-Base interactions energy: -1608.304
where: short stacking energy: -723.042
Base-Backbone interact. energy: -2.669
local terms energy: -753.370542
where:
bonds (distance) C4'-P energy: -128.821
bonds (distance) P-C4' energy: -143.388
flat angles C4'-P-C4' energy: -151.097
flat angles P-C4'-P energy: -114.423
tors. eta vs tors. theta energy: -215.642
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: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2222.546704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.546704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.546704 (E_RNA)
where:
Base-Base interactions energy: -1545.274
where: short stacking energy: -661.163
Base-Backbone interact. energy: 5.386
local terms energy: -682.658109
where:
bonds (distance) C4'-P energy: -106.434
bonds (distance) P-C4' energy: -136.104
flat angles C4'-P-C4' energy: -139.940
flat angles P-C4'-P energy: -107.945
tors. eta vs tors. theta energy: -192.235
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: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2106.190766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.190766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.190766 (E_RNA)
where:
Base-Base interactions energy: -1448.726
where: short stacking energy: -637.814
Base-Backbone interact. energy: -0.529
local terms energy: -656.935684
where:
bonds (distance) C4'-P energy: -107.689
bonds (distance) P-C4' energy: -124.658
flat angles C4'-P-C4' energy: -150.981
flat angles P-C4'-P energy: -89.347
tors. eta vs tors. theta energy: -184.261
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: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1675.670271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.670271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.670271 (E_RNA)
where:
Base-Base interactions energy: -1097.249
where: short stacking energy: -515.605
Base-Backbone interact. energy: -2.612
local terms energy: -575.808462
where:
bonds (distance) C4'-P energy: -129.556
bonds (distance) P-C4' energy: -120.988
flat angles C4'-P-C4' energy: -128.364
flat angles P-C4'-P energy: -81.897
tors. eta vs tors. theta energy: -115.003
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: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1497.140787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.140787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.140787 (E_RNA)
where:
Base-Base interactions energy: -946.692
where: short stacking energy: -438.085
Base-Backbone interact. energy: -2.693
local terms energy: -547.755204
where:
bonds (distance) C4'-P energy: -110.769
bonds (distance) P-C4' energy: -120.450
flat angles C4'-P-C4' energy: -125.498
flat angles P-C4'-P energy: -86.373
tors. eta vs tors. theta energy: -104.665
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: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1079.304232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.304232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.304232 (E_RNA)
where:
Base-Base interactions energy: -643.167
where: short stacking energy: -292.694
Base-Backbone interact. energy: -1.324
local terms energy: -434.812953
where:
bonds (distance) C4'-P energy: -129.307
bonds (distance) P-C4' energy: -113.842
flat angles C4'-P-C4' energy: -112.346
flat angles P-C4'-P energy: -55.879
tors. eta vs tors. theta energy: -23.440
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: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -911.865453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.865453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.865453 (E_RNA)
where:
Base-Base interactions energy: -495.127
where: short stacking energy: -278.963
Base-Backbone interact. energy: 8.883
local terms energy: -425.621760
where:
bonds (distance) C4'-P energy: -126.507
bonds (distance) P-C4' energy: -115.334
flat angles C4'-P-C4' energy: -101.345
flat angles P-C4'-P energy: -58.997
tors. eta vs tors. theta energy: -23.439
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: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2604.411553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.411553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.411553 (E_RNA)
where:
Base-Base interactions energy: -1790.710
where: short stacking energy: -803.529
Base-Backbone interact. energy: -2.100
local terms energy: -811.601553
where:
bonds (distance) C4'-P energy: -144.783
bonds (distance) P-C4' energy: -140.251
flat angles C4'-P-C4' energy: -171.664
flat angles P-C4'-P energy: -119.967
tors. eta vs tors. theta energy: -234.937
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: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2514.197372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.197372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.197372 (E_RNA)
where:
Base-Base interactions energy: -1713.309
where: short stacking energy: -735.337
Base-Backbone interact. energy: -2.578
local terms energy: -798.310067
where:
bonds (distance) C4'-P energy: -151.796
bonds (distance) P-C4' energy: -148.955
flat angles C4'-P-C4' energy: -170.946
flat angles P-C4'-P energy: -108.806
tors. eta vs tors. theta energy: -217.806
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: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2403.349272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.349272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.349272 (E_RNA)
where:
Base-Base interactions energy: -1635.440
where: short stacking energy: -687.165
Base-Backbone interact. energy: -0.870
local terms energy: -767.039474
where:
bonds (distance) C4'-P energy: -141.065
bonds (distance) P-C4' energy: -157.088
flat angles C4'-P-C4' energy: -167.192
flat angles P-C4'-P energy: -101.138
tors. eta vs tors. theta energy: -200.556
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: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2379.034400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.034400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.034400 (E_RNA)
where:
Base-Base interactions energy: -1638.249
where: short stacking energy: -694.076
Base-Backbone interact. energy: -7.324
local terms energy: -733.461599
where:
bonds (distance) C4'-P energy: -137.881
bonds (distance) P-C4' energy: -139.774
flat angles C4'-P-C4' energy: -153.065
flat angles P-C4'-P energy: -98.953
tors. eta vs tors. theta energy: -203.789
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: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2260.398113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.398113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.398113 (E_RNA)
where:
Base-Base interactions energy: -1536.085
where: short stacking energy: -648.260
Base-Backbone interact. energy: -0.960
local terms energy: -723.353199
where:
bonds (distance) C4'-P energy: -140.097
bonds (distance) P-C4' energy: -135.939
flat angles C4'-P-C4' energy: -145.888
flat angles P-C4'-P energy: -104.062
tors. eta vs tors. theta energy: -197.366
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: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2133.801409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.801409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.801409 (E_RNA)
where:
Base-Base interactions energy: -1440.422
where: short stacking energy: -643.459
Base-Backbone interact. energy: 1.789
local terms energy: -695.169110
where:
bonds (distance) C4'-P energy: -122.927
bonds (distance) P-C4' energy: -141.265
flat angles C4'-P-C4' energy: -153.918
flat angles P-C4'-P energy: -98.661
tors. eta vs tors. theta energy: -178.398
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: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1698.353974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.353974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.353974 (E_RNA)
where:
Base-Base interactions energy: -1128.463
where: short stacking energy: -477.262
Base-Backbone interact. energy: -1.576
local terms energy: -568.314119
where:
bonds (distance) C4'-P energy: -115.966
bonds (distance) P-C4' energy: -125.754
flat angles C4'-P-C4' energy: -144.952
flat angles P-C4'-P energy: -70.101
tors. eta vs tors. theta energy: -111.541
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: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1451.069819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.069819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.069819 (E_RNA)
where:
Base-Base interactions energy: -930.627
where: short stacking energy: -401.926
Base-Backbone interact. energy: -0.182
local terms energy: -520.261493
where:
bonds (distance) C4'-P energy: -130.905
bonds (distance) P-C4' energy: -122.909
flat angles C4'-P-C4' energy: -111.273
flat angles P-C4'-P energy: -73.641
tors. eta vs tors. theta energy: -81.533
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: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1130.026053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.026053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.026053 (E_RNA)
where:
Base-Base interactions energy: -683.444
where: short stacking energy: -315.792
Base-Backbone interact. energy: -1.767
local terms energy: -444.814326
where:
bonds (distance) C4'-P energy: -125.475
bonds (distance) P-C4' energy: -107.885
flat angles C4'-P-C4' energy: -110.014
flat angles P-C4'-P energy: -52.931
tors. eta vs tors. theta energy: -48.510
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: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -916.930682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.930682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.930682 (E_RNA)
where:
Base-Base interactions energy: -523.433
where: short stacking energy: -282.666
Base-Backbone interact. energy: -1.672
local terms energy: -391.825381
where:
bonds (distance) C4'-P energy: -108.582
bonds (distance) P-C4' energy: -104.419
flat angles C4'-P-C4' energy: -120.321
flat angles P-C4'-P energy: -37.072
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: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2611.953186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.953186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.953186 (E_RNA)
where:
Base-Base interactions energy: -1804.434
where: short stacking energy: -775.201
Base-Backbone interact. energy: -0.917
local terms energy: -806.602466
where:
bonds (distance) C4'-P energy: -144.763
bonds (distance) P-C4' energy: -144.177
flat angles C4'-P-C4' energy: -172.135
flat angles P-C4'-P energy: -113.846
tors. eta vs tors. theta energy: -231.682
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: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2508.420990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.420990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.420990 (E_RNA)
where:
Base-Base interactions energy: -1735.429
where: short stacking energy: -740.325
Base-Backbone interact. energy: -1.563
local terms energy: -771.429356
where:
bonds (distance) C4'-P energy: -136.144
bonds (distance) P-C4' energy: -155.971
flat angles C4'-P-C4' energy: -151.073
flat angles P-C4'-P energy: -110.865
tors. eta vs tors. theta energy: -217.376
Dist. restrs. and SS energy: 0.000 (S_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: 299
Temperature: 1.000000
Total energy: -2475.921677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.921677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.921677 (E_RNA)
where:
Base-Base interactions energy: -1710.764
where: short stacking energy: -732.330
Base-Backbone interact. energy: -2.154
local terms energy: -763.003290
where:
bonds (distance) C4'-P energy: -135.741
bonds (distance) P-C4' energy: -130.287
flat angles C4'-P-C4' energy: -169.547
flat angles P-C4'-P energy: -102.919
tors. eta vs tors. theta energy: -224.510
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: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2390.899782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.899782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.899782 (E_RNA)
where:
Base-Base interactions energy: -1632.133
where: short stacking energy: -763.809
Base-Backbone interact. energy: 1.444
local terms energy: -760.211434
where:
bonds (distance) C4'-P energy: -118.906
bonds (distance) P-C4' energy: -139.888
flat angles C4'-P-C4' energy: -183.513
flat angles P-C4'-P energy: -95.028
tors. eta vs tors. theta energy: -222.876
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: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2237.344622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.344622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.344622 (E_RNA)
where:
Base-Base interactions energy: -1556.004
where: short stacking energy: -631.060
Base-Backbone interact. energy: -2.147
local terms energy: -679.193083
where:
bonds (distance) C4'-P energy: -116.672
bonds (distance) P-C4' energy: -143.328
flat angles C4'-P-C4' energy: -145.462
flat angles P-C4'-P energy: -111.231
tors. eta vs tors. theta energy: -162.501
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: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2119.505617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.505617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.505617 (E_RNA)
where:
Base-Base interactions energy: -1459.079
where: short stacking energy: -649.176
Base-Backbone interact. energy: -2.004
local terms energy: -658.423195
where:
bonds (distance) C4'-P energy: -115.737
bonds (distance) P-C4' energy: -122.126
flat angles C4'-P-C4' energy: -133.434
flat angles P-C4'-P energy: -99.585
tors. eta vs tors. theta energy: -187.542
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: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1791.996894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.996894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.996894 (E_RNA)
where:
Base-Base interactions energy: -1216.925
where: short stacking energy: -537.746
Base-Backbone interact. energy: -2.717
local terms energy: -572.354221
where:
bonds (distance) C4'-P energy: -115.633
bonds (distance) P-C4' energy: -129.554
flat angles C4'-P-C4' energy: -125.010
flat angles P-C4'-P energy: -75.579
tors. eta vs tors. theta energy: -126.579
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: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1384.502669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.502669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.502669 (E_RNA)
where:
Base-Base interactions energy: -912.978
where: short stacking energy: -396.392
Base-Backbone interact. energy: -4.654
local terms energy: -466.869917
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -104.554
flat angles C4'-P-C4' energy: -123.599
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -75.528
Dist. restrs. and SS energy: 0.000 (S_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: 299
Temperature: 1.300000
Total energy: -1106.689499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.689499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.689499 (E_RNA)
where:
Base-Base interactions energy: -644.454
where: short stacking energy: -284.159
Base-Backbone interact. energy: -0.407
local terms energy: -461.828284
where:
bonds (distance) C4'-P energy: -125.750
bonds (distance) P-C4' energy: -104.151
flat angles C4'-P-C4' energy: -108.622
flat angles P-C4'-P energy: -69.244
tors. eta vs tors. theta energy: -54.062
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: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -898.267044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.267044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.267044 (E_RNA)
where:
Base-Base interactions energy: -476.638
where: short stacking energy: -266.603
Base-Backbone interact. energy: -1.966
local terms energy: -419.663460
where:
bonds (distance) C4'-P energy: -105.141
bonds (distance) P-C4' energy: -122.942
flat angles C4'-P-C4' energy: -101.436
flat angles P-C4'-P energy: -74.751
tors. eta vs tors. theta energy: -15.393
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: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2592.492531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.492531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.492531 (E_RNA)
where:
Base-Base interactions energy: -1775.894
where: short stacking energy: -801.234
Base-Backbone interact. energy: 0.924
local terms energy: -817.522360
where:
bonds (distance) C4'-P energy: -135.204
bonds (distance) P-C4' energy: -152.505
flat angles C4'-P-C4' energy: -172.369
flat angles P-C4'-P energy: -113.115
tors. eta vs tors. theta energy: -244.329
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: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2535.390165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.390165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.390165 (E_RNA)
where:
Base-Base interactions energy: -1764.178
where: short stacking energy: -764.328
Base-Backbone interact. energy: -2.762
local terms energy: -768.449965
where:
bonds (distance) C4'-P energy: -132.522
bonds (distance) P-C4' energy: -143.758
flat angles C4'-P-C4' energy: -165.734
flat angles P-C4'-P energy: -104.384
tors. eta vs tors. theta energy: -222.052
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: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2476.179661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.179661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.179661 (E_RNA)
where:
Base-Base interactions energy: -1707.166
where: short stacking energy: -718.694
Base-Backbone interact. energy: -6.440
local terms energy: -762.574264
where:
bonds (distance) C4'-P energy: -159.072
bonds (distance) P-C4' energy: -128.137
flat angles C4'-P-C4' energy: -169.391
flat angles P-C4'-P energy: -93.444
tors. eta vs tors. theta energy: -212.530
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: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2355.806354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.806354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.806354 (E_RNA)
where:
Base-Base interactions energy: -1618.256
where: short stacking energy: -695.891
Base-Backbone interact. energy: -2.598
local terms energy: -734.952258
where:
bonds (distance) C4'-P energy: -124.353
bonds (distance) P-C4' energy: -140.289
flat angles C4'-P-C4' energy: -166.331
flat angles P-C4'-P energy: -87.399
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: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2268.963560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.963560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.963560 (E_RNA)
where:
Base-Base interactions energy: -1562.337
where: short stacking energy: -684.457
Base-Backbone interact. energy: -2.278
local terms energy: -704.348627
where:
bonds (distance) C4'-P energy: -134.656
bonds (distance) P-C4' energy: -123.043
flat angles C4'-P-C4' energy: -146.771
flat angles P-C4'-P energy: -102.877
tors. eta vs tors. theta energy: -197.002
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: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2081.868836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.868836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.868836 (E_RNA)
where:
Base-Base interactions energy: -1419.491
where: short stacking energy: -635.028
Base-Backbone interact. energy: -1.470
local terms energy: -660.907173
where:
bonds (distance) C4'-P energy: -126.523
bonds (distance) P-C4' energy: -119.500
flat angles C4'-P-C4' energy: -139.030
flat angles P-C4'-P energy: -94.072
tors. eta vs tors. theta energy: -181.782
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: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1713.619848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.619848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.619848 (E_RNA)
where:
Base-Base interactions energy: -1139.413
where: short stacking energy: -495.296
Base-Backbone interact. energy: 0.575
local terms energy: -574.781888
where:
bonds (distance) C4'-P energy: -99.981
bonds (distance) P-C4' energy: -138.224
flat angles C4'-P-C4' energy: -131.505
flat angles P-C4'-P energy: -79.182
tors. eta vs tors. theta energy: -125.889
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: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1431.291319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.291319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.291319 (E_RNA)
where:
Base-Base interactions energy: -929.779
where: short stacking energy: -412.567
Base-Backbone interact. energy: -1.270
local terms energy: -500.242146
where:
bonds (distance) C4'-P energy: -113.020
bonds (distance) P-C4' energy: -131.807
flat angles C4'-P-C4' energy: -100.612
flat angles P-C4'-P energy: -73.295
tors. eta vs tors. theta energy: -81.507
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: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1097.034175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.034175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.034175 (E_RNA)
where:
Base-Base interactions energy: -677.750
where: short stacking energy: -324.262
Base-Backbone interact. energy: -1.063
local terms energy: -418.220481
where:
bonds (distance) C4'-P energy: -93.346
bonds (distance) P-C4' energy: -112.955
flat angles C4'-P-C4' energy: -101.510
flat angles P-C4'-P energy: -57.373
tors. eta vs tors. theta energy: -53.036
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: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -884.997637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.997637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.997637 (E_RNA)
where:
Base-Base interactions energy: -470.037
where: short stacking energy: -247.292
Base-Backbone interact. energy: -3.284
local terms energy: -411.677498
where:
bonds (distance) C4'-P energy: -97.951
bonds (distance) P-C4' energy: -122.442
flat angles C4'-P-C4' energy: -100.468
flat angles P-C4'-P energy: -68.033
tors. eta vs tors. theta energy: -22.784
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: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2608.958519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.958519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.958519 (E_RNA)
where:
Base-Base interactions energy: -1796.154
where: short stacking energy: -785.344
Base-Backbone interact. energy: 3.429
local terms energy: -816.233515
where:
bonds (distance) C4'-P energy: -144.054
bonds (distance) P-C4' energy: -143.358
flat angles C4'-P-C4' energy: -175.658
flat angles P-C4'-P energy: -119.569
tors. eta vs tors. theta energy: -233.596
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: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2535.078381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.078381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.078381 (E_RNA)
where:
Base-Base interactions energy: -1746.048
where: short stacking energy: -758.901
Base-Backbone interact. energy: -5.721
local terms energy: -783.310206
where:
bonds (distance) C4'-P energy: -146.735
bonds (distance) P-C4' energy: -145.039
flat angles C4'-P-C4' energy: -162.407
flat angles P-C4'-P energy: -109.181
tors. eta vs tors. theta energy: -219.950
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: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2401.971199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.971199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.971199 (E_RNA)
where:
Base-Base interactions energy: -1675.239
where: short stacking energy: -719.702
Base-Backbone interact. energy: -2.526
local terms energy: -724.206372
where:
bonds (distance) C4'-P energy: -119.035
bonds (distance) P-C4' energy: -140.358
flat angles C4'-P-C4' energy: -158.337
flat angles P-C4'-P energy: -93.818
tors. eta vs tors. theta energy: -212.660
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: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2365.150340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.150340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.150340 (E_RNA)
where:
Base-Base interactions energy: -1632.328
where: short stacking energy: -704.425
Base-Backbone interact. energy: -3.185
local terms energy: -729.637186
where:
bonds (distance) C4'-P energy: -141.406
bonds (distance) P-C4' energy: -105.055
flat angles C4'-P-C4' energy: -153.284
flat angles P-C4'-P energy: -117.656
tors. eta vs tors. theta energy: -212.236
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: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2247.541541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.541541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.541541 (E_RNA)
where:
Base-Base interactions energy: -1552.977
where: short stacking energy: -635.105
Base-Backbone interact. energy: -1.563
local terms energy: -693.001307
where:
bonds (distance) C4'-P energy: -116.742
bonds (distance) P-C4' energy: -141.014
flat angles C4'-P-C4' energy: -146.708
flat angles P-C4'-P energy: -97.213
tors. eta vs tors. theta energy: -191.324
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: 301
Temperature: 1.150000
Total energy: -2062.792837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.792837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.792837 (E_RNA)
where:
Base-Base interactions energy: -1410.574
where: short stacking energy: -626.644
Base-Backbone interact. energy: -1.736
local terms energy: -650.482722
where:
bonds (distance) C4'-P energy: -105.621
bonds (distance) P-C4' energy: -136.593
flat angles C4'-P-C4' energy: -130.602
flat angles P-C4'-P energy: -97.369
tors. eta vs tors. theta energy: -180.297
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: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1678.470970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.470970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.470970 (E_RNA)
where:
Base-Base interactions energy: -1122.131
where: short stacking energy: -502.769
Base-Backbone interact. energy: 0.433
local terms energy: -556.772332
where:
bonds (distance) C4'-P energy: -124.838
bonds (distance) P-C4' energy: -125.848
flat angles C4'-P-C4' energy: -128.975
flat angles P-C4'-P energy: -74.538
tors. eta vs tors. theta energy: -102.572
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: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1423.109200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.109200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.109200 (E_RNA)
where:
Base-Base interactions energy: -896.387
where: short stacking energy: -405.130
Base-Backbone interact. energy: -4.628
local terms energy: -522.093861
where:
bonds (distance) C4'-P energy: -114.762
bonds (distance) P-C4' energy: -131.642
flat angles C4'-P-C4' energy: -112.950
flat angles P-C4'-P energy: -77.028
tors. eta vs tors. theta energy: -85.712
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: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1074.694890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.694890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.694890 (E_RNA)
where:
Base-Base interactions energy: -637.637
where: short stacking energy: -286.783
Base-Backbone interact. energy: -4.812
local terms energy: -432.245902
where:
bonds (distance) C4'-P energy: -117.841
bonds (distance) P-C4' energy: -107.232
flat angles C4'-P-C4' energy: -114.553
flat angles P-C4'-P energy: -61.643
tors. eta vs tors. theta energy: -30.977
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: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -922.583934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.583934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.583934 (E_RNA)
where:
Base-Base interactions energy: -498.616
where: short stacking energy: -259.024
Base-Backbone interact. energy: -1.992
local terms energy: -421.976294
where:
bonds (distance) C4'-P energy: -120.675
bonds (distance) P-C4' energy: -118.409
flat angles C4'-P-C4' energy: -109.309
flat angles P-C4'-P energy: -72.203
tors. eta vs tors. theta energy: -1.380
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: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2612.361728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.361728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.361728 (E_RNA)
where:
Base-Base interactions energy: -1820.627
where: short stacking energy: -817.253
Base-Backbone interact. energy: -2.208
local terms energy: -789.526961
where:
bonds (distance) C4'-P energy: -129.459
bonds (distance) P-C4' energy: -139.239
flat angles C4'-P-C4' energy: -164.737
flat angles P-C4'-P energy: -116.115
tors. eta vs tors. theta energy: -239.977
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: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2531.846935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.846935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.846935 (E_RNA)
where:
Base-Base interactions energy: -1773.018
where: short stacking energy: -741.959
Base-Backbone interact. energy: -3.124
local terms energy: -755.704737
where:
bonds (distance) C4'-P energy: -142.027
bonds (distance) P-C4' energy: -143.918
flat angles C4'-P-C4' energy: -160.786
flat angles P-C4'-P energy: -92.700
tors. eta vs tors. theta energy: -216.275
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: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2407.896728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.896728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.896728 (E_RNA)
where:
Base-Base interactions energy: -1673.586
where: short stacking energy: -673.458
Base-Backbone interact. energy: -1.790
local terms energy: -732.520676
where:
bonds (distance) C4'-P energy: -126.692
bonds (distance) P-C4' energy: -142.516
flat angles C4'-P-C4' energy: -153.374
flat angles P-C4'-P energy: -106.877
tors. eta vs tors. theta energy: -203.061
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: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2362.576609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.576609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.576609 (E_RNA)
where:
Base-Base interactions energy: -1653.982
where: short stacking energy: -705.833
Base-Backbone interact. energy: -3.295
local terms energy: -705.299143
where:
bonds (distance) C4'-P energy: -121.052
bonds (distance) P-C4' energy: -132.784
flat angles C4'-P-C4' energy: -147.890
flat angles P-C4'-P energy: -97.123
tors. eta vs tors. theta energy: -206.450
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: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2263.996891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.996891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.996891 (E_RNA)
where:
Base-Base interactions energy: -1552.504
where: short stacking energy: -621.752
Base-Backbone interact. energy: -2.575
local terms energy: -708.917316
where:
bonds (distance) C4'-P energy: -130.729
bonds (distance) P-C4' energy: -129.339
flat angles C4'-P-C4' energy: -154.685
flat angles P-C4'-P energy: -106.422
tors. eta vs tors. theta energy: -187.743
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: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2112.303527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.303527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.303527 (E_RNA)
where:
Base-Base interactions energy: -1445.462
where: short stacking energy: -632.334
Base-Backbone interact. energy: -2.138
local terms energy: -664.703097
where:
bonds (distance) C4'-P energy: -121.090
bonds (distance) P-C4' energy: -111.117
flat angles C4'-P-C4' energy: -151.919
flat angles P-C4'-P energy: -101.666
tors. eta vs tors. theta energy: -178.911
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: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1768.916203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.916203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.916203 (E_RNA)
where:
Base-Base interactions energy: -1177.645
where: short stacking energy: -523.872
Base-Backbone interact. energy: -1.659
local terms energy: -589.612828
where:
bonds (distance) C4'-P energy: -126.923
bonds (distance) P-C4' energy: -111.810
flat angles C4'-P-C4' energy: -141.313
flat angles P-C4'-P energy: -83.841
tors. eta vs tors. theta energy: -125.725
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: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1476.179858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.179858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.179858 (E_RNA)
where:
Base-Base interactions energy: -957.612
where: short stacking energy: -443.492
Base-Backbone interact. energy: 0.216
local terms energy: -518.783744
where:
bonds (distance) C4'-P energy: -110.030
bonds (distance) P-C4' energy: -119.852
flat angles C4'-P-C4' energy: -133.183
flat angles P-C4'-P energy: -79.939
tors. eta vs tors. theta energy: -75.781
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: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -960.132486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.132486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.132486 (E_RNA)
where:
Base-Base interactions energy: -528.515
where: short stacking energy: -290.969
Base-Backbone interact. energy: 10.255
local terms energy: -441.872376
where:
bonds (distance) C4'-P energy: -107.491
bonds (distance) P-C4' energy: -122.307
flat angles C4'-P-C4' energy: -111.696
flat angles P-C4'-P energy: -72.148
tors. eta vs tors. theta energy: -28.231
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: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -981.136005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.136005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.136005 (E_RNA)
where:
Base-Base interactions energy: -566.569
where: short stacking energy: -292.957
Base-Backbone interact. energy: 2.515
local terms energy: -417.081862
where:
bonds (distance) C4'-P energy: -106.637
bonds (distance) P-C4' energy: -114.001
flat angles C4'-P-C4' energy: -133.129
flat angles P-C4'-P energy: -45.683
tors. eta vs tors. theta energy: -17.631
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: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2641.473248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.473248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.473248 (E_RNA)
where:
Base-Base interactions energy: -1828.650
where: short stacking energy: -803.918
Base-Backbone interact. energy: -0.962
local terms energy: -811.861292
where:
bonds (distance) C4'-P energy: -139.793
bonds (distance) P-C4' energy: -145.387
flat angles C4'-P-C4' energy: -167.106
flat angles P-C4'-P energy: -119.599
tors. eta vs tors. theta energy: -239.977
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: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2442.663206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.663206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.663206 (E_RNA)
where:
Base-Base interactions energy: -1668.662
where: short stacking energy: -710.000
Base-Backbone interact. energy: -3.673
local terms energy: -770.328384
where:
bonds (distance) C4'-P energy: -138.068
bonds (distance) P-C4' energy: -139.199
flat angles C4'-P-C4' energy: -180.904
flat angles P-C4'-P energy: -106.797
tors. eta vs tors. theta energy: -205.360
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: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2449.678500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.678500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.678500 (E_RNA)
where:
Base-Base interactions energy: -1726.402
where: short stacking energy: -717.672
Base-Backbone interact. energy: 2.097
local terms energy: -725.372886
where:
bonds (distance) C4'-P energy: -131.981
bonds (distance) P-C4' energy: -139.294
flat angles C4'-P-C4' energy: -153.649
flat angles P-C4'-P energy: -108.920
tors. eta vs tors. theta energy: -191.528
Dist. restrs. and SS energy: 0.000 (S_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: -2349.241182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.241182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.241182 (E_RNA)
where:
Base-Base interactions energy: -1625.468
where: short stacking energy: -692.223
Base-Backbone interact. energy: -1.865
local terms energy: -721.908164
where:
bonds (distance) C4'-P energy: -117.606
bonds (distance) P-C4' energy: -133.797
flat angles C4'-P-C4' energy: -153.216
flat angles P-C4'-P energy: -115.459
tors. eta vs tors. theta energy: -201.829
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: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2282.445235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.445235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.445235 (E_RNA)
where:
Base-Base interactions energy: -1562.138
where: short stacking energy: -695.098
Base-Backbone interact. energy: -3.978
local terms energy: -716.329176
where:
bonds (distance) C4'-P energy: -125.509
bonds (distance) P-C4' energy: -134.534
flat angles C4'-P-C4' energy: -154.167
flat angles P-C4'-P energy: -99.406
tors. eta vs tors. theta energy: -202.714
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: 303
Temperature: 1.150000
Total energy: -2101.289032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.289032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.289032 (E_RNA)
where:
Base-Base interactions energy: -1453.987
where: short stacking energy: -632.139
Base-Backbone interact. energy: -3.394
local terms energy: -643.908703
where:
bonds (distance) C4'-P energy: -123.978
bonds (distance) P-C4' energy: -121.385
flat angles C4'-P-C4' energy: -144.401
flat angles P-C4'-P energy: -67.274
tors. eta vs tors. theta energy: -186.870
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: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1755.905947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.905947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.905947 (E_RNA)
where:
Base-Base interactions energy: -1139.963
where: short stacking energy: -507.906
Base-Backbone interact. energy: -1.160
local terms energy: -614.782136
where:
bonds (distance) C4'-P energy: -125.756
bonds (distance) P-C4' energy: -133.516
flat angles C4'-P-C4' energy: -138.898
flat angles P-C4'-P energy: -90.901
tors. eta vs tors. theta energy: -125.712
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: 8, replica: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1504.288952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.288952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.288952 (E_RNA)
where:
Base-Base interactions energy: -960.363
where: short stacking energy: -463.885
Base-Backbone interact. energy: -2.416
local terms energy: -541.509755
where:
bonds (distance) C4'-P energy: -114.678
bonds (distance) P-C4' energy: -125.383
flat angles C4'-P-C4' energy: -123.370
flat angles P-C4'-P energy: -74.952
tors. eta vs tors. theta energy: -103.127
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: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1104.603963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.603963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.603963 (E_RNA)
where:
Base-Base interactions energy: -617.636
where: short stacking energy: -293.357
Base-Backbone interact. energy: -2.051
local terms energy: -484.916815
where:
bonds (distance) C4'-P energy: -138.897
bonds (distance) P-C4' energy: -115.789
flat angles C4'-P-C4' energy: -117.620
flat angles P-C4'-P energy: -72.387
tors. eta vs tors. theta energy: -40.224
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: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -935.155525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.155525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.155525 (E_RNA)
where:
Base-Base interactions energy: -510.201
where: short stacking energy: -269.267
Base-Backbone interact. energy: 3.475
local terms energy: -428.429384
where:
bonds (distance) C4'-P energy: -109.049
bonds (distance) P-C4' energy: -122.787
flat angles C4'-P-C4' energy: -99.566
flat angles P-C4'-P energy: -61.842
tors. eta vs tors. theta energy: -35.185
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: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2615.006136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.006136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.006136 (E_RNA)
where:
Base-Base interactions energy: -1809.794
where: short stacking energy: -776.804
Base-Backbone interact. energy: -1.796
local terms energy: -803.415856
where:
bonds (distance) C4'-P energy: -148.538
bonds (distance) P-C4' energy: -138.202
flat angles C4'-P-C4' energy: -169.397
flat angles P-C4'-P energy: -105.202
tors. eta vs tors. theta energy: -242.077
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: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2505.130888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.130888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.130888 (E_RNA)
where:
Base-Base interactions energy: -1741.057
where: short stacking energy: -753.031
Base-Backbone interact. energy: -0.218
local terms energy: -763.856104
where:
bonds (distance) C4'-P energy: -148.193
bonds (distance) P-C4' energy: -124.991
flat angles C4'-P-C4' energy: -157.274
flat angles P-C4'-P energy: -113.002
tors. eta vs tors. theta energy: -220.395
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: 304
Temperature: 1.000000
Total energy: -2414.244597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.244597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.244597 (E_RNA)
where:
Base-Base interactions energy: -1686.960
where: short stacking energy: -698.891
Base-Backbone interact. energy: -4.444
local terms energy: -722.840565
where:
bonds (distance) C4'-P energy: -123.022
bonds (distance) P-C4' energy: -147.727
flat angles C4'-P-C4' energy: -151.003
flat angles P-C4'-P energy: -107.183
tors. eta vs tors. theta energy: -193.906
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: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2316.109925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.109925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.109925 (E_RNA)
where:
Base-Base interactions energy: -1602.881
where: short stacking energy: -668.873
Base-Backbone interact. energy: -2.763
local terms energy: -710.466121
where:
bonds (distance) C4'-P energy: -116.115
bonds (distance) P-C4' energy: -138.055
flat angles C4'-P-C4' energy: -148.548
flat angles P-C4'-P energy: -112.729
tors. eta vs tors. theta energy: -195.019
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: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2300.822368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.822368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.822368 (E_RNA)
where:
Base-Base interactions energy: -1582.636
where: short stacking energy: -702.407
Base-Backbone interact. energy: -3.342
local terms energy: -714.844201
where:
bonds (distance) C4'-P energy: -124.388
bonds (distance) P-C4' energy: -128.074
flat angles C4'-P-C4' energy: -160.736
flat angles P-C4'-P energy: -102.392
tors. eta vs tors. theta energy: -199.253
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: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2178.437464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.437464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.437464 (E_RNA)
where:
Base-Base interactions energy: -1505.110
where: short stacking energy: -640.626
Base-Backbone interact. energy: -2.336
local terms energy: -670.990830
where:
bonds (distance) C4'-P energy: -126.941
bonds (distance) P-C4' energy: -125.992
flat angles C4'-P-C4' energy: -137.502
flat angles P-C4'-P energy: -93.160
tors. eta vs tors. theta energy: -187.397
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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1756.632301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.632301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.632301 (E_RNA)
where:
Base-Base interactions energy: -1186.462
where: short stacking energy: -488.432
Base-Backbone interact. energy: -1.788
local terms energy: -568.382414
where:
bonds (distance) C4'-P energy: -127.290
bonds (distance) P-C4' energy: -112.973
flat angles C4'-P-C4' energy: -136.489
flat angles P-C4'-P energy: -71.709
tors. eta vs tors. theta energy: -119.922
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: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1449.181452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.181452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.181452 (E_RNA)
where:
Base-Base interactions energy: -914.553
where: short stacking energy: -406.557
Base-Backbone interact. energy: -1.082
local terms energy: -533.547052
where:
bonds (distance) C4'-P energy: -118.939
bonds (distance) P-C4' energy: -124.860
flat angles C4'-P-C4' energy: -123.905
flat angles P-C4'-P energy: -80.134
tors. eta vs tors. theta energy: -85.709
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: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1138.719390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.719390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.719390 (E_RNA)
where:
Base-Base interactions energy: -657.641
where: short stacking energy: -315.711
Base-Backbone interact. energy: -1.722
local terms energy: -479.355690
where:
bonds (distance) C4'-P energy: -117.052
bonds (distance) P-C4' energy: -119.113
flat angles C4'-P-C4' energy: -133.694
flat angles P-C4'-P energy: -68.132
tors. eta vs tors. theta energy: -41.365
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: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -880.734188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.734188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.734188 (E_RNA)
where:
Base-Base interactions energy: -468.484
where: short stacking energy: -233.018
Base-Backbone interact. energy: -1.066
local terms energy: -411.184345
where:
bonds (distance) C4'-P energy: -115.971
bonds (distance) P-C4' energy: -128.714
flat angles C4'-P-C4' energy: -99.854
flat angles P-C4'-P energy: -60.592
tors. eta vs tors. theta energy: -6.052
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: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2625.884409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.884409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.884409 (E_RNA)
where:
Base-Base interactions energy: -1805.716
where: short stacking energy: -805.651
Base-Backbone interact. energy: -2.477
local terms energy: -817.691188
where:
bonds (distance) C4'-P energy: -148.002
bonds (distance) P-C4' energy: -143.970
flat angles C4'-P-C4' energy: -166.437
flat angles P-C4'-P energy: -113.803
tors. eta vs tors. theta energy: -245.479
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2482.354546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.354546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.354546 (E_RNA)
where:
Base-Base interactions energy: -1702.823
where: short stacking energy: -696.290
Base-Backbone interact. energy: -0.525
local terms energy: -779.005935
where:
bonds (distance) C4'-P energy: -143.601
bonds (distance) P-C4' energy: -156.604
flat angles C4'-P-C4' energy: -159.932
flat angles P-C4'-P energy: -120.310
tors. eta vs tors. theta energy: -198.558
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: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2446.132375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.132375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.132375 (E_RNA)
where:
Base-Base interactions energy: -1698.138
where: short stacking energy: -726.831
Base-Backbone interact. energy: -2.107
local terms energy: -745.887044
where:
bonds (distance) C4'-P energy: -148.445
bonds (distance) P-C4' energy: -136.344
flat angles C4'-P-C4' energy: -156.260
flat angles P-C4'-P energy: -94.176
tors. eta vs tors. theta energy: -210.662
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: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2329.455464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.455464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.455464 (E_RNA)
where:
Base-Base interactions energy: -1631.864
where: short stacking energy: -678.958
Base-Backbone interact. energy: -4.317
local terms energy: -693.274456
where:
bonds (distance) C4'-P energy: -122.390
bonds (distance) P-C4' energy: -131.827
flat angles C4'-P-C4' energy: -157.497
flat angles P-C4'-P energy: -78.663
tors. eta vs tors. theta energy: -202.897
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: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2286.927582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.927582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.927582 (E_RNA)
where:
Base-Base interactions energy: -1573.362
where: short stacking energy: -665.261
Base-Backbone interact. energy: 1.919
local terms energy: -715.483739
where:
bonds (distance) C4'-P energy: -124.162
bonds (distance) P-C4' energy: -142.105
flat angles C4'-P-C4' energy: -161.492
flat angles P-C4'-P energy: -93.931
tors. eta vs tors. theta energy: -193.793
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: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2126.531899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.531899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.531899 (E_RNA)
where:
Base-Base interactions energy: -1446.220
where: short stacking energy: -617.495
Base-Backbone interact. energy: -3.619
local terms energy: -676.693168
where:
bonds (distance) C4'-P energy: -141.507
bonds (distance) P-C4' energy: -106.167
flat angles C4'-P-C4' energy: -147.713
flat angles P-C4'-P energy: -101.106
tors. eta vs tors. theta energy: -180.200
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: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1768.392673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.392673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.392673 (E_RNA)
where:
Base-Base interactions energy: -1169.003
where: short stacking energy: -515.545
Base-Backbone interact. energy: -3.359
local terms energy: -596.030569
where:
bonds (distance) C4'-P energy: -128.297
bonds (distance) P-C4' energy: -156.239
flat angles C4'-P-C4' energy: -125.827
flat angles P-C4'-P energy: -58.381
tors. eta vs tors. theta energy: -127.286
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: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1475.911018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.911018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.911018 (E_RNA)
where:
Base-Base interactions energy: -962.591
where: short stacking energy: -404.166
Base-Backbone interact. energy: -2.150
local terms energy: -511.169605
where:
bonds (distance) C4'-P energy: -116.087
bonds (distance) P-C4' energy: -123.540
flat angles C4'-P-C4' energy: -116.031
flat angles P-C4'-P energy: -74.443
tors. eta vs tors. theta energy: -81.069
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: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1006.811036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.811036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.811036 (E_RNA)
where:
Base-Base interactions energy: -558.306
where: short stacking energy: -270.968
Base-Backbone interact. energy: -2.052
local terms energy: -446.452394
where:
bonds (distance) C4'-P energy: -128.173
bonds (distance) P-C4' energy: -107.214
flat angles C4'-P-C4' energy: -102.406
flat angles P-C4'-P energy: -74.597
tors. eta vs tors. theta energy: -34.062
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: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -908.326605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.326605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.326605 (E_RNA)
where:
Base-Base interactions energy: -498.514
where: short stacking energy: -255.845
Base-Backbone interact. energy: 3.760
local terms energy: -413.572557
where:
bonds (distance) C4'-P energy: -105.020
bonds (distance) P-C4' energy: -106.627
flat angles C4'-P-C4' energy: -109.797
flat angles P-C4'-P energy: -87.436
tors. eta vs tors. theta energy: -4.693
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: 306
Temperature: 0.900000
Total energy: -2624.177218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.177218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.177218 (E_RNA)
where:
Base-Base interactions energy: -1822.839
where: short stacking energy: -810.944
Base-Backbone interact. energy: -4.274
local terms energy: -797.063503
where:
bonds (distance) C4'-P energy: -128.455
bonds (distance) P-C4' energy: -142.279
flat angles C4'-P-C4' energy: -166.896
flat angles P-C4'-P energy: -120.262
tors. eta vs tors. theta energy: -239.170
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: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2476.517514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.517514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.517514 (E_RNA)
where:
Base-Base interactions energy: -1707.934
where: short stacking energy: -730.187
Base-Backbone interact. energy: -5.651
local terms energy: -762.932485
where:
bonds (distance) C4'-P energy: -145.800
bonds (distance) P-C4' energy: -136.357
flat angles C4'-P-C4' energy: -163.273
flat angles P-C4'-P energy: -110.912
tors. eta vs tors. theta energy: -206.590
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: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2430.407075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.407075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.407075 (E_RNA)
where:
Base-Base interactions energy: -1671.503
where: short stacking energy: -711.204
Base-Backbone interact. energy: -0.395
local terms energy: -758.509479
where:
bonds (distance) C4'-P energy: -134.060
bonds (distance) P-C4' energy: -137.150
flat angles C4'-P-C4' energy: -163.178
flat angles P-C4'-P energy: -111.931
tors. eta vs tors. theta energy: -212.190
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: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2346.525383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.525383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.525383 (E_RNA)
where:
Base-Base interactions energy: -1642.000
where: short stacking energy: -740.380
Base-Backbone interact. energy: 2.189
local terms energy: -706.714240
where:
bonds (distance) C4'-P energy: -115.392
bonds (distance) P-C4' energy: -132.009
flat angles C4'-P-C4' energy: -146.891
flat angles P-C4'-P energy: -102.323
tors. eta vs tors. theta energy: -210.100
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: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2290.381741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.381741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.381741 (E_RNA)
where:
Base-Base interactions energy: -1587.150
where: short stacking energy: -664.770
Base-Backbone interact. energy: -4.192
local terms energy: -699.039841
where:
bonds (distance) C4'-P energy: -127.781
bonds (distance) P-C4' energy: -137.536
flat angles C4'-P-C4' energy: -146.688
flat angles P-C4'-P energy: -85.749
tors. eta vs tors. theta energy: -201.286
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: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2108.004196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.004196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.004196 (E_RNA)
where:
Base-Base interactions energy: -1427.109
where: short stacking energy: -633.715
Base-Backbone interact. energy: -0.686
local terms energy: -680.208673
where:
bonds (distance) C4'-P energy: -136.539
bonds (distance) P-C4' energy: -129.646
flat angles C4'-P-C4' energy: -127.868
flat angles P-C4'-P energy: -97.437
tors. eta vs tors. theta energy: -188.718
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: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1762.244029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.244029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.244029 (E_RNA)
where:
Base-Base interactions energy: -1171.512
where: short stacking energy: -525.917
Base-Backbone interact. energy: -0.121
local terms energy: -590.610707
where:
bonds (distance) C4'-P energy: -120.161
bonds (distance) P-C4' energy: -122.861
flat angles C4'-P-C4' energy: -130.461
flat angles P-C4'-P energy: -81.273
tors. eta vs tors. theta energy: -135.854
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: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1483.559910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.559910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.559910 (E_RNA)
where:
Base-Base interactions energy: -942.187
where: short stacking energy: -434.924
Base-Backbone interact. energy: 1.940
local terms energy: -543.312369
where:
bonds (distance) C4'-P energy: -121.494
bonds (distance) P-C4' energy: -120.047
flat angles C4'-P-C4' energy: -127.269
flat angles P-C4'-P energy: -72.422
tors. eta vs tors. theta energy: -102.080
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: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1008.777682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.777682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.777682 (E_RNA)
where:
Base-Base interactions energy: -573.149
where: short stacking energy: -269.743
Base-Backbone interact. energy: -3.547
local terms energy: -432.082201
where:
bonds (distance) C4'-P energy: -115.142
bonds (distance) P-C4' energy: -116.642
flat angles C4'-P-C4' energy: -108.549
flat angles P-C4'-P energy: -73.716
tors. eta vs tors. theta energy: -18.033
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: 10, replica: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -913.806180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.806180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.806180 (E_RNA)
where:
Base-Base interactions energy: -522.113
where: short stacking energy: -276.204
Base-Backbone interact. energy: 5.206
local terms energy: -396.899079
where:
bonds (distance) C4'-P energy: -89.768
bonds (distance) P-C4' energy: -123.809
flat angles C4'-P-C4' energy: -104.379
flat angles P-C4'-P energy: -67.306
tors. eta vs tors. theta energy: -11.637
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: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2621.295548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.295548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.295548 (E_RNA)
where:
Base-Base interactions energy: -1785.433
where: short stacking energy: -782.541
Base-Backbone interact. energy: -2.549
local terms energy: -833.313385
where:
bonds (distance) C4'-P energy: -147.604
bonds (distance) P-C4' energy: -154.756
flat angles C4'-P-C4' energy: -174.325
flat angles P-C4'-P energy: -115.871
tors. eta vs tors. theta energy: -240.759
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: 307
Temperature: 0.950000
Total energy: -2520.318772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.318772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.318772 (E_RNA)
where:
Base-Base interactions energy: -1742.980
where: short stacking energy: -762.604
Base-Backbone interact. energy: -2.446
local terms energy: -774.892223
where:
bonds (distance) C4'-P energy: -126.980
bonds (distance) P-C4' energy: -144.623
flat angles C4'-P-C4' energy: -174.681
flat angles P-C4'-P energy: -110.211
tors. eta vs tors. theta energy: -218.397
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: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2468.272736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.272736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.272736 (E_RNA)
where:
Base-Base interactions energy: -1707.686
where: short stacking energy: -717.856
Base-Backbone interact. energy: -2.612
local terms energy: -757.974596
where:
bonds (distance) C4'-P energy: -138.439
bonds (distance) P-C4' energy: -142.580
flat angles C4'-P-C4' energy: -166.318
flat angles P-C4'-P energy: -101.123
tors. eta vs tors. theta energy: -209.514
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: 307
Temperature: 1.050000
Total energy: -2307.287637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.287637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.287637 (E_RNA)
where:
Base-Base interactions energy: -1587.672
where: short stacking energy: -683.465
Base-Backbone interact. energy: 0.731
local terms energy: -720.346920
where:
bonds (distance) C4'-P energy: -130.622
bonds (distance) P-C4' energy: -135.535
flat angles C4'-P-C4' energy: -138.829
flat angles P-C4'-P energy: -121.287
tors. eta vs tors. theta energy: -194.074
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: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2296.659500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.659500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.659500 (E_RNA)
where:
Base-Base interactions energy: -1581.369
where: short stacking energy: -685.574
Base-Backbone interact. energy: -1.375
local terms energy: -713.915205
where:
bonds (distance) C4'-P energy: -123.516
bonds (distance) P-C4' energy: -124.432
flat angles C4'-P-C4' energy: -160.749
flat angles P-C4'-P energy: -107.509
tors. eta vs tors. theta energy: -197.710
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: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2147.852251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.852251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.852251 (E_RNA)
where:
Base-Base interactions energy: -1463.057
where: short stacking energy: -666.252
Base-Backbone interact. energy: -2.399
local terms energy: -682.396736
where:
bonds (distance) C4'-P energy: -131.201
bonds (distance) P-C4' energy: -124.347
flat angles C4'-P-C4' energy: -151.828
flat angles P-C4'-P energy: -87.679
tors. eta vs tors. theta energy: -187.342
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: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1761.149923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.149923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.149923 (E_RNA)
where:
Base-Base interactions energy: -1176.084
where: short stacking energy: -517.970
Base-Backbone interact. energy: -3.014
local terms energy: -582.052149
where:
bonds (distance) C4'-P energy: -114.182
bonds (distance) P-C4' energy: -116.932
flat angles C4'-P-C4' energy: -133.526
flat angles P-C4'-P energy: -97.019
tors. eta vs tors. theta energy: -120.393
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: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1511.880532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.880532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.880532 (E_RNA)
where:
Base-Base interactions energy: -943.502
where: short stacking energy: -418.685
Base-Backbone interact. energy: -2.260
local terms energy: -566.118662
where:
bonds (distance) C4'-P energy: -135.467
bonds (distance) P-C4' energy: -116.484
flat angles C4'-P-C4' energy: -131.610
flat angles P-C4'-P energy: -86.388
tors. eta vs tors. theta energy: -96.170
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: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1015.339774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.339774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.339774 (E_RNA)
where:
Base-Base interactions energy: -529.051
where: short stacking energy: -284.088
Base-Backbone interact. energy: -2.410
local terms energy: -483.879286
where:
bonds (distance) C4'-P energy: -111.091
bonds (distance) P-C4' energy: -119.499
flat angles C4'-P-C4' energy: -125.454
flat angles P-C4'-P energy: -85.104
tors. eta vs tors. theta energy: -42.732
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: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -859.007378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.007378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.007378 (E_RNA)
where:
Base-Base interactions energy: -467.873
where: short stacking energy: -253.205
Base-Backbone interact. energy: 3.614
local terms energy: -394.748116
where:
bonds (distance) C4'-P energy: -92.835
bonds (distance) P-C4' energy: -110.538
flat angles C4'-P-C4' energy: -106.344
flat angles P-C4'-P energy: -71.914
tors. eta vs tors. theta energy: -13.117
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: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2620.313005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.313005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.313005 (E_RNA)
where:
Base-Base interactions energy: -1804.117
where: short stacking energy: -786.811
Base-Backbone interact. energy: -3.685
local terms energy: -812.511224
where:
bonds (distance) C4'-P energy: -141.156
bonds (distance) P-C4' energy: -146.576
flat angles C4'-P-C4' energy: -172.449
flat angles P-C4'-P energy: -111.661
tors. eta vs tors. theta energy: -240.668
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: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2532.124789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.124789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.124789 (E_RNA)
where:
Base-Base interactions energy: -1748.636
where: short stacking energy: -751.297
Base-Backbone interact. energy: -2.600
local terms energy: -780.888920
where:
bonds (distance) C4'-P energy: -138.083
bonds (distance) P-C4' energy: -148.102
flat angles C4'-P-C4' energy: -163.467
flat angles P-C4'-P energy: -107.360
tors. eta vs tors. theta energy: -223.878
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: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2449.214573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.214573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.214573 (E_RNA)
where:
Base-Base interactions energy: -1670.317
where: short stacking energy: -731.762
Base-Backbone interact. energy: -6.500
local terms energy: -772.396885
where:
bonds (distance) C4'-P energy: -139.058
bonds (distance) P-C4' energy: -141.850
flat angles C4'-P-C4' energy: -172.545
flat angles P-C4'-P energy: -101.873
tors. eta vs tors. theta energy: -217.071
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: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2299.656756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.656756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.656756 (E_RNA)
where:
Base-Base interactions energy: -1554.023
where: short stacking energy: -669.521
Base-Backbone interact. energy: -1.889
local terms energy: -743.745141
where:
bonds (distance) C4'-P energy: -125.056
bonds (distance) P-C4' energy: -141.513
flat angles C4'-P-C4' energy: -159.416
flat angles P-C4'-P energy: -110.393
tors. eta vs tors. theta energy: -207.367
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: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2239.379691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.379691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.379691 (E_RNA)
where:
Base-Base interactions energy: -1532.349
where: short stacking energy: -681.252
Base-Backbone interact. energy: -0.156
local terms energy: -706.874914
where:
bonds (distance) C4'-P energy: -121.169
bonds (distance) P-C4' energy: -135.509
flat angles C4'-P-C4' energy: -141.110
flat angles P-C4'-P energy: -116.197
tors. eta vs tors. theta energy: -192.890
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: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2084.633233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.633233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.633233 (E_RNA)
where:
Base-Base interactions energy: -1420.331
where: short stacking energy: -608.664
Base-Backbone interact. energy: -1.032
local terms energy: -663.270340
where:
bonds (distance) C4'-P energy: -111.943
bonds (distance) P-C4' energy: -145.200
flat angles C4'-P-C4' energy: -147.926
flat angles P-C4'-P energy: -72.260
tors. eta vs tors. theta energy: -185.941
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1759.631607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.631607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.631607 (E_RNA)
where:
Base-Base interactions energy: -1148.536
where: short stacking energy: -534.186
Base-Backbone interact. energy: -3.411
local terms energy: -607.684897
where:
bonds (distance) C4'-P energy: -140.740
bonds (distance) P-C4' energy: -111.021
flat angles C4'-P-C4' energy: -150.494
flat angles P-C4'-P energy: -86.748
tors. eta vs tors. theta energy: -118.682
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: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1539.814771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.814771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.814771 (E_RNA)
where:
Base-Base interactions energy: -989.926
where: short stacking energy: -426.008
Base-Backbone interact. energy: -0.062
local terms energy: -549.826750
where:
bonds (distance) C4'-P energy: -117.989
bonds (distance) P-C4' energy: -118.953
flat angles C4'-P-C4' energy: -136.131
flat angles P-C4'-P energy: -82.436
tors. eta vs tors. theta energy: -94.318
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: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1012.678348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.678348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.678348 (E_RNA)
where:
Base-Base interactions energy: -565.277
where: short stacking energy: -293.340
Base-Backbone interact. energy: 0.371
local terms energy: -447.771779
where:
bonds (distance) C4'-P energy: -123.300
bonds (distance) P-C4' energy: -133.327
flat angles C4'-P-C4' energy: -94.724
flat angles P-C4'-P energy: -43.905
tors. eta vs tors. theta energy: -52.515
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: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -825.733696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.733696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.733696 (E_RNA)
where:
Base-Base interactions energy: -446.982
where: short stacking energy: -234.020
Base-Backbone interact. energy: -4.492
local terms energy: -374.259601
where:
bonds (distance) C4'-P energy: -109.091
bonds (distance) P-C4' energy: -108.449
flat angles C4'-P-C4' energy: -93.749
flat angles P-C4'-P energy: -63.372
tors. eta vs tors. theta energy: 0.401
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: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2610.977787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.977787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.977787 (E_RNA)
where:
Base-Base interactions energy: -1790.731
where: short stacking energy: -801.739
Base-Backbone interact. energy: 0.353
local terms energy: -820.599891
where:
bonds (distance) C4'-P energy: -148.784
bonds (distance) P-C4' energy: -150.476
flat angles C4'-P-C4' energy: -163.862
flat angles P-C4'-P energy: -111.571
tors. eta vs tors. theta energy: -245.907
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: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2517.329564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.329564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.329564 (E_RNA)
where:
Base-Base interactions energy: -1753.643
where: short stacking energy: -755.066
Base-Backbone interact. energy: -2.535
local terms energy: -761.151875
where:
bonds (distance) C4'-P energy: -143.810
bonds (distance) P-C4' energy: -137.195
flat angles C4'-P-C4' energy: -156.360
flat angles P-C4'-P energy: -100.935
tors. eta vs tors. theta energy: -222.852
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: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2451.339870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.339870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.339870 (E_RNA)
where:
Base-Base interactions energy: -1682.482
where: short stacking energy: -737.794
Base-Backbone interact. energy: -1.232
local terms energy: -767.625518
where:
bonds (distance) C4'-P energy: -151.612
bonds (distance) P-C4' energy: -148.636
flat angles C4'-P-C4' energy: -152.906
flat angles P-C4'-P energy: -96.553
tors. eta vs tors. theta energy: -217.919
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: 309
Temperature: 1.050000
Total energy: -2325.036103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.036103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.036103 (E_RNA)
where:
Base-Base interactions energy: -1585.030
where: short stacking energy: -679.041
Base-Backbone interact. energy: -2.243
local terms energy: -737.762736
where:
bonds (distance) C4'-P energy: -142.246
bonds (distance) P-C4' energy: -133.156
flat angles C4'-P-C4' energy: -151.373
flat angles P-C4'-P energy: -111.853
tors. eta vs tors. theta energy: -199.135
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: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2250.544821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.544821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.544821 (E_RNA)
where:
Base-Base interactions energy: -1573.690
where: short stacking energy: -678.201
Base-Backbone interact. energy: -1.488
local terms energy: -675.366786
where:
bonds (distance) C4'-P energy: -108.863
bonds (distance) P-C4' energy: -129.426
flat angles C4'-P-C4' energy: -148.812
flat angles P-C4'-P energy: -92.390
tors. eta vs tors. theta energy: -195.876
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: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2174.515035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.515035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.515035 (E_RNA)
where:
Base-Base interactions energy: -1506.783
where: short stacking energy: -649.474
Base-Backbone interact. energy: 0.144
local terms energy: -667.875640
where:
bonds (distance) C4'-P energy: -103.977
bonds (distance) P-C4' energy: -121.554
flat angles C4'-P-C4' energy: -140.153
flat angles P-C4'-P energy: -99.585
tors. eta vs tors. theta energy: -202.607
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: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1700.388842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.388842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.388842 (E_RNA)
where:
Base-Base interactions energy: -1134.909
where: short stacking energy: -505.070
Base-Backbone interact. energy: -0.164
local terms energy: -565.316325
where:
bonds (distance) C4'-P energy: -125.022
bonds (distance) P-C4' energy: -110.469
flat angles C4'-P-C4' energy: -124.582
flat angles P-C4'-P energy: -92.682
tors. eta vs tors. theta energy: -112.561
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: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1484.035268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.035268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.035268 (E_RNA)
where:
Base-Base interactions energy: -927.955
where: short stacking energy: -423.302
Base-Backbone interact. energy: 1.637
local terms energy: -557.717044
where:
bonds (distance) C4'-P energy: -112.985
bonds (distance) P-C4' energy: -113.926
flat angles C4'-P-C4' energy: -134.783
flat angles P-C4'-P energy: -99.760
tors. eta vs tors. theta energy: -96.263
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: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1103.935332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.935332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.935332 (E_RNA)
where:
Base-Base interactions energy: -680.026
where: short stacking energy: -307.779
Base-Backbone interact. energy: 0.750
local terms energy: -424.658481
where:
bonds (distance) C4'-P energy: -117.470
bonds (distance) P-C4' energy: -127.593
flat angles C4'-P-C4' energy: -109.981
flat angles P-C4'-P energy: -33.713
tors. eta vs tors. theta energy: -35.901
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: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -845.049815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.049815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.049815 (E_RNA)
where:
Base-Base interactions energy: -456.110
where: short stacking energy: -245.526
Base-Backbone interact. energy: -2.119
local terms energy: -386.820960
where:
bonds (distance) C4'-P energy: -108.328
bonds (distance) P-C4' energy: -116.559
flat angles C4'-P-C4' energy: -104.771
flat angles P-C4'-P energy: -52.630
tors. eta vs tors. theta energy: -4.532
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: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2607.303609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.303609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.303609 (E_RNA)
where:
Base-Base interactions energy: -1796.485
where: short stacking energy: -785.136
Base-Backbone interact. energy: -3.962
local terms energy: -806.856605
where:
bonds (distance) C4'-P energy: -151.641
bonds (distance) P-C4' energy: -147.652
flat angles C4'-P-C4' energy: -164.135
flat angles P-C4'-P energy: -107.394
tors. eta vs tors. theta energy: -236.035
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: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2546.198133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.198133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.198133 (E_RNA)
where:
Base-Base interactions energy: -1767.640
where: short stacking energy: -759.566
Base-Backbone interact. energy: -4.339
local terms energy: -774.218691
where:
bonds (distance) C4'-P energy: -140.799
bonds (distance) P-C4' energy: -153.601
flat angles C4'-P-C4' energy: -159.931
flat angles P-C4'-P energy: -111.864
tors. eta vs tors. theta energy: -208.023
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: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2424.515174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.515174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.515174 (E_RNA)
where:
Base-Base interactions energy: -1663.309
where: short stacking energy: -720.188
Base-Backbone interact. energy: -6.658
local terms energy: -754.548115
where:
bonds (distance) C4'-P energy: -122.672
bonds (distance) P-C4' energy: -139.407
flat angles C4'-P-C4' energy: -164.137
flat angles P-C4'-P energy: -110.037
tors. eta vs tors. theta energy: -218.295
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: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2351.934810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.934810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.934810 (E_RNA)
where:
Base-Base interactions energy: -1624.737
where: short stacking energy: -707.059
Base-Backbone interact. energy: -2.325
local terms energy: -724.873065
where:
bonds (distance) C4'-P energy: -138.423
bonds (distance) P-C4' energy: -127.845
flat angles C4'-P-C4' energy: -148.176
flat angles P-C4'-P energy: -98.102
tors. eta vs tors. theta energy: -212.327
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: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2283.100959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.100959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.100959 (E_RNA)
where:
Base-Base interactions energy: -1555.457
where: short stacking energy: -676.378
Base-Backbone interact. energy: -1.196
local terms energy: -726.448040
where:
bonds (distance) C4'-P energy: -137.197
bonds (distance) P-C4' energy: -142.312
flat angles C4'-P-C4' energy: -145.952
flat angles P-C4'-P energy: -99.610
tors. eta vs tors. theta energy: -201.376
Dist. restrs. and SS energy: 0.000 (S_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: 310
Temperature: 1.150000
Total energy: -2172.739419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.739419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.739419 (E_RNA)
where:
Base-Base interactions energy: -1471.955
where: short stacking energy: -661.369
Base-Backbone interact. energy: -1.864
local terms energy: -698.920938
where:
bonds (distance) C4'-P energy: -127.299
bonds (distance) P-C4' energy: -134.838
flat angles C4'-P-C4' energy: -146.406
flat angles P-C4'-P energy: -96.847
tors. eta vs tors. theta energy: -193.531
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: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1767.304701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.304701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.304701 (E_RNA)
where:
Base-Base interactions energy: -1171.611
where: short stacking energy: -507.870
Base-Backbone interact. energy: 0.930
local terms energy: -596.623211
where:
bonds (distance) C4'-P energy: -139.248
bonds (distance) P-C4' energy: -136.016
flat angles C4'-P-C4' energy: -115.017
flat angles P-C4'-P energy: -88.357
tors. eta vs tors. theta energy: -117.985
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: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1530.671839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.671839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.671839 (E_RNA)
where:
Base-Base interactions energy: -986.342
where: short stacking energy: -456.951
Base-Backbone interact. energy: -2.321
local terms energy: -542.009279
where:
bonds (distance) C4'-P energy: -114.403
bonds (distance) P-C4' energy: -108.133
flat angles C4'-P-C4' energy: -134.666
flat angles P-C4'-P energy: -85.577
tors. eta vs tors. theta energy: -99.230
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: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1090.980052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.980052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.980052 (E_RNA)
where:
Base-Base interactions energy: -631.184
where: short stacking energy: -290.375
Base-Backbone interact. energy: 1.566
local terms energy: -461.362496
where:
bonds (distance) C4'-P energy: -106.270
bonds (distance) P-C4' energy: -129.479
flat angles C4'-P-C4' energy: -119.662
flat angles P-C4'-P energy: -76.546
tors. eta vs tors. theta energy: -29.406
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: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -813.056866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.056866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.056866 (E_RNA)
where:
Base-Base interactions energy: -396.511
where: short stacking energy: -225.454
Base-Backbone interact. energy: -3.442
local terms energy: -413.103940
where:
bonds (distance) C4'-P energy: -118.966
bonds (distance) P-C4' energy: -122.055
flat angles C4'-P-C4' energy: -105.517
flat angles P-C4'-P energy: -67.851
tors. eta vs tors. theta energy: 1.284
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: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2633.277572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.277572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.277572 (E_RNA)
where:
Base-Base interactions energy: -1827.277
where: short stacking energy: -776.243
Base-Backbone interact. energy: -3.346
local terms energy: -802.655168
where:
bonds (distance) C4'-P energy: -144.563
bonds (distance) P-C4' energy: -143.311
flat angles C4'-P-C4' energy: -173.934
flat angles P-C4'-P energy: -117.084
tors. eta vs tors. theta energy: -223.764
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: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2528.089216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.089216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.089216 (E_RNA)
where:
Base-Base interactions energy: -1755.930
where: short stacking energy: -756.490
Base-Backbone interact. energy: -4.962
local terms energy: -767.197242
where:
bonds (distance) C4'-P energy: -137.726
bonds (distance) P-C4' energy: -153.520
flat angles C4'-P-C4' energy: -159.800
flat angles P-C4'-P energy: -105.474
tors. eta vs tors. theta energy: -210.677
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: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2423.723258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.723258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.723258 (E_RNA)
where:
Base-Base interactions energy: -1676.573
where: short stacking energy: -717.840
Base-Backbone interact. energy: -1.659
local terms energy: -745.490446
where:
bonds (distance) C4'-P energy: -134.724
bonds (distance) P-C4' energy: -137.501
flat angles C4'-P-C4' energy: -153.740
flat angles P-C4'-P energy: -106.651
tors. eta vs tors. theta energy: -212.873
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: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2351.563435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.563435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.563435 (E_RNA)
where:
Base-Base interactions energy: -1613.448
where: short stacking energy: -665.653
Base-Backbone interact. energy: -2.086
local terms energy: -736.029045
where:
bonds (distance) C4'-P energy: -150.810
bonds (distance) P-C4' energy: -137.316
flat angles C4'-P-C4' energy: -150.990
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -200.397
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: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2308.554516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.554516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.554516 (E_RNA)
where:
Base-Base interactions energy: -1577.359
where: short stacking energy: -688.756
Base-Backbone interact. energy: -2.855
local terms energy: -728.340522
where:
bonds (distance) C4'-P energy: -130.061
bonds (distance) P-C4' energy: -126.982
flat angles C4'-P-C4' energy: -155.132
flat angles P-C4'-P energy: -109.546
tors. eta vs tors. theta energy: -206.620
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: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2153.736410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.736410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.736410 (E_RNA)
where:
Base-Base interactions energy: -1497.778
where: short stacking energy: -648.990
Base-Backbone interact. energy: 1.304
local terms energy: -657.262632
where:
bonds (distance) C4'-P energy: -106.551
bonds (distance) P-C4' energy: -129.824
flat angles C4'-P-C4' energy: -143.836
flat angles P-C4'-P energy: -90.226
tors. eta vs tors. theta energy: -186.825
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: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1718.393343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.393343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.393343 (E_RNA)
where:
Base-Base interactions energy: -1142.895
where: short stacking energy: -493.205
Base-Backbone interact. energy: -0.621
local terms energy: -574.877222
where:
bonds (distance) C4'-P energy: -101.547
bonds (distance) P-C4' energy: -128.062
flat angles C4'-P-C4' energy: -126.234
flat angles P-C4'-P energy: -93.425
tors. eta vs tors. theta energy: -125.609
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: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1534.981467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.981467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.981467 (E_RNA)
where:
Base-Base interactions energy: -990.132
where: short stacking energy: -454.493
Base-Backbone interact. energy: -4.278
local terms energy: -540.571125
where:
bonds (distance) C4'-P energy: -104.621
bonds (distance) P-C4' energy: -120.788
flat angles C4'-P-C4' energy: -137.944
flat angles P-C4'-P energy: -75.782
tors. eta vs tors. theta energy: -101.435
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: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -997.402318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.402318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.402318 (E_RNA)
where:
Base-Base interactions energy: -592.383
where: short stacking energy: -307.515
Base-Backbone interact. energy: 0.608
local terms energy: -405.627386
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -105.370
flat angles C4'-P-C4' energy: -98.733
flat angles P-C4'-P energy: -74.746
tors. eta vs tors. theta energy: -25.985
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: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -770.775612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.775612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.775612 (E_RNA)
where:
Base-Base interactions energy: -390.460
where: short stacking energy: -236.267
Base-Backbone interact. energy: -3.717
local terms energy: -376.597863
where:
bonds (distance) C4'-P energy: -115.198
bonds (distance) P-C4' energy: -123.294
flat angles C4'-P-C4' energy: -97.167
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: 2.459
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: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2675.855793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.855793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.855793 (E_RNA)
where:
Base-Base interactions energy: -1844.134
where: short stacking energy: -793.290
Base-Backbone interact. energy: 0.037
local terms energy: -831.758185
where:
bonds (distance) C4'-P energy: -141.075
bonds (distance) P-C4' energy: -147.050
flat angles C4'-P-C4' energy: -184.174
flat angles P-C4'-P energy: -115.055
tors. eta vs tors. theta energy: -244.404
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: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2529.724184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.724184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.724184 (E_RNA)
where:
Base-Base interactions energy: -1755.911
where: short stacking energy: -744.464
Base-Backbone interact. energy: -1.401
local terms energy: -772.411904
where:
bonds (distance) C4'-P energy: -133.765
bonds (distance) P-C4' energy: -154.301
flat angles C4'-P-C4' energy: -167.161
flat angles P-C4'-P energy: -101.518
tors. eta vs tors. theta energy: -215.667
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: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2420.986841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.986841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.986841 (E_RNA)
where:
Base-Base interactions energy: -1647.025
where: short stacking energy: -722.322
Base-Backbone interact. energy: -4.734
local terms energy: -769.228070
where:
bonds (distance) C4'-P energy: -145.540
bonds (distance) P-C4' energy: -148.664
flat angles C4'-P-C4' energy: -157.392
flat angles P-C4'-P energy: -110.119
tors. eta vs tors. theta energy: -207.514
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: 312
Temperature: 1.050000
Total energy: -2364.047607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.047607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.047607 (E_RNA)
where:
Base-Base interactions energy: -1617.156
where: short stacking energy: -722.169
Base-Backbone interact. energy: -3.768
local terms energy: -743.124302
where:
bonds (distance) C4'-P energy: -156.270
bonds (distance) P-C4' energy: -135.471
flat angles C4'-P-C4' energy: -142.046
flat angles P-C4'-P energy: -98.583
tors. eta vs tors. theta energy: -210.754
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: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2321.515663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.515663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.515663 (E_RNA)
where:
Base-Base interactions energy: -1579.801
where: short stacking energy: -707.923
Base-Backbone interact. energy: -1.463
local terms energy: -740.250989
where:
bonds (distance) C4'-P energy: -131.477
bonds (distance) P-C4' energy: -130.835
flat angles C4'-P-C4' energy: -161.217
flat angles P-C4'-P energy: -108.747
tors. eta vs tors. theta energy: -207.975
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: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2106.339211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.339211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.339211 (E_RNA)
where:
Base-Base interactions energy: -1420.980
where: short stacking energy: -630.061
Base-Backbone interact. energy: 2.027
local terms energy: -687.386162
where:
bonds (distance) C4'-P energy: -123.861
bonds (distance) P-C4' energy: -130.746
flat angles C4'-P-C4' energy: -148.455
flat angles P-C4'-P energy: -109.123
tors. eta vs tors. theta energy: -175.201
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: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1736.528866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.528866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.528866 (E_RNA)
where:
Base-Base interactions energy: -1157.157
where: short stacking energy: -548.715
Base-Backbone interact. energy: -1.235
local terms energy: -578.136615
where:
bonds (distance) C4'-P energy: -119.388
bonds (distance) P-C4' energy: -119.117
flat angles C4'-P-C4' energy: -133.091
flat angles P-C4'-P energy: -73.897
tors. eta vs tors. theta energy: -132.644
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: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1390.592750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.592750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.592750 (E_RNA)
where:
Base-Base interactions energy: -882.012
where: short stacking energy: -406.952
Base-Backbone interact. energy: -1.155
local terms energy: -507.426465
where:
bonds (distance) C4'-P energy: -118.903
bonds (distance) P-C4' energy: -121.053
flat angles C4'-P-C4' energy: -124.209
flat angles P-C4'-P energy: -64.630
tors. eta vs tors. theta energy: -78.631
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: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1025.074108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.074108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.074108 (E_RNA)
where:
Base-Base interactions energy: -608.647
where: short stacking energy: -316.655
Base-Backbone interact. energy: 1.561
local terms energy: -417.987873
where:
bonds (distance) C4'-P energy: -117.285
bonds (distance) P-C4' energy: -111.434
flat angles C4'-P-C4' energy: -107.664
flat angles P-C4'-P energy: -55.018
tors. eta vs tors. theta energy: -26.588
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: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -811.699755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.699755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.699755 (E_RNA)
where:
Base-Base interactions energy: -405.997
where: short stacking energy: -218.031
Base-Backbone interact. energy: 8.011
local terms energy: -413.714281
where:
bonds (distance) C4'-P energy: -122.529
bonds (distance) P-C4' energy: -120.397
flat angles C4'-P-C4' energy: -108.400
flat angles P-C4'-P energy: -60.153
tors. eta vs tors. theta energy: -2.234
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: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2626.817969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.817969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.817969 (E_RNA)
where:
Base-Base interactions energy: -1781.812
where: short stacking energy: -792.324
Base-Backbone interact. energy: -0.432
local terms energy: -844.574061
where:
bonds (distance) C4'-P energy: -142.176
bonds (distance) P-C4' energy: -153.111
flat angles C4'-P-C4' energy: -186.034
flat angles P-C4'-P energy: -124.998
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: 313
Temperature: 0.950000
Total energy: -2525.577701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.577701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.577701 (E_RNA)
where:
Base-Base interactions energy: -1737.258
where: short stacking energy: -746.723
Base-Backbone interact. energy: -2.361
local terms energy: -785.958151
where:
bonds (distance) C4'-P energy: -158.865
bonds (distance) P-C4' energy: -131.750
flat angles C4'-P-C4' energy: -160.388
flat angles P-C4'-P energy: -115.713
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: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2405.593438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.593438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.593438 (E_RNA)
where:
Base-Base interactions energy: -1671.317
where: short stacking energy: -708.845
Base-Backbone interact. energy: -0.126
local terms energy: -734.149834
where:
bonds (distance) C4'-P energy: -139.991
bonds (distance) P-C4' energy: -135.782
flat angles C4'-P-C4' energy: -160.651
flat angles P-C4'-P energy: -94.443
tors. eta vs tors. theta energy: -203.282
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: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2353.783932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.783932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.783932 (E_RNA)
where:
Base-Base interactions energy: -1650.646
where: short stacking energy: -714.025
Base-Backbone interact. energy: -2.440
local terms energy: -700.697562
where:
bonds (distance) C4'-P energy: -126.386
bonds (distance) P-C4' energy: -129.065
flat angles C4'-P-C4' energy: -148.352
flat angles P-C4'-P energy: -94.426
tors. eta vs tors. theta energy: -202.468
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: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2265.959191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.959191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.959191 (E_RNA)
where:
Base-Base interactions energy: -1569.884
where: short stacking energy: -678.614
Base-Backbone interact. energy: 6.293
local terms energy: -702.368515
where:
bonds (distance) C4'-P energy: -127.753
bonds (distance) P-C4' energy: -102.274
flat angles C4'-P-C4' energy: -162.335
flat angles P-C4'-P energy: -107.145
tors. eta vs tors. theta energy: -202.861
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: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2111.601016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.601016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.601016 (E_RNA)
where:
Base-Base interactions energy: -1424.212
where: short stacking energy: -615.330
Base-Backbone interact. energy: -1.825
local terms energy: -685.564248
where:
bonds (distance) C4'-P energy: -121.689
bonds (distance) P-C4' energy: -135.449
flat angles C4'-P-C4' energy: -143.690
flat angles P-C4'-P energy: -105.912
tors. eta vs tors. theta energy: -178.824
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: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1724.427250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.427250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.427250 (E_RNA)
where:
Base-Base interactions energy: -1143.525
where: short stacking energy: -519.834
Base-Backbone interact. energy: -3.026
local terms energy: -577.876722
where:
bonds (distance) C4'-P energy: -123.614
bonds (distance) P-C4' energy: -133.715
flat angles C4'-P-C4' energy: -113.355
flat angles P-C4'-P energy: -79.024
tors. eta vs tors. theta energy: -128.168
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: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1393.354571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.354571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.354571 (E_RNA)
where:
Base-Base interactions energy: -888.812
where: short stacking energy: -408.918
Base-Backbone interact. energy: 3.480
local terms energy: -508.022564
where:
bonds (distance) C4'-P energy: -114.374
bonds (distance) P-C4' energy: -112.346
flat angles C4'-P-C4' energy: -122.181
flat angles P-C4'-P energy: -70.787
tors. eta vs tors. theta energy: -88.335
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: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1001.871017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.871017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.871017 (E_RNA)
where:
Base-Base interactions energy: -570.270
where: short stacking energy: -274.230
Base-Backbone interact. energy: 1.102
local terms energy: -432.703030
where:
bonds (distance) C4'-P energy: -123.053
bonds (distance) P-C4' energy: -126.657
flat angles C4'-P-C4' energy: -120.082
flat angles P-C4'-P energy: -57.708
tors. eta vs tors. theta energy: -5.203
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: 313
Temperature: 1.350000
Total energy: -762.732541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.732541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.732541 (E_RNA)
where:
Base-Base interactions energy: -368.525
where: short stacking energy: -192.886
Base-Backbone interact. energy: -1.652
local terms energy: -392.555724
where:
bonds (distance) C4'-P energy: -126.074
bonds (distance) P-C4' energy: -114.835
flat angles C4'-P-C4' energy: -94.243
flat angles P-C4'-P energy: -70.838
tors. eta vs tors. theta energy: 13.434
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: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2633.128171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.128171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.128171 (E_RNA)
where:
Base-Base interactions energy: -1800.360
where: short stacking energy: -786.576
Base-Backbone interact. energy: -2.779
local terms energy: -829.989552
where:
bonds (distance) C4'-P energy: -149.870
bonds (distance) P-C4' energy: -158.984
flat angles C4'-P-C4' energy: -169.095
flat angles P-C4'-P energy: -111.967
tors. eta vs tors. theta energy: -240.073
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: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2518.013910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.013910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.013910 (E_RNA)
where:
Base-Base interactions energy: -1725.932
where: short stacking energy: -728.237
Base-Backbone interact. energy: -1.419
local terms energy: -790.663492
where:
bonds (distance) C4'-P energy: -136.287
bonds (distance) P-C4' energy: -146.627
flat angles C4'-P-C4' energy: -172.158
flat angles P-C4'-P energy: -101.360
tors. eta vs tors. theta energy: -234.231
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: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2420.865145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.865145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.865145 (E_RNA)
where:
Base-Base interactions energy: -1662.477
where: short stacking energy: -702.168
Base-Backbone interact. energy: -1.797
local terms energy: -756.590898
where:
bonds (distance) C4'-P energy: -133.723
bonds (distance) P-C4' energy: -140.428
flat angles C4'-P-C4' energy: -162.701
flat angles P-C4'-P energy: -115.817
tors. eta vs tors. theta energy: -203.922
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: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2349.590232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.590232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.590232 (E_RNA)
where:
Base-Base interactions energy: -1635.447
where: short stacking energy: -715.843
Base-Backbone interact. energy: -5.064
local terms energy: -709.078931
where:
bonds (distance) C4'-P energy: -123.167
bonds (distance) P-C4' energy: -130.567
flat angles C4'-P-C4' energy: -148.930
flat angles P-C4'-P energy: -101.193
tors. eta vs tors. theta energy: -205.223
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: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2256.358865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.358865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.358865 (E_RNA)
where:
Base-Base interactions energy: -1570.118
where: short stacking energy: -676.494
Base-Backbone interact. energy: -1.895
local terms energy: -684.345697
where:
bonds (distance) C4'-P energy: -120.246
bonds (distance) P-C4' energy: -133.377
flat angles C4'-P-C4' energy: -146.827
flat angles P-C4'-P energy: -92.364
tors. eta vs tors. theta energy: -191.532
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: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2059.420760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.420760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.420760 (E_RNA)
where:
Base-Base interactions energy: -1397.930
where: short stacking energy: -611.935
Base-Backbone interact. energy: -2.048
local terms energy: -659.442946
where:
bonds (distance) C4'-P energy: -119.134
bonds (distance) P-C4' energy: -128.295
flat angles C4'-P-C4' energy: -144.733
flat angles P-C4'-P energy: -94.751
tors. eta vs tors. theta energy: -172.530
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: 314
Temperature: 1.200000
Total energy: -1753.802994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.802994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.802994 (E_RNA)
where:
Base-Base interactions energy: -1149.486
where: short stacking energy: -510.391
Base-Backbone interact. energy: -3.116
local terms energy: -601.201026
where:
bonds (distance) C4'-P energy: -125.839
bonds (distance) P-C4' energy: -134.507
flat angles C4'-P-C4' energy: -122.394
flat angles P-C4'-P energy: -108.137
tors. eta vs tors. theta energy: -110.324
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: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1333.089021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.089021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.089021 (E_RNA)
where:
Base-Base interactions energy: -812.187
where: short stacking energy: -371.695
Base-Backbone interact. energy: -2.275
local terms energy: -518.627434
where:
bonds (distance) C4'-P energy: -121.463
bonds (distance) P-C4' energy: -117.042
flat angles C4'-P-C4' energy: -118.780
flat angles P-C4'-P energy: -91.108
tors. eta vs tors. theta energy: -70.235
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: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1011.356366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.356366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.356366 (E_RNA)
where:
Base-Base interactions energy: -589.777
where: short stacking energy: -300.956
Base-Backbone interact. energy: 6.784
local terms energy: -428.363913
where:
bonds (distance) C4'-P energy: -117.472
bonds (distance) P-C4' energy: -111.856
flat angles C4'-P-C4' energy: -117.643
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -33.096
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: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -753.168313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.168313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.168313 (E_RNA)
where:
Base-Base interactions energy: -349.801
where: short stacking energy: -219.186
Base-Backbone interact. energy: 2.087
local terms energy: -405.453886
where:
bonds (distance) C4'-P energy: -111.070
bonds (distance) P-C4' energy: -131.335
flat angles C4'-P-C4' energy: -99.096
flat angles P-C4'-P energy: -79.083
tors. eta vs tors. theta energy: 15.131
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: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2642.868145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.868145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.868145 (E_RNA)
where:
Base-Base interactions energy: -1824.969
where: short stacking energy: -813.851
Base-Backbone interact. energy: -2.493
local terms energy: -815.406602
where:
bonds (distance) C4'-P energy: -147.373
bonds (distance) P-C4' energy: -158.681
flat angles C4'-P-C4' energy: -171.999
flat angles P-C4'-P energy: -102.237
tors. eta vs tors. theta energy: -235.116
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: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2541.465127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.465127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.465127 (E_RNA)
where:
Base-Base interactions energy: -1767.660
where: short stacking energy: -758.783
Base-Backbone interact. energy: -4.464
local terms energy: -769.340888
where:
bonds (distance) C4'-P energy: -130.275
bonds (distance) P-C4' energy: -146.037
flat angles C4'-P-C4' energy: -168.464
flat angles P-C4'-P energy: -113.970
tors. eta vs tors. theta energy: -210.595
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: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2450.217607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.217607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.217607 (E_RNA)
where:
Base-Base interactions energy: -1658.123
where: short stacking energy: -713.442
Base-Backbone interact. energy: -3.028
local terms energy: -789.066200
where:
bonds (distance) C4'-P energy: -134.685
bonds (distance) P-C4' energy: -147.172
flat angles C4'-P-C4' energy: -178.033
flat angles P-C4'-P energy: -116.768
tors. eta vs tors. theta energy: -212.408
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: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2348.842914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.842914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.842914 (E_RNA)
where:
Base-Base interactions energy: -1633.082
where: short stacking energy: -709.534
Base-Backbone interact. energy: -2.682
local terms energy: -713.078337
where:
bonds (distance) C4'-P energy: -116.329
bonds (distance) P-C4' energy: -141.741
flat angles C4'-P-C4' energy: -149.915
flat angles P-C4'-P energy: -103.442
tors. eta vs tors. theta energy: -201.652
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: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2258.618800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.618800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.618800 (E_RNA)
where:
Base-Base interactions energy: -1564.775
where: short stacking energy: -685.082
Base-Backbone interact. energy: -2.339
local terms energy: -691.504867
where:
bonds (distance) C4'-P energy: -118.574
bonds (distance) P-C4' energy: -118.441
flat angles C4'-P-C4' energy: -147.537
flat angles P-C4'-P energy: -112.000
tors. eta vs tors. theta energy: -194.954
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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1991.889939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.889939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.889939 (E_RNA)
where:
Base-Base interactions energy: -1348.664
where: short stacking energy: -579.693
Base-Backbone interact. energy: -5.119
local terms energy: -638.107291
where:
bonds (distance) C4'-P energy: -116.250
bonds (distance) P-C4' energy: -119.217
flat angles C4'-P-C4' energy: -139.092
flat angles P-C4'-P energy: -100.196
tors. eta vs tors. theta energy: -163.353
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: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1720.436465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.436465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.436465 (E_RNA)
where:
Base-Base interactions energy: -1121.473
where: short stacking energy: -513.636
Base-Backbone interact. energy: -3.421
local terms energy: -595.543041
where:
bonds (distance) C4'-P energy: -118.127
bonds (distance) P-C4' energy: -142.590
flat angles C4'-P-C4' energy: -129.442
flat angles P-C4'-P energy: -80.159
tors. eta vs tors. theta energy: -125.224
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: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1333.597270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.597270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.597270 (E_RNA)
where:
Base-Base interactions energy: -844.286
where: short stacking energy: -383.843
Base-Backbone interact. energy: 0.674
local terms energy: -489.985053
where:
bonds (distance) C4'-P energy: -99.438
bonds (distance) P-C4' energy: -107.361
flat angles C4'-P-C4' energy: -137.452
flat angles P-C4'-P energy: -82.912
tors. eta vs tors. theta energy: -62.821
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: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1031.252041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.252041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.252041 (E_RNA)
where:
Base-Base interactions energy: -596.939
where: short stacking energy: -304.209
Base-Backbone interact. energy: 0.180
local terms energy: -434.493157
where:
bonds (distance) C4'-P energy: -100.134
bonds (distance) P-C4' energy: -128.389
flat angles C4'-P-C4' energy: -102.149
flat angles P-C4'-P energy: -67.485
tors. eta vs tors. theta energy: -36.335
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: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -688.813510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.813510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.813510 (E_RNA)
where:
Base-Base interactions energy: -336.423
where: short stacking energy: -234.453
Base-Backbone interact. energy: 5.656
local terms energy: -358.046791
where:
bonds (distance) C4'-P energy: -105.705
bonds (distance) P-C4' energy: -112.914
flat angles C4'-P-C4' energy: -96.938
flat angles P-C4'-P energy: -41.969
tors. eta vs tors. theta energy: -0.520
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: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2648.405380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.405380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.405380 (E_RNA)
where:
Base-Base interactions energy: -1832.009
where: short stacking energy: -811.794
Base-Backbone interact. energy: -3.218
local terms energy: -813.178352
where:
bonds (distance) C4'-P energy: -147.755
bonds (distance) P-C4' energy: -144.667
flat angles C4'-P-C4' energy: -168.928
flat angles P-C4'-P energy: -112.295
tors. eta vs tors. theta energy: -239.534
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: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2535.398293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.398293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.398293 (E_RNA)
where:
Base-Base interactions energy: -1738.612
where: short stacking energy: -747.808
Base-Backbone interact. energy: -2.716
local terms energy: -794.070773
where:
bonds (distance) C4'-P energy: -154.024
bonds (distance) P-C4' energy: -146.503
flat angles C4'-P-C4' energy: -159.313
flat angles P-C4'-P energy: -116.137
tors. eta vs tors. theta energy: -218.094
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: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2433.496523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.496523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.496523 (E_RNA)
where:
Base-Base interactions energy: -1709.392
where: short stacking energy: -726.779
Base-Backbone interact. energy: -3.993
local terms energy: -720.111803
where:
bonds (distance) C4'-P energy: -126.765
bonds (distance) P-C4' energy: -135.577
flat angles C4'-P-C4' energy: -146.992
flat angles P-C4'-P energy: -93.048
tors. eta vs tors. theta energy: -217.730
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: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2371.879759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.879759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.879759 (E_RNA)
where:
Base-Base interactions energy: -1631.134
where: short stacking energy: -698.196
Base-Backbone interact. energy: -1.408
local terms energy: -739.338149
where:
bonds (distance) C4'-P energy: -132.012
bonds (distance) P-C4' energy: -132.064
flat angles C4'-P-C4' energy: -148.814
flat angles P-C4'-P energy: -105.378
tors. eta vs tors. theta energy: -221.070
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: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2234.667298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.667298 (E_RNA)
where:
Base-Base interactions energy: -1565.642
where: short stacking energy: -661.599
Base-Backbone interact. energy: -2.105
local terms energy: -666.920425
where:
bonds (distance) C4'-P energy: -115.812
bonds (distance) P-C4' energy: -136.282
flat angles C4'-P-C4' energy: -142.607
flat angles P-C4'-P energy: -88.877
tors. eta vs tors. theta energy: -183.342
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1961.190584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.190584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.190584 (E_RNA)
where:
Base-Base interactions energy: -1329.893
where: short stacking energy: -579.401
Base-Backbone interact. energy: 1.715
local terms energy: -633.012949
where:
bonds (distance) C4'-P energy: -108.344
bonds (distance) P-C4' energy: -129.257
flat angles C4'-P-C4' energy: -144.809
flat angles P-C4'-P energy: -95.161
tors. eta vs tors. theta energy: -155.442
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: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1754.128998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.128998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.128998 (E_RNA)
where:
Base-Base interactions energy: -1142.073
where: short stacking energy: -495.891
Base-Backbone interact. energy: 0.029
local terms energy: -612.084895
where:
bonds (distance) C4'-P energy: -117.027
bonds (distance) P-C4' energy: -138.600
flat angles C4'-P-C4' energy: -125.386
flat angles P-C4'-P energy: -98.577
tors. eta vs tors. theta energy: -132.495
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: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1315.061343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.061343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.061343 (E_RNA)
where:
Base-Base interactions energy: -819.767
where: short stacking energy: -381.862
Base-Backbone interact. energy: -1.081
local terms energy: -494.213504
where:
bonds (distance) C4'-P energy: -109.483
bonds (distance) P-C4' energy: -133.074
flat angles C4'-P-C4' energy: -120.763
flat angles P-C4'-P energy: -56.674
tors. eta vs tors. theta energy: -74.219
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: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1102.147106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.147106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.147106 (E_RNA)
where:
Base-Base interactions energy: -663.986
where: short stacking energy: -327.958
Base-Backbone interact. energy: -1.381
local terms energy: -436.779601
where:
bonds (distance) C4'-P energy: -101.968
bonds (distance) P-C4' energy: -106.980
flat angles C4'-P-C4' energy: -109.190
flat angles P-C4'-P energy: -70.664
tors. eta vs tors. theta energy: -47.978
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: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -734.989360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.989360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.989360 (E_RNA)
where:
Base-Base interactions energy: -322.374
where: short stacking energy: -194.505
Base-Backbone interact. energy: 4.613
local terms energy: -417.227663
where:
bonds (distance) C4'-P energy: -113.221
bonds (distance) P-C4' energy: -123.209
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -67.830
tors. eta vs tors. theta energy: -13.189
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: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2657.933287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.933287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.933287 (E_RNA)
where:
Base-Base interactions energy: -1829.730
where: short stacking energy: -822.143
Base-Backbone interact. energy: -2.602
local terms energy: -825.600668
where:
bonds (distance) C4'-P energy: -145.776
bonds (distance) P-C4' energy: -139.411
flat angles C4'-P-C4' energy: -173.191
flat angles P-C4'-P energy: -127.269
tors. eta vs tors. theta energy: -239.954
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: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2523.976980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.976980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.976980 (E_RNA)
where:
Base-Base interactions energy: -1754.020
where: short stacking energy: -736.956
Base-Backbone interact. energy: 0.916
local terms energy: -770.872240
where:
bonds (distance) C4'-P energy: -132.214
bonds (distance) P-C4' energy: -143.001
flat angles C4'-P-C4' energy: -168.991
flat angles P-C4'-P energy: -110.798
tors. eta vs tors. theta energy: -215.868
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: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2421.597317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.597317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.597317 (E_RNA)
where:
Base-Base interactions energy: -1669.482
where: short stacking energy: -712.081
Base-Backbone interact. energy: -2.949
local terms energy: -749.166265
where:
bonds (distance) C4'-P energy: -139.097
bonds (distance) P-C4' energy: -143.404
flat angles C4'-P-C4' energy: -155.606
flat angles P-C4'-P energy: -106.297
tors. eta vs tors. theta energy: -204.763
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: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2362.913503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.913503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.913503 (E_RNA)
where:
Base-Base interactions energy: -1628.982
where: short stacking energy: -692.156
Base-Backbone interact. energy: -1.930
local terms energy: -732.001307
where:
bonds (distance) C4'-P energy: -127.660
bonds (distance) P-C4' energy: -128.757
flat angles C4'-P-C4' energy: -152.940
flat angles P-C4'-P energy: -103.940
tors. eta vs tors. theta energy: -218.705
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: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2261.939717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.939717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.939717 (E_RNA)
where:
Base-Base interactions energy: -1537.968
where: short stacking energy: -680.111
Base-Backbone interact. energy: -0.279
local terms energy: -723.692679
where:
bonds (distance) C4'-P energy: -136.225
bonds (distance) P-C4' energy: -141.151
flat angles C4'-P-C4' energy: -139.559
flat angles P-C4'-P energy: -119.986
tors. eta vs tors. theta energy: -186.772
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: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1971.121729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.121729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.121729 (E_RNA)
where:
Base-Base interactions energy: -1327.377
where: short stacking energy: -597.354
Base-Backbone interact. energy: -3.691
local terms energy: -640.052881
where:
bonds (distance) C4'-P energy: -102.908
bonds (distance) P-C4' energy: -121.889
flat angles C4'-P-C4' energy: -155.932
flat angles P-C4'-P energy: -94.213
tors. eta vs tors. theta energy: -165.112
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: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1746.336177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.336177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.336177 (E_RNA)
where:
Base-Base interactions energy: -1154.196
where: short stacking energy: -538.239
Base-Backbone interact. energy: -1.649
local terms energy: -590.490526
where:
bonds (distance) C4'-P energy: -114.271
bonds (distance) P-C4' energy: -122.569
flat angles C4'-P-C4' energy: -135.219
flat angles P-C4'-P energy: -94.036
tors. eta vs tors. theta energy: -124.396
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: 317
Temperature: 1.250000
Total energy: -1329.201118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.201118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.201118 (E_RNA)
where:
Base-Base interactions energy: -822.633
where: short stacking energy: -379.305
Base-Backbone interact. energy: -1.717
local terms energy: -504.850867
where:
bonds (distance) C4'-P energy: -104.597
bonds (distance) P-C4' energy: -134.323
flat angles C4'-P-C4' energy: -117.784
flat angles P-C4'-P energy: -69.998
tors. eta vs tors. theta energy: -78.149
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: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1082.070384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.070384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.070384 (E_RNA)
where:
Base-Base interactions energy: -623.736
where: short stacking energy: -306.288
Base-Backbone interact. energy: 3.617
local terms energy: -461.951346
where:
bonds (distance) C4'-P energy: -107.050
bonds (distance) P-C4' energy: -122.013
flat angles C4'-P-C4' energy: -114.396
flat angles P-C4'-P energy: -78.318
tors. eta vs tors. theta energy: -40.174
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: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -708.843494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.843494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.843494 (E_RNA)
where:
Base-Base interactions energy: -322.526
where: short stacking energy: -208.811
Base-Backbone interact. energy: 0.784
local terms energy: -387.102164
where:
bonds (distance) C4'-P energy: -104.650
bonds (distance) P-C4' energy: -120.793
flat angles C4'-P-C4' energy: -96.391
flat angles P-C4'-P energy: -53.232
tors. eta vs tors. theta energy: -12.037
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: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2639.472559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.472559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.472559 (E_RNA)
where:
Base-Base interactions energy: -1838.957
where: short stacking energy: -803.457
Base-Backbone interact. energy: -1.824
local terms energy: -798.691896
where:
bonds (distance) C4'-P energy: -141.043
bonds (distance) P-C4' energy: -154.361
flat angles C4'-P-C4' energy: -158.734
flat angles P-C4'-P energy: -109.549
tors. eta vs tors. theta energy: -235.005
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: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2523.257590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.257590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.257590 (E_RNA)
where:
Base-Base interactions energy: -1731.327
where: short stacking energy: -731.814
Base-Backbone interact. energy: -4.044
local terms energy: -787.886792
where:
bonds (distance) C4'-P energy: -142.631
bonds (distance) P-C4' energy: -140.150
flat angles C4'-P-C4' energy: -169.564
flat angles P-C4'-P energy: -116.758
tors. eta vs tors. theta energy: -218.784
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: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2404.547372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.547372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.547372 (E_RNA)
where:
Base-Base interactions energy: -1658.559
where: short stacking energy: -726.209
Base-Backbone interact. energy: -0.677
local terms energy: -745.311383
where:
bonds (distance) C4'-P energy: -124.004
bonds (distance) P-C4' energy: -139.006
flat angles C4'-P-C4' energy: -160.032
flat angles P-C4'-P energy: -110.085
tors. eta vs tors. theta energy: -212.185
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: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2349.656423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.656423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.656423 (E_RNA)
where:
Base-Base interactions energy: -1613.571
where: short stacking energy: -674.762
Base-Backbone interact. energy: 0.033
local terms energy: -736.118512
where:
bonds (distance) C4'-P energy: -123.901
bonds (distance) P-C4' energy: -138.123
flat angles C4'-P-C4' energy: -160.458
flat angles P-C4'-P energy: -104.221
tors. eta vs tors. theta energy: -209.416
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: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2291.588974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.588974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.588974 (E_RNA)
where:
Base-Base interactions energy: -1592.564
where: short stacking energy: -688.773
Base-Backbone interact. energy: -4.401
local terms energy: -694.623956
where:
bonds (distance) C4'-P energy: -122.246
bonds (distance) P-C4' energy: -116.294
flat angles C4'-P-C4' energy: -147.138
flat angles P-C4'-P energy: -106.850
tors. eta vs tors. theta energy: -202.095
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: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1944.893117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.893117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.893117 (E_RNA)
where:
Base-Base interactions energy: -1312.061
where: short stacking energy: -581.441
Base-Backbone interact. energy: -2.304
local terms energy: -630.527823
where:
bonds (distance) C4'-P energy: -126.701
bonds (distance) P-C4' energy: -130.662
flat angles C4'-P-C4' energy: -128.629
flat angles P-C4'-P energy: -97.265
tors. eta vs tors. theta energy: -147.271
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: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1707.424501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.424501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.424501 (E_RNA)
where:
Base-Base interactions energy: -1131.306
where: short stacking energy: -510.258
Base-Backbone interact. energy: -0.280
local terms energy: -575.838676
where:
bonds (distance) C4'-P energy: -76.235
bonds (distance) P-C4' energy: -127.987
flat angles C4'-P-C4' energy: -141.902
flat angles P-C4'-P energy: -94.875
tors. eta vs tors. theta energy: -134.839
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: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1327.816668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.816668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.816668 (E_RNA)
where:
Base-Base interactions energy: -814.159
where: short stacking energy: -396.434
Base-Backbone interact. energy: -6.244
local terms energy: -507.414060
where:
bonds (distance) C4'-P energy: -124.882
bonds (distance) P-C4' energy: -122.827
flat angles C4'-P-C4' energy: -111.022
flat angles P-C4'-P energy: -72.793
tors. eta vs tors. theta energy: -75.889
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: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1083.080925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.080925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.080925 (E_RNA)
where:
Base-Base interactions energy: -615.312
where: short stacking energy: -311.499
Base-Backbone interact. energy: 2.486
local terms energy: -470.254625
where:
bonds (distance) C4'-P energy: -121.019
bonds (distance) P-C4' energy: -120.246
flat angles C4'-P-C4' energy: -124.087
flat angles P-C4'-P energy: -63.911
tors. eta vs tors. theta energy: -40.992
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: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -702.818027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.818027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.818027 (E_RNA)
where:
Base-Base interactions energy: -339.240
where: short stacking energy: -222.384
Base-Backbone interact. energy: -0.159
local terms energy: -363.418459
where:
bonds (distance) C4'-P energy: -112.791
bonds (distance) P-C4' energy: -123.501
flat angles C4'-P-C4' energy: -78.091
flat angles P-C4'-P energy: -55.802
tors. eta vs tors. theta energy: 6.767
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: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2645.785971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.785971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.785971 (E_RNA)
where:
Base-Base interactions energy: -1825.919
where: short stacking energy: -795.478
Base-Backbone interact. energy: -2.722
local terms energy: -817.144872
where:
bonds (distance) C4'-P energy: -156.746
bonds (distance) P-C4' energy: -141.176
flat angles C4'-P-C4' energy: -167.884
flat angles P-C4'-P energy: -118.738
tors. eta vs tors. theta energy: -232.601
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2523.668091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.668091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.668091 (E_RNA)
where:
Base-Base interactions energy: -1762.349
where: short stacking energy: -735.429
Base-Backbone interact. energy: 1.277
local terms energy: -762.595529
where:
bonds (distance) C4'-P energy: -142.105
bonds (distance) P-C4' energy: -133.065
flat angles C4'-P-C4' energy: -166.616
flat angles P-C4'-P energy: -104.808
tors. eta vs tors. theta energy: -216.002
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: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2429.801505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.801505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.801505 (E_RNA)
where:
Base-Base interactions energy: -1685.559
where: short stacking energy: -723.769
Base-Backbone interact. energy: -4.455
local terms energy: -739.787984
where:
bonds (distance) C4'-P energy: -127.898
bonds (distance) P-C4' energy: -134.423
flat angles C4'-P-C4' energy: -146.687
flat angles P-C4'-P energy: -117.157
tors. eta vs tors. theta energy: -213.624
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: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2369.708603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.708603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.708603 (E_RNA)
where:
Base-Base interactions energy: -1634.614
where: short stacking energy: -696.579
Base-Backbone interact. energy: -5.010
local terms energy: -730.084772
where:
bonds (distance) C4'-P energy: -118.987
bonds (distance) P-C4' energy: -146.083
flat angles C4'-P-C4' energy: -158.490
flat angles P-C4'-P energy: -100.932
tors. eta vs tors. theta energy: -205.592
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: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2267.731568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.731568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.731568 (E_RNA)
where:
Base-Base interactions energy: -1566.747
where: short stacking energy: -686.957
Base-Backbone interact. energy: -2.779
local terms energy: -698.204948
where:
bonds (distance) C4'-P energy: -126.993
bonds (distance) P-C4' energy: -120.718
flat angles C4'-P-C4' energy: -157.941
flat angles P-C4'-P energy: -95.892
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: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1937.600304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.600304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.600304 (E_RNA)
where:
Base-Base interactions energy: -1270.908
where: short stacking energy: -557.881
Base-Backbone interact. energy: -3.644
local terms energy: -663.048133
where:
bonds (distance) C4'-P energy: -124.708
bonds (distance) P-C4' energy: -147.073
flat angles C4'-P-C4' energy: -140.218
flat angles P-C4'-P energy: -97.876
tors. eta vs tors. theta energy: -153.172
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: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1694.971725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.971725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.971725 (E_RNA)
where:
Base-Base interactions energy: -1130.678
where: short stacking energy: -494.294
Base-Backbone interact. energy: 5.066
local terms energy: -569.359996
where:
bonds (distance) C4'-P energy: -102.911
bonds (distance) P-C4' energy: -131.692
flat angles C4'-P-C4' energy: -131.858
flat angles P-C4'-P energy: -91.515
tors. eta vs tors. theta energy: -111.384
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: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1381.241106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.241106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.241106 (E_RNA)
where:
Base-Base interactions energy: -858.231
where: short stacking energy: -397.773
Base-Backbone interact. energy: -2.974
local terms energy: -520.036182
where:
bonds (distance) C4'-P energy: -126.103
bonds (distance) P-C4' energy: -110.496
flat angles C4'-P-C4' energy: -116.154
flat angles P-C4'-P energy: -83.946
tors. eta vs tors. theta energy: -83.338
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: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1057.343876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.343876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.343876 (E_RNA)
where:
Base-Base interactions energy: -595.632
where: short stacking energy: -312.049
Base-Backbone interact. energy: -0.230
local terms energy: -461.481648
where:
bonds (distance) C4'-P energy: -126.616
bonds (distance) P-C4' energy: -150.461
flat angles C4'-P-C4' energy: -98.841
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -35.401
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: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -680.930772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.930772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.930772 (E_RNA)
where:
Base-Base interactions energy: -284.596
where: short stacking energy: -198.331
Base-Backbone interact. energy: -4.140
local terms energy: -392.194622
where:
bonds (distance) C4'-P energy: -119.515
bonds (distance) P-C4' energy: -114.351
flat angles C4'-P-C4' energy: -108.808
flat angles P-C4'-P energy: -62.587
tors. eta vs tors. theta energy: 13.066
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: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2651.824088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.824088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.824088 (E_RNA)
where:
Base-Base interactions energy: -1847.390
where: short stacking energy: -796.798
Base-Backbone interact. energy: -1.337
local terms energy: -803.097312
where:
bonds (distance) C4'-P energy: -140.320
bonds (distance) P-C4' energy: -144.465
flat angles C4'-P-C4' energy: -166.832
flat angles P-C4'-P energy: -117.612
tors. eta vs tors. theta energy: -233.868
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: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2541.702288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.702288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.702288 (E_RNA)
where:
Base-Base interactions energy: -1783.553
where: short stacking energy: -757.597
Base-Backbone interact. energy: -1.114
local terms energy: -757.035359
where:
bonds (distance) C4'-P energy: -147.649
bonds (distance) P-C4' energy: -139.527
flat angles C4'-P-C4' energy: -149.695
flat angles P-C4'-P energy: -101.700
tors. eta vs tors. theta energy: -218.465
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: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2411.606343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.606343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.606343 (E_RNA)
where:
Base-Base interactions energy: -1669.411
where: short stacking energy: -702.545
Base-Backbone interact. energy: 0.475
local terms energy: -742.669509
where:
bonds (distance) C4'-P energy: -137.226
bonds (distance) P-C4' energy: -141.084
flat angles C4'-P-C4' energy: -148.920
flat angles P-C4'-P energy: -106.222
tors. eta vs tors. theta energy: -209.217
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: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2387.045112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.045112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.045112 (E_RNA)
where:
Base-Base interactions energy: -1640.200
where: short stacking energy: -691.327
Base-Backbone interact. energy: -3.235
local terms energy: -743.610115
where:
bonds (distance) C4'-P energy: -124.240
bonds (distance) P-C4' energy: -138.098
flat angles C4'-P-C4' energy: -148.911
flat angles P-C4'-P energy: -111.392
tors. eta vs tors. theta energy: -220.968
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: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2263.737819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.737819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.737819 (E_RNA)
where:
Base-Base interactions energy: -1571.854
where: short stacking energy: -663.863
Base-Backbone interact. energy: -3.955
local terms energy: -687.928397
where:
bonds (distance) C4'-P energy: -119.739
bonds (distance) P-C4' energy: -138.772
flat angles C4'-P-C4' energy: -146.106
flat angles P-C4'-P energy: -89.993
tors. eta vs tors. theta energy: -193.318
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: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1941.780633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.780633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.780633 (E_RNA)
where:
Base-Base interactions energy: -1288.741
where: short stacking energy: -545.354
Base-Backbone interact. energy: -1.780
local terms energy: -651.260356
where:
bonds (distance) C4'-P energy: -123.528
bonds (distance) P-C4' energy: -134.049
flat angles C4'-P-C4' energy: -143.907
flat angles P-C4'-P energy: -88.401
tors. eta vs tors. theta energy: -161.376
Dist. restrs. and SS energy: 0.000 (S_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: 320
Temperature: 1.200000
Total energy: -1735.171524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.171524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.171524 (E_RNA)
where:
Base-Base interactions energy: -1135.782
where: short stacking energy: -497.072
Base-Backbone interact. energy: -3.561
local terms energy: -595.828526
where:
bonds (distance) C4'-P energy: -130.177
bonds (distance) P-C4' energy: -113.517
flat angles C4'-P-C4' energy: -141.508
flat angles P-C4'-P energy: -78.781
tors. eta vs tors. theta energy: -131.845
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: 8, replica: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1266.789885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.789885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.789885 (E_RNA)
where:
Base-Base interactions energy: -790.107
where: short stacking energy: -371.878
Base-Backbone interact. energy: -0.559
local terms energy: -476.123910
where:
bonds (distance) C4'-P energy: -108.062
bonds (distance) P-C4' energy: -123.001
flat angles C4'-P-C4' energy: -114.510
flat angles P-C4'-P energy: -57.241
tors. eta vs tors. theta energy: -73.310
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: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1111.625793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.625793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.625793 (E_RNA)
where:
Base-Base interactions energy: -651.676
where: short stacking energy: -317.024
Base-Backbone interact. energy: -1.101
local terms energy: -458.848499
where:
bonds (distance) C4'-P energy: -139.403
bonds (distance) P-C4' energy: -117.778
flat angles C4'-P-C4' energy: -122.251
flat angles P-C4'-P energy: -50.359
tors. eta vs tors. theta energy: -29.057
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: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -699.374222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.374222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.374222 (E_RNA)
where:
Base-Base interactions energy: -328.741
where: short stacking energy: -196.325
Base-Backbone interact. energy: 2.759
local terms energy: -373.392514
where:
bonds (distance) C4'-P energy: -119.080
bonds (distance) P-C4' energy: -120.516
flat angles C4'-P-C4' energy: -106.722
flat angles P-C4'-P energy: -46.185
tors. eta vs tors. theta energy: 19.111
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: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2664.545221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.545221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.545221 (E_RNA)
where:
Base-Base interactions energy: -1828.039
where: short stacking energy: -828.950
Base-Backbone interact. energy: -0.778
local terms energy: -835.728270
where:
bonds (distance) C4'-P energy: -143.735
bonds (distance) P-C4' energy: -156.570
flat angles C4'-P-C4' energy: -178.175
flat angles P-C4'-P energy: -111.772
tors. eta vs tors. theta energy: -245.477
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: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2571.592910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.592910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.592910 (E_RNA)
where:
Base-Base interactions energy: -1779.446
where: short stacking energy: -750.115
Base-Backbone interact. energy: -3.423
local terms energy: -788.723830
where:
bonds (distance) C4'-P energy: -140.233
bonds (distance) P-C4' energy: -147.988
flat angles C4'-P-C4' energy: -171.825
flat angles P-C4'-P energy: -107.663
tors. eta vs tors. theta energy: -221.014
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: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2418.363618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.363618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.363618 (E_RNA)
where:
Base-Base interactions energy: -1674.621
where: short stacking energy: -716.352
Base-Backbone interact. energy: -1.450
local terms energy: -742.292532
where:
bonds (distance) C4'-P energy: -129.417
bonds (distance) P-C4' energy: -143.749
flat angles C4'-P-C4' energy: -148.672
flat angles P-C4'-P energy: -111.503
tors. eta vs tors. theta energy: -208.952
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: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2370.389647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.389647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.389647 (E_RNA)
where:
Base-Base interactions energy: -1617.727
where: short stacking energy: -713.622
Base-Backbone interact. energy: -5.199
local terms energy: -747.463741
where:
bonds (distance) C4'-P energy: -130.058
bonds (distance) P-C4' energy: -128.819
flat angles C4'-P-C4' energy: -167.412
flat angles P-C4'-P energy: -99.731
tors. eta vs tors. theta energy: -221.444
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: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2282.761719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.761719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.761719 (E_RNA)
where:
Base-Base interactions energy: -1554.220
where: short stacking energy: -662.755
Base-Backbone interact. energy: -2.485
local terms energy: -726.056833
where:
bonds (distance) C4'-P energy: -117.030
bonds (distance) P-C4' energy: -142.064
flat angles C4'-P-C4' energy: -155.414
flat angles P-C4'-P energy: -109.881
tors. eta vs tors. theta energy: -201.668
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: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1902.231913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.231913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.231913 (E_RNA)
where:
Base-Base interactions energy: -1274.989
where: short stacking energy: -564.325
Base-Backbone interact. energy: -1.446
local terms energy: -625.796934
where:
bonds (distance) C4'-P energy: -110.530
bonds (distance) P-C4' energy: -135.812
flat angles C4'-P-C4' energy: -133.220
flat angles P-C4'-P energy: -91.911
tors. eta vs tors. theta energy: -154.323
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: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1698.543866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.543866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.543866 (E_RNA)
where:
Base-Base interactions energy: -1117.930
where: short stacking energy: -481.219
Base-Backbone interact. energy: -1.940
local terms energy: -578.673641
where:
bonds (distance) C4'-P energy: -141.312
bonds (distance) P-C4' energy: -117.635
flat angles C4'-P-C4' energy: -131.615
flat angles P-C4'-P energy: -71.217
tors. eta vs tors. theta energy: -116.895
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: 321
Temperature: 1.250000
Total energy: -1339.949574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.949574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.949574 (E_RNA)
where:
Base-Base interactions energy: -864.018
where: short stacking energy: -397.949
Base-Backbone interact. energy: -3.650
local terms energy: -472.282314
where:
bonds (distance) C4'-P energy: -103.221
bonds (distance) P-C4' energy: -110.036
flat angles C4'-P-C4' energy: -117.268
flat angles P-C4'-P energy: -79.644
tors. eta vs tors. theta energy: -62.113
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: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1106.413408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.413408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.413408 (E_RNA)
where:
Base-Base interactions energy: -668.427
where: short stacking energy: -330.535
Base-Backbone interact. energy: -2.816
local terms energy: -435.171111
where:
bonds (distance) C4'-P energy: -111.374
bonds (distance) P-C4' energy: -114.165
flat angles C4'-P-C4' energy: -84.828
flat angles P-C4'-P energy: -90.088
tors. eta vs tors. theta energy: -34.716
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: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -756.821307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.821307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.821307 (E_RNA)
where:
Base-Base interactions energy: -361.749
where: short stacking energy: -208.717
Base-Backbone interact. energy: 9.494
local terms energy: -404.566413
where:
bonds (distance) C4'-P energy: -119.767
bonds (distance) P-C4' energy: -133.426
flat angles C4'-P-C4' energy: -107.616
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -0.041
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: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2650.890682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.890682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.890682 (E_RNA)
where:
Base-Base interactions energy: -1818.045
where: short stacking energy: -773.100
Base-Backbone interact. energy: -5.582
local terms energy: -827.263258
where:
bonds (distance) C4'-P energy: -149.782
bonds (distance) P-C4' energy: -154.058
flat angles C4'-P-C4' energy: -175.106
flat angles P-C4'-P energy: -112.836
tors. eta vs tors. theta energy: -235.481
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: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2516.706515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.706515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.706515 (E_RNA)
where:
Base-Base interactions energy: -1751.849
where: short stacking energy: -732.988
Base-Backbone interact. energy: -3.906
local terms energy: -760.951585
where:
bonds (distance) C4'-P energy: -132.678
bonds (distance) P-C4' energy: -145.976
flat angles C4'-P-C4' energy: -151.565
flat angles P-C4'-P energy: -112.135
tors. eta vs tors. theta energy: -218.597
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: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2467.323150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.323150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.323150 (E_RNA)
where:
Base-Base interactions energy: -1685.218
where: short stacking energy: -745.213
Base-Backbone interact. energy: -6.717
local terms energy: -775.388378
where:
bonds (distance) C4'-P energy: -137.891
bonds (distance) P-C4' energy: -148.128
flat angles C4'-P-C4' energy: -165.706
flat angles P-C4'-P energy: -100.545
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: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2378.925915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.925915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.925915 (E_RNA)
where:
Base-Base interactions energy: -1668.900
where: short stacking energy: -716.961
Base-Backbone interact. energy: -1.319
local terms energy: -708.707410
where:
bonds (distance) C4'-P energy: -137.878
bonds (distance) P-C4' energy: -126.448
flat angles C4'-P-C4' energy: -138.233
flat angles P-C4'-P energy: -101.242
tors. eta vs tors. theta energy: -204.906
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: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2288.524175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.524175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.524175 (E_RNA)
where:
Base-Base interactions energy: -1566.161
where: short stacking energy: -660.968
Base-Backbone interact. energy: -1.954
local terms energy: -720.408880
where:
bonds (distance) C4'-P energy: -131.565
bonds (distance) P-C4' energy: -144.900
flat angles C4'-P-C4' energy: -160.691
flat angles P-C4'-P energy: -94.033
tors. eta vs tors. theta energy: -189.219
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: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1919.656939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.656939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.656939 (E_RNA)
where:
Base-Base interactions energy: -1293.833
where: short stacking energy: -589.508
Base-Backbone interact. energy: -0.375
local terms energy: -625.448973
where:
bonds (distance) C4'-P energy: -109.920
bonds (distance) P-C4' energy: -126.982
flat angles C4'-P-C4' energy: -142.107
flat angles P-C4'-P energy: -78.795
tors. eta vs tors. theta energy: -167.646
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: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1737.277457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.277457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.277457 (E_RNA)
where:
Base-Base interactions energy: -1151.318
where: short stacking energy: -511.339
Base-Backbone interact. energy: 2.495
local terms energy: -588.454115
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -127.765
flat angles C4'-P-C4' energy: -125.271
flat angles P-C4'-P energy: -84.426
tors. eta vs tors. theta energy: -117.344
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: 322
Temperature: 1.250000
Total energy: -1376.370671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.370671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.370671 (E_RNA)
where:
Base-Base interactions energy: -853.330
where: short stacking energy: -421.564
Base-Backbone interact. energy: -3.061
local terms energy: -519.980378
where:
bonds (distance) C4'-P energy: -129.626
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -122.172
flat angles P-C4'-P energy: -61.102
tors. eta vs tors. theta energy: -87.857
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: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1152.243575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.243575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.243575 (E_RNA)
where:
Base-Base interactions energy: -696.550
where: short stacking energy: -331.550
Base-Backbone interact. energy: -2.724
local terms energy: -452.969177
where:
bonds (distance) C4'-P energy: -96.053
bonds (distance) P-C4' energy: -121.981
flat angles C4'-P-C4' energy: -107.651
flat angles P-C4'-P energy: -69.711
tors. eta vs tors. theta energy: -57.573
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: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -748.816583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.816583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.816583 (E_RNA)
where:
Base-Base interactions energy: -346.868
where: short stacking energy: -180.103
Base-Backbone interact. energy: 3.344
local terms energy: -405.292794
where:
bonds (distance) C4'-P energy: -113.922
bonds (distance) P-C4' energy: -133.756
flat angles C4'-P-C4' energy: -101.290
flat angles P-C4'-P energy: -60.162
tors. eta vs tors. theta energy: 3.837
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: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2651.429564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.429564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.429564 (E_RNA)
where:
Base-Base interactions energy: -1812.580
where: short stacking energy: -796.352
Base-Backbone interact. energy: -2.232
local terms energy: -836.617895
where:
bonds (distance) C4'-P energy: -160.510
bonds (distance) P-C4' energy: -149.713
flat angles C4'-P-C4' energy: -171.270
flat angles P-C4'-P energy: -118.711
tors. eta vs tors. theta energy: -236.415
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: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2528.784887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.784887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.784887 (E_RNA)
where:
Base-Base interactions energy: -1744.264
where: short stacking energy: -734.384
Base-Backbone interact. energy: -2.897
local terms energy: -781.623036
where:
bonds (distance) C4'-P energy: -143.531
bonds (distance) P-C4' energy: -153.073
flat angles C4'-P-C4' energy: -159.328
flat angles P-C4'-P energy: -116.332
tors. eta vs tors. theta energy: -209.359
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: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2439.860653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.860653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.860653 (E_RNA)
where:
Base-Base interactions energy: -1663.982
where: short stacking energy: -709.906
Base-Backbone interact. energy: -5.444
local terms energy: -770.434895
where:
bonds (distance) C4'-P energy: -132.172
bonds (distance) P-C4' energy: -141.714
flat angles C4'-P-C4' energy: -172.661
flat angles P-C4'-P energy: -113.931
tors. eta vs tors. theta energy: -209.957
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: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2357.124899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.124899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.124899 (E_RNA)
where:
Base-Base interactions energy: -1622.379
where: short stacking energy: -694.771
Base-Backbone interact. energy: -0.272
local terms energy: -734.473746
where:
bonds (distance) C4'-P energy: -130.469
bonds (distance) P-C4' energy: -147.297
flat angles C4'-P-C4' energy: -168.104
flat angles P-C4'-P energy: -92.995
tors. eta vs tors. theta energy: -195.609
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: 323
Temperature: 1.100000
Total energy: -2241.181421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.181421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.181421 (E_RNA)
where:
Base-Base interactions energy: -1545.455
where: short stacking energy: -633.806
Base-Backbone interact. energy: -3.214
local terms energy: -692.512721
where:
bonds (distance) C4'-P energy: -115.798
bonds (distance) P-C4' energy: -128.527
flat angles C4'-P-C4' energy: -157.016
flat angles P-C4'-P energy: -101.192
tors. eta vs tors. theta energy: -189.979
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: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1938.694520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.694520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.694520 (E_RNA)
where:
Base-Base interactions energy: -1286.912
where: short stacking energy: -588.993
Base-Backbone interact. energy: -4.532
local terms energy: -647.250808
where:
bonds (distance) C4'-P energy: -116.026
bonds (distance) P-C4' energy: -131.594
flat angles C4'-P-C4' energy: -133.923
flat angles P-C4'-P energy: -94.086
tors. eta vs tors. theta energy: -171.622
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: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1744.695437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.695437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.695437 (E_RNA)
where:
Base-Base interactions energy: -1149.845
where: short stacking energy: -509.529
Base-Backbone interact. energy: 2.076
local terms energy: -596.926281
where:
bonds (distance) C4'-P energy: -126.961
bonds (distance) P-C4' energy: -125.734
flat angles C4'-P-C4' energy: -140.132
flat angles P-C4'-P energy: -85.921
tors. eta vs tors. theta energy: -118.177
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: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1379.408485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.408485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.408485 (E_RNA)
where:
Base-Base interactions energy: -840.756
where: short stacking energy: -399.481
Base-Backbone interact. energy: -0.108
local terms energy: -538.544441
where:
bonds (distance) C4'-P energy: -99.205
bonds (distance) P-C4' energy: -129.214
flat angles C4'-P-C4' energy: -117.594
flat angles P-C4'-P energy: -91.992
tors. eta vs tors. theta energy: -100.539
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: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1228.933598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.933598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.933598 (E_RNA)
where:
Base-Base interactions energy: -728.484
where: short stacking energy: -343.703
Base-Backbone interact. energy: 3.670
local terms energy: -504.118949
where:
bonds (distance) C4'-P energy: -133.122
bonds (distance) P-C4' energy: -127.909
flat angles C4'-P-C4' energy: -117.263
flat angles P-C4'-P energy: -64.679
tors. eta vs tors. theta energy: -61.146
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: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -774.990568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.990568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.990568 (E_RNA)
where:
Base-Base interactions energy: -399.113
where: short stacking energy: -224.680
Base-Backbone interact. energy: -1.298
local terms energy: -374.580075
where:
bonds (distance) C4'-P energy: -105.759
bonds (distance) P-C4' energy: -115.022
flat angles C4'-P-C4' energy: -95.390
flat angles P-C4'-P energy: -63.118
tors. eta vs tors. theta energy: 4.710
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: 324
Temperature: 0.900000
Total energy: -2632.278853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.278853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.278853 (E_RNA)
where:
Base-Base interactions energy: -1827.153
where: short stacking energy: -819.009
Base-Backbone interact. energy: 1.763
local terms energy: -806.888716
where:
bonds (distance) C4'-P energy: -122.869
bonds (distance) P-C4' energy: -148.074
flat angles C4'-P-C4' energy: -164.698
flat angles P-C4'-P energy: -126.134
tors. eta vs tors. theta energy: -245.113
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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2499.021281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.021281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.021281 (E_RNA)
where:
Base-Base interactions energy: -1749.559
where: short stacking energy: -754.596
Base-Backbone interact. energy: -4.730
local terms energy: -744.733091
where:
bonds (distance) C4'-P energy: -128.396
bonds (distance) P-C4' energy: -135.995
flat angles C4'-P-C4' energy: -170.147
flat angles P-C4'-P energy: -94.683
tors. eta vs tors. theta energy: -215.513
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: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2431.809833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.809833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.809833 (E_RNA)
where:
Base-Base interactions energy: -1689.401
where: short stacking energy: -732.255
Base-Backbone interact. energy: -2.380
local terms energy: -740.029207
where:
bonds (distance) C4'-P energy: -121.751
bonds (distance) P-C4' energy: -129.890
flat angles C4'-P-C4' energy: -164.061
flat angles P-C4'-P energy: -114.515
tors. eta vs tors. theta energy: -209.812
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: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2366.208881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.208881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.208881 (E_RNA)
where:
Base-Base interactions energy: -1642.254
where: short stacking energy: -706.842
Base-Backbone interact. energy: -2.223
local terms energy: -721.731635
where:
bonds (distance) C4'-P energy: -133.147
bonds (distance) P-C4' energy: -128.872
flat angles C4'-P-C4' energy: -149.820
flat angles P-C4'-P energy: -109.965
tors. eta vs tors. theta energy: -199.928
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: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2312.372370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.372370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.372370 (E_RNA)
where:
Base-Base interactions energy: -1609.420
where: short stacking energy: -699.231
Base-Backbone interact. energy: -1.411
local terms energy: -701.540764
where:
bonds (distance) C4'-P energy: -124.668
bonds (distance) P-C4' energy: -129.633
flat angles C4'-P-C4' energy: -151.136
flat angles P-C4'-P energy: -98.003
tors. eta vs tors. theta energy: -198.100
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: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1971.448929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.448929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.448929 (E_RNA)
where:
Base-Base interactions energy: -1291.534
where: short stacking energy: -571.022
Base-Backbone interact. energy: -5.020
local terms energy: -674.894379
where:
bonds (distance) C4'-P energy: -125.402
bonds (distance) P-C4' energy: -130.378
flat angles C4'-P-C4' energy: -149.182
flat angles P-C4'-P energy: -96.663
tors. eta vs tors. theta energy: -173.269
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: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1782.690834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.690834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.690834 (E_RNA)
where:
Base-Base interactions energy: -1195.955
where: short stacking energy: -518.695
Base-Backbone interact. energy: -5.012
local terms energy: -581.724800
where:
bonds (distance) C4'-P energy: -119.037
bonds (distance) P-C4' energy: -120.670
flat angles C4'-P-C4' energy: -127.607
flat angles P-C4'-P energy: -87.116
tors. eta vs tors. theta energy: -127.295
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: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1391.913913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.913913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.913913 (E_RNA)
where:
Base-Base interactions energy: -860.390
where: short stacking energy: -418.239
Base-Backbone interact. energy: 0.126
local terms energy: -531.649514
where:
bonds (distance) C4'-P energy: -123.138
bonds (distance) P-C4' energy: -143.226
flat angles C4'-P-C4' energy: -99.731
flat angles P-C4'-P energy: -73.999
tors. eta vs tors. theta energy: -91.556
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: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1148.909319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.909319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.909319 (E_RNA)
where:
Base-Base interactions energy: -675.539
where: short stacking energy: -325.648
Base-Backbone interact. energy: -4.315
local terms energy: -469.055530
where:
bonds (distance) C4'-P energy: -124.140
bonds (distance) P-C4' energy: -108.748
flat angles C4'-P-C4' energy: -113.587
flat angles P-C4'-P energy: -80.931
tors. eta vs tors. theta energy: -41.648
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: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -781.549450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.549450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.549450 (E_RNA)
where:
Base-Base interactions energy: -410.287
where: short stacking energy: -234.529
Base-Backbone interact. energy: -1.280
local terms energy: -369.982166
where:
bonds (distance) C4'-P energy: -94.268
bonds (distance) P-C4' energy: -127.630
flat angles C4'-P-C4' energy: -99.488
flat angles P-C4'-P energy: -44.661
tors. eta vs tors. theta energy: -3.934
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: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2610.384543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.384543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.384543 (E_RNA)
where:
Base-Base interactions energy: -1812.623
where: short stacking energy: -797.168
Base-Backbone interact. energy: -1.191
local terms energy: -796.569974
where:
bonds (distance) C4'-P energy: -126.176
bonds (distance) P-C4' energy: -158.163
flat angles C4'-P-C4' energy: -162.854
flat angles P-C4'-P energy: -112.645
tors. eta vs tors. theta energy: -236.731
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: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2568.798857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.798857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.798857 (E_RNA)
where:
Base-Base interactions energy: -1777.519
where: short stacking energy: -744.522
Base-Backbone interact. energy: -4.775
local terms energy: -786.504301
where:
bonds (distance) C4'-P energy: -149.927
bonds (distance) P-C4' energy: -148.674
flat angles C4'-P-C4' energy: -165.113
flat angles P-C4'-P energy: -109.350
tors. eta vs tors. theta energy: -213.440
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: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2450.579017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.579017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.579017 (E_RNA)
where:
Base-Base interactions energy: -1697.477
where: short stacking energy: -742.661
Base-Backbone interact. energy: -2.274
local terms energy: -750.828404
where:
bonds (distance) C4'-P energy: -139.252
bonds (distance) P-C4' energy: -134.307
flat angles C4'-P-C4' energy: -161.980
flat angles P-C4'-P energy: -95.381
tors. eta vs tors. theta energy: -219.909
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: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2341.117818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.117818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.117818 (E_RNA)
where:
Base-Base interactions energy: -1603.713
where: short stacking energy: -669.083
Base-Backbone interact. energy: 1.513
local terms energy: -738.918167
where:
bonds (distance) C4'-P energy: -127.115
bonds (distance) P-C4' energy: -135.989
flat angles C4'-P-C4' energy: -166.708
flat angles P-C4'-P energy: -117.852
tors. eta vs tors. theta energy: -191.255
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: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2278.091560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.091560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.091560 (E_RNA)
where:
Base-Base interactions energy: -1561.243
where: short stacking energy: -663.031
Base-Backbone interact. energy: -1.407
local terms energy: -715.441671
where:
bonds (distance) C4'-P energy: -138.708
bonds (distance) P-C4' energy: -128.786
flat angles C4'-P-C4' energy: -147.390
flat angles P-C4'-P energy: -101.254
tors. eta vs tors. theta energy: -199.304
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: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1942.119767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.119767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.119767 (E_RNA)
where:
Base-Base interactions energy: -1274.179
where: short stacking energy: -585.707
Base-Backbone interact. energy: -2.736
local terms energy: -665.204942
where:
bonds (distance) C4'-P energy: -127.396
bonds (distance) P-C4' energy: -140.118
flat angles C4'-P-C4' energy: -140.879
flat angles P-C4'-P energy: -99.169
tors. eta vs tors. theta energy: -157.644
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: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1745.284153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.284153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.284153 (E_RNA)
where:
Base-Base interactions energy: -1165.565
where: short stacking energy: -516.460
Base-Backbone interact. energy: -0.863
local terms energy: -578.856180
where:
bonds (distance) C4'-P energy: -112.136
bonds (distance) P-C4' energy: -130.160
flat angles C4'-P-C4' energy: -128.415
flat angles P-C4'-P energy: -80.617
tors. eta vs tors. theta energy: -127.529
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: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1396.347754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.347754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.347754 (E_RNA)
where:
Base-Base interactions energy: -886.228
where: short stacking energy: -383.843
Base-Backbone interact. energy: 11.158
local terms energy: -521.277873
where:
bonds (distance) C4'-P energy: -117.984
bonds (distance) P-C4' energy: -125.146
flat angles C4'-P-C4' energy: -125.364
flat angles P-C4'-P energy: -77.447
tors. eta vs tors. theta energy: -75.337
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: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1113.133418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.133418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.133418 (E_RNA)
where:
Base-Base interactions energy: -638.022
where: short stacking energy: -305.942
Base-Backbone interact. energy: -0.771
local terms energy: -474.339844
where:
bonds (distance) C4'-P energy: -134.199
bonds (distance) P-C4' energy: -141.010
flat angles C4'-P-C4' energy: -107.746
flat angles P-C4'-P energy: -62.478
tors. eta vs tors. theta energy: -28.906
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: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -821.675004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.675004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.675004 (E_RNA)
where:
Base-Base interactions energy: -430.547
where: short stacking energy: -207.588
Base-Backbone interact. energy: 0.138
local terms energy: -391.265721
where:
bonds (distance) C4'-P energy: -133.878
bonds (distance) P-C4' energy: -116.177
flat angles C4'-P-C4' energy: -108.405
flat angles P-C4'-P energy: -59.835
tors. eta vs tors. theta energy: 27.030
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: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2614.187446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.187446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.187446 (E_RNA)
where:
Base-Base interactions energy: -1815.300
where: short stacking energy: -794.822
Base-Backbone interact. energy: 0.626
local terms energy: -799.513607
where:
bonds (distance) C4'-P energy: -147.704
bonds (distance) P-C4' energy: -141.228
flat angles C4'-P-C4' energy: -160.452
flat angles P-C4'-P energy: -113.407
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: 326
Temperature: 0.950000
Total energy: -2522.523378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.523378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.523378 (E_RNA)
where:
Base-Base interactions energy: -1723.188
where: short stacking energy: -727.979
Base-Backbone interact. energy: -2.146
local terms energy: -797.188651
where:
bonds (distance) C4'-P energy: -138.036
bonds (distance) P-C4' energy: -152.012
flat angles C4'-P-C4' energy: -169.834
flat angles P-C4'-P energy: -124.759
tors. eta vs tors. theta energy: -212.548
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: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2451.371535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.371535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.371535 (E_RNA)
where:
Base-Base interactions energy: -1673.376
where: short stacking energy: -733.092
Base-Backbone interact. energy: -6.377
local terms energy: -771.618379
where:
bonds (distance) C4'-P energy: -140.719
bonds (distance) P-C4' energy: -138.789
flat angles C4'-P-C4' energy: -162.473
flat angles P-C4'-P energy: -109.890
tors. eta vs tors. theta energy: -219.747
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: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2355.812735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.812735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.812735 (E_RNA)
where:
Base-Base interactions energy: -1619.879
where: short stacking energy: -683.198
Base-Backbone interact. energy: -3.819
local terms energy: -732.115420
where:
bonds (distance) C4'-P energy: -134.911
bonds (distance) P-C4' energy: -133.238
flat angles C4'-P-C4' energy: -168.354
flat angles P-C4'-P energy: -98.004
tors. eta vs tors. theta energy: -197.610
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: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2266.722738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.722738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.722738 (E_RNA)
where:
Base-Base interactions energy: -1582.522
where: short stacking energy: -674.674
Base-Backbone interact. energy: -0.583
local terms energy: -683.618169
where:
bonds (distance) C4'-P energy: -126.570
bonds (distance) P-C4' energy: -126.997
flat angles C4'-P-C4' energy: -150.832
flat angles P-C4'-P energy: -85.043
tors. eta vs tors. theta energy: -194.175
Dist. restrs. and SS energy: 0.000 (S_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: 326
Temperature: 1.150000
Total energy: -1979.972539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.972539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.972539 (E_RNA)
where:
Base-Base interactions energy: -1335.963
where: short stacking energy: -579.356
Base-Backbone interact. energy: -3.509
local terms energy: -640.500605
where:
bonds (distance) C4'-P energy: -110.873
bonds (distance) P-C4' energy: -138.189
flat angles C4'-P-C4' energy: -138.079
flat angles P-C4'-P energy: -89.310
tors. eta vs tors. theta energy: -164.049
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: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1685.936701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.936701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.936701 (E_RNA)
where:
Base-Base interactions energy: -1121.118
where: short stacking energy: -510.343
Base-Backbone interact. energy: 2.158
local terms energy: -566.976328
where:
bonds (distance) C4'-P energy: -97.503
bonds (distance) P-C4' energy: -124.289
flat angles C4'-P-C4' energy: -128.254
flat angles P-C4'-P energy: -100.458
tors. eta vs tors. theta energy: -116.473
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: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1425.969406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.969406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.969406 (E_RNA)
where:
Base-Base interactions energy: -912.050
where: short stacking energy: -410.240
Base-Backbone interact. energy: -1.912
local terms energy: -512.007891
where:
bonds (distance) C4'-P energy: -128.474
bonds (distance) P-C4' energy: -104.691
flat angles C4'-P-C4' energy: -109.866
flat angles P-C4'-P energy: -83.135
tors. eta vs tors. theta energy: -85.842
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: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1180.167526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.167526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.167526 (E_RNA)
where:
Base-Base interactions energy: -735.100
where: short stacking energy: -355.013
Base-Backbone interact. energy: 3.299
local terms energy: -448.366280
where:
bonds (distance) C4'-P energy: -117.269
bonds (distance) P-C4' energy: -103.830
flat angles C4'-P-C4' energy: -106.316
flat angles P-C4'-P energy: -67.610
tors. eta vs tors. theta energy: -53.342
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: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -806.280059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.280059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.280059 (E_RNA)
where:
Base-Base interactions energy: -437.619
where: short stacking energy: -264.148
Base-Backbone interact. energy: 8.987
local terms energy: -377.648538
where:
bonds (distance) C4'-P energy: -113.077
bonds (distance) P-C4' energy: -102.903
flat angles C4'-P-C4' energy: -107.848
flat angles P-C4'-P energy: -49.092
tors. eta vs tors. theta energy: -4.728
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: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2618.584565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.584565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.584565 (E_RNA)
where:
Base-Base interactions energy: -1791.952
where: short stacking energy: -772.324
Base-Backbone interact. energy: 1.493
local terms energy: -828.125671
where:
bonds (distance) C4'-P energy: -144.257
bonds (distance) P-C4' energy: -158.087
flat angles C4'-P-C4' energy: -172.032
flat angles P-C4'-P energy: -122.763
tors. eta vs tors. theta energy: -230.987
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: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2500.549265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.549265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.549265 (E_RNA)
where:
Base-Base interactions energy: -1720.798
where: short stacking energy: -738.888
Base-Backbone interact. energy: -1.652
local terms energy: -778.098828
where:
bonds (distance) C4'-P energy: -157.857
bonds (distance) P-C4' energy: -131.716
flat angles C4'-P-C4' energy: -167.939
flat angles P-C4'-P energy: -105.920
tors. eta vs tors. theta energy: -214.667
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: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2448.936678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.936678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.936678 (E_RNA)
where:
Base-Base interactions energy: -1693.744
where: short stacking energy: -728.068
Base-Backbone interact. energy: 0.769
local terms energy: -755.960936
where:
bonds (distance) C4'-P energy: -147.664
bonds (distance) P-C4' energy: -131.088
flat angles C4'-P-C4' energy: -159.379
flat angles P-C4'-P energy: -94.130
tors. eta vs tors. theta energy: -223.700
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: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2339.658790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.658790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.658790 (E_RNA)
where:
Base-Base interactions energy: -1637.094
where: short stacking energy: -715.380
Base-Backbone interact. energy: -1.113
local terms energy: -701.451096
where:
bonds (distance) C4'-P energy: -126.140
bonds (distance) P-C4' energy: -128.496
flat angles C4'-P-C4' energy: -150.768
flat angles P-C4'-P energy: -97.329
tors. eta vs tors. theta energy: -198.719
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: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2263.240884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.240884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.240884 (E_RNA)
where:
Base-Base interactions energy: -1579.405
where: short stacking energy: -660.328
Base-Backbone interact. energy: -1.782
local terms energy: -682.053696
where:
bonds (distance) C4'-P energy: -136.715
bonds (distance) P-C4' energy: -106.769
flat angles C4'-P-C4' energy: -145.753
flat angles P-C4'-P energy: -107.508
tors. eta vs tors. theta energy: -185.309
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: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1992.717351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.717351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.717351 (E_RNA)
where:
Base-Base interactions energy: -1331.829
where: short stacking energy: -581.096
Base-Backbone interact. energy: -1.971
local terms energy: -658.917368
where:
bonds (distance) C4'-P energy: -114.571
bonds (distance) P-C4' energy: -139.207
flat angles C4'-P-C4' energy: -148.638
flat angles P-C4'-P energy: -95.022
tors. eta vs tors. theta energy: -161.479
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: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1708.431042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.431042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.431042 (E_RNA)
where:
Base-Base interactions energy: -1112.256
where: short stacking energy: -501.336
Base-Backbone interact. energy: -0.237
local terms energy: -595.938554
where:
bonds (distance) C4'-P energy: -133.461
bonds (distance) P-C4' energy: -119.020
flat angles C4'-P-C4' energy: -135.540
flat angles P-C4'-P energy: -93.268
tors. eta vs tors. theta energy: -114.648
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: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1416.606560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.606560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.606560 (E_RNA)
where:
Base-Base interactions energy: -877.452
where: short stacking energy: -393.489
Base-Backbone interact. energy: -1.033
local terms energy: -538.121714
where:
bonds (distance) C4'-P energy: -120.529
bonds (distance) P-C4' energy: -130.524
flat angles C4'-P-C4' energy: -116.434
flat angles P-C4'-P energy: -89.947
tors. eta vs tors. theta energy: -80.689
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: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1121.043533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.043533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.043533 (E_RNA)
where:
Base-Base interactions energy: -659.142
where: short stacking energy: -327.762
Base-Backbone interact. energy: 2.384
local terms energy: -464.284925
where:
bonds (distance) C4'-P energy: -102.336
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -96.841
flat angles P-C4'-P energy: -79.882
tors. eta vs tors. theta energy: -54.166
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: 327
Temperature: 1.350000
Total energy: -821.472426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.472426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.472426 (E_RNA)
where:
Base-Base interactions energy: -398.334
where: short stacking energy: -208.800
Base-Backbone interact. energy: 1.545
local terms energy: -424.683459
where:
bonds (distance) C4'-P energy: -103.794
bonds (distance) P-C4' energy: -137.354
flat angles C4'-P-C4' energy: -117.686
flat angles P-C4'-P energy: -69.819
tors. eta vs tors. theta energy: 3.970
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: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2629.141911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.141911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.141911 (E_RNA)
where:
Base-Base interactions energy: -1798.938
where: short stacking energy: -779.824
Base-Backbone interact. energy: -0.674
local terms energy: -829.529598
where:
bonds (distance) C4'-P energy: -149.632
bonds (distance) P-C4' energy: -149.917
flat angles C4'-P-C4' energy: -175.808
flat angles P-C4'-P energy: -118.984
tors. eta vs tors. theta energy: -235.189
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: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2507.652432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.652432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.652432 (E_RNA)
where:
Base-Base interactions energy: -1741.743
where: short stacking energy: -716.732
Base-Backbone interact. energy: 1.988
local terms energy: -767.897439
where:
bonds (distance) C4'-P energy: -139.933
bonds (distance) P-C4' energy: -140.920
flat angles C4'-P-C4' energy: -162.198
flat angles P-C4'-P energy: -107.778
tors. eta vs tors. theta energy: -217.070
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: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2519.868291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.868291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.868291 (E_RNA)
where:
Base-Base interactions energy: -1733.385
where: short stacking energy: -768.298
Base-Backbone interact. energy: -2.994
local terms energy: -783.489563
where:
bonds (distance) C4'-P energy: -118.556
bonds (distance) P-C4' energy: -147.301
flat angles C4'-P-C4' energy: -161.064
flat angles P-C4'-P energy: -118.834
tors. eta vs tors. theta energy: -237.735
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: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2337.957265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.957265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.957265 (E_RNA)
where:
Base-Base interactions energy: -1624.511
where: short stacking energy: -679.192
Base-Backbone interact. energy: -2.201
local terms energy: -711.245920
where:
bonds (distance) C4'-P energy: -137.245
bonds (distance) P-C4' energy: -137.150
flat angles C4'-P-C4' energy: -152.310
flat angles P-C4'-P energy: -88.082
tors. eta vs tors. theta energy: -196.459
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: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2309.705985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.705985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.705985 (E_RNA)
where:
Base-Base interactions energy: -1605.998
where: short stacking energy: -685.643
Base-Backbone interact. energy: -1.665
local terms energy: -702.042829
where:
bonds (distance) C4'-P energy: -134.803
bonds (distance) P-C4' energy: -124.924
flat angles C4'-P-C4' energy: -146.404
flat angles P-C4'-P energy: -96.653
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: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1936.602929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.602929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.602929 (E_RNA)
where:
Base-Base interactions energy: -1293.140
where: short stacking energy: -567.033
Base-Backbone interact. energy: -1.875
local terms energy: -641.588160
where:
bonds (distance) C4'-P energy: -126.570
bonds (distance) P-C4' energy: -124.600
flat angles C4'-P-C4' energy: -140.092
flat angles P-C4'-P energy: -89.014
tors. eta vs tors. theta energy: -161.312
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: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1700.900061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.900061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.900061 (E_RNA)
where:
Base-Base interactions energy: -1135.884
where: short stacking energy: -494.416
Base-Backbone interact. energy: -2.702
local terms energy: -562.313952
where:
bonds (distance) C4'-P energy: -125.425
bonds (distance) P-C4' energy: -127.829
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -82.926
tors. eta vs tors. theta energy: -106.714
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: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1373.984544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.984544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.984544 (E_RNA)
where:
Base-Base interactions energy: -847.515
where: short stacking energy: -383.345
Base-Backbone interact. energy: 11.326
local terms energy: -537.795705
where:
bonds (distance) C4'-P energy: -113.238
bonds (distance) P-C4' energy: -131.394
flat angles C4'-P-C4' energy: -137.850
flat angles P-C4'-P energy: -76.942
tors. eta vs tors. theta energy: -78.370
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: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1165.800656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.800656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.800656 (E_RNA)
where:
Base-Base interactions energy: -674.774
where: short stacking energy: -345.057
Base-Backbone interact. energy: 1.492
local terms energy: -492.518342
where:
bonds (distance) C4'-P energy: -105.776
bonds (distance) P-C4' energy: -124.353
flat angles C4'-P-C4' energy: -129.740
flat angles P-C4'-P energy: -76.855
tors. eta vs tors. theta energy: -55.793
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: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -817.401962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.401962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.401962 (E_RNA)
where:
Base-Base interactions energy: -410.418
where: short stacking energy: -237.620
Base-Backbone interact. energy: 0.848
local terms energy: -407.832883
where:
bonds (distance) C4'-P energy: -127.179
bonds (distance) P-C4' energy: -121.936
flat angles C4'-P-C4' energy: -98.662
flat angles P-C4'-P energy: -44.548
tors. eta vs tors. theta energy: -15.508
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: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2626.683810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.683810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.683810 (E_RNA)
where:
Base-Base interactions energy: -1798.072
where: short stacking energy: -786.229
Base-Backbone interact. energy: -0.996
local terms energy: -827.615270
where:
bonds (distance) C4'-P energy: -142.918
bonds (distance) P-C4' energy: -140.926
flat angles C4'-P-C4' energy: -183.090
flat angles P-C4'-P energy: -122.892
tors. eta vs tors. theta energy: -237.790
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: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2515.239628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.239628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.239628 (E_RNA)
where:
Base-Base interactions energy: -1752.800
where: short stacking energy: -723.519
Base-Backbone interact. energy: -1.188
local terms energy: -761.251714
where:
bonds (distance) C4'-P energy: -141.570
bonds (distance) P-C4' energy: -140.421
flat angles C4'-P-C4' energy: -168.644
flat angles P-C4'-P energy: -101.950
tors. eta vs tors. theta energy: -208.666
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: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2476.372382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.372382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.372382 (E_RNA)
where:
Base-Base interactions energy: -1709.968
where: short stacking energy: -783.340
Base-Backbone interact. energy: -1.669
local terms energy: -764.735554
where:
bonds (distance) C4'-P energy: -141.939
bonds (distance) P-C4' energy: -123.681
flat angles C4'-P-C4' energy: -166.363
flat angles P-C4'-P energy: -108.475
tors. eta vs tors. theta energy: -224.278
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: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2357.761199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.761199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.761199 (E_RNA)
where:
Base-Base interactions energy: -1619.092
where: short stacking energy: -665.986
Base-Backbone interact. energy: -1.153
local terms energy: -737.515546
where:
bonds (distance) C4'-P energy: -134.482
bonds (distance) P-C4' energy: -142.935
flat angles C4'-P-C4' energy: -158.254
flat angles P-C4'-P energy: -113.319
tors. eta vs tors. theta energy: -188.526
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: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2243.398485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.398485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.398485 (E_RNA)
where:
Base-Base interactions energy: -1555.862
where: short stacking energy: -648.256
Base-Backbone interact. energy: 1.271
local terms energy: -688.807059
where:
bonds (distance) C4'-P energy: -117.516
bonds (distance) P-C4' energy: -120.397
flat angles C4'-P-C4' energy: -149.483
flat angles P-C4'-P energy: -109.084
tors. eta vs tors. theta energy: -192.327
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: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1949.570921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.570921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.570921 (E_RNA)
where:
Base-Base interactions energy: -1286.105
where: short stacking energy: -567.859
Base-Backbone interact. energy: -3.240
local terms energy: -660.226257
where:
bonds (distance) C4'-P energy: -120.212
bonds (distance) P-C4' energy: -132.309
flat angles C4'-P-C4' energy: -144.948
flat angles P-C4'-P energy: -90.216
tors. eta vs tors. theta energy: -172.541
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: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1719.235102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.235102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.235102 (E_RNA)
where:
Base-Base interactions energy: -1115.665
where: short stacking energy: -490.712
Base-Backbone interact. energy: -1.965
local terms energy: -601.605538
where:
bonds (distance) C4'-P energy: -127.823
bonds (distance) P-C4' energy: -123.270
flat angles C4'-P-C4' energy: -139.556
flat angles P-C4'-P energy: -83.700
tors. eta vs tors. theta energy: -127.257
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: 329
Temperature: 1.250000
Total energy: -1360.308555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.308555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.308555 (E_RNA)
where:
Base-Base interactions energy: -842.566
where: short stacking energy: -407.844
Base-Backbone interact. energy: 0.077
local terms energy: -517.819749
where:
bonds (distance) C4'-P energy: -129.562
bonds (distance) P-C4' energy: -104.541
flat angles C4'-P-C4' energy: -124.672
flat angles P-C4'-P energy: -66.542
tors. eta vs tors. theta energy: -92.503
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: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1227.835362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.835362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.835362 (E_RNA)
where:
Base-Base interactions energy: -727.155
where: short stacking energy: -349.208
Base-Backbone interact. energy: 0.291
local terms energy: -500.971732
where:
bonds (distance) C4'-P energy: -134.179
bonds (distance) P-C4' energy: -128.328
flat angles C4'-P-C4' energy: -116.937
flat angles P-C4'-P energy: -71.173
tors. eta vs tors. theta energy: -50.355
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: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -831.284478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.284478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.284478 (E_RNA)
where:
Base-Base interactions energy: -410.545
where: short stacking energy: -240.874
Base-Backbone interact. energy: 0.405
local terms energy: -421.144772
where:
bonds (distance) C4'-P energy: -124.372
bonds (distance) P-C4' energy: -128.729
flat angles C4'-P-C4' energy: -84.482
flat angles P-C4'-P energy: -64.568
tors. eta vs tors. theta energy: -18.993
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: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2622.763133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.763133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.763133 (E_RNA)
where:
Base-Base interactions energy: -1797.335
where: short stacking energy: -795.411
Base-Backbone interact. energy: -2.297
local terms energy: -823.130750
where:
bonds (distance) C4'-P energy: -152.416
bonds (distance) P-C4' energy: -147.614
flat angles C4'-P-C4' energy: -173.093
flat angles P-C4'-P energy: -122.750
tors. eta vs tors. theta energy: -227.258
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2522.725129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.725129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.725129 (E_RNA)
where:
Base-Base interactions energy: -1771.297
where: short stacking energy: -725.575
Base-Backbone interact. energy: 0.571
local terms energy: -751.999214
where:
bonds (distance) C4'-P energy: -126.786
bonds (distance) P-C4' energy: -139.312
flat angles C4'-P-C4' energy: -161.936
flat angles P-C4'-P energy: -108.830
tors. eta vs tors. theta energy: -215.135
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: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2463.303237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.303237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.303237 (E_RNA)
where:
Base-Base interactions energy: -1684.184
where: short stacking energy: -777.151
Base-Backbone interact. energy: -4.098
local terms energy: -775.020752
where:
bonds (distance) C4'-P energy: -136.246
bonds (distance) P-C4' energy: -145.546
flat angles C4'-P-C4' energy: -154.782
flat angles P-C4'-P energy: -110.171
tors. eta vs tors. theta energy: -228.276
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: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2373.059573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.059573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.059573 (E_RNA)
where:
Base-Base interactions energy: -1666.541
where: short stacking energy: -706.365
Base-Backbone interact. energy: -2.082
local terms energy: -704.436421
where:
bonds (distance) C4'-P energy: -126.806
bonds (distance) P-C4' energy: -139.360
flat angles C4'-P-C4' energy: -149.449
flat angles P-C4'-P energy: -94.167
tors. eta vs tors. theta energy: -194.655
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: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2281.737000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.737000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.737000 (E_RNA)
where:
Base-Base interactions energy: -1567.520
where: short stacking energy: -678.231
Base-Backbone interact. energy: 2.392
local terms energy: -716.608788
where:
bonds (distance) C4'-P energy: -127.238
bonds (distance) P-C4' energy: -131.487
flat angles C4'-P-C4' energy: -163.526
flat angles P-C4'-P energy: -106.476
tors. eta vs tors. theta energy: -187.881
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: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1987.138901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.138901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.138901 (E_RNA)
where:
Base-Base interactions energy: -1331.916
where: short stacking energy: -594.399
Base-Backbone interact. energy: -1.830
local terms energy: -653.393521
where:
bonds (distance) C4'-P energy: -125.874
bonds (distance) P-C4' energy: -138.883
flat angles C4'-P-C4' energy: -138.401
flat angles P-C4'-P energy: -99.327
tors. eta vs tors. theta energy: -150.908
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: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1716.428748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.428748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.428748 (E_RNA)
where:
Base-Base interactions energy: -1139.273
where: short stacking energy: -503.984
Base-Backbone interact. energy: -1.356
local terms energy: -575.799461
where:
bonds (distance) C4'-P energy: -108.622
bonds (distance) P-C4' energy: -125.350
flat angles C4'-P-C4' energy: -119.100
flat angles P-C4'-P energy: -92.687
tors. eta vs tors. theta energy: -130.040
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: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1320.138049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.138049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.138049 (E_RNA)
where:
Base-Base interactions energy: -812.870
where: short stacking energy: -394.665
Base-Backbone interact. energy: -2.362
local terms energy: -504.906592
where:
bonds (distance) C4'-P energy: -128.116
bonds (distance) P-C4' energy: -121.847
flat angles C4'-P-C4' energy: -121.331
flat angles P-C4'-P energy: -64.995
tors. eta vs tors. theta energy: -68.618
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: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1220.641511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.641511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.641511 (E_RNA)
where:
Base-Base interactions energy: -750.739
where: short stacking energy: -348.738
Base-Backbone interact. energy: 4.873
local terms energy: -474.776019
where:
bonds (distance) C4'-P energy: -131.133
bonds (distance) P-C4' energy: -109.035
flat angles C4'-P-C4' energy: -109.676
flat angles P-C4'-P energy: -63.261
tors. eta vs tors. theta energy: -61.671
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: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -845.690503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.690503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.690503 (E_RNA)
where:
Base-Base interactions energy: -423.454
where: short stacking energy: -248.141
Base-Backbone interact. energy: -2.024
local terms energy: -420.212350
where:
bonds (distance) C4'-P energy: -116.437
bonds (distance) P-C4' energy: -113.779
flat angles C4'-P-C4' energy: -107.944
flat angles P-C4'-P energy: -62.229
tors. eta vs tors. theta energy: -19.823
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: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2612.500224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.500224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.500224 (E_RNA)
where:
Base-Base interactions energy: -1797.485
where: short stacking energy: -794.258
Base-Backbone interact. energy: -3.142
local terms energy: -811.873564
where:
bonds (distance) C4'-P energy: -142.888
bonds (distance) P-C4' energy: -157.127
flat angles C4'-P-C4' energy: -163.169
flat angles P-C4'-P energy: -108.726
tors. eta vs tors. theta energy: -239.963
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: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2514.628571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.628571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.628571 (E_RNA)
where:
Base-Base interactions energy: -1778.731
where: short stacking energy: -716.691
Base-Backbone interact. energy: -2.441
local terms energy: -733.456640
where:
bonds (distance) C4'-P energy: -130.102
bonds (distance) P-C4' energy: -132.609
flat angles C4'-P-C4' energy: -163.775
flat angles P-C4'-P energy: -108.172
tors. eta vs tors. theta energy: -198.800
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: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2491.438096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.438096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.438096 (E_RNA)
where:
Base-Base interactions energy: -1698.198
where: short stacking energy: -768.239
Base-Backbone interact. energy: -2.898
local terms energy: -790.341432
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -147.796
flat angles C4'-P-C4' energy: -167.344
flat angles P-C4'-P energy: -111.580
tors. eta vs tors. theta energy: -239.843
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: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2344.450533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.450533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.450533 (E_RNA)
where:
Base-Base interactions energy: -1613.330
where: short stacking energy: -686.814
Base-Backbone interact. energy: -3.142
local terms energy: -727.977997
where:
bonds (distance) C4'-P energy: -127.913
bonds (distance) P-C4' energy: -148.425
flat angles C4'-P-C4' energy: -154.448
flat angles P-C4'-P energy: -103.844
tors. eta vs tors. theta energy: -193.348
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: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2309.077771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.077771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.077771 (E_RNA)
where:
Base-Base interactions energy: -1609.078
where: short stacking energy: -690.689
Base-Backbone interact. energy: -3.590
local terms energy: -696.409244
where:
bonds (distance) C4'-P energy: -133.520
bonds (distance) P-C4' energy: -129.654
flat angles C4'-P-C4' energy: -144.591
flat angles P-C4'-P energy: -100.617
tors. eta vs tors. theta energy: -188.027
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: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1951.256552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.256552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.256552 (E_RNA)
where:
Base-Base interactions energy: -1325.160
where: short stacking energy: -610.010
Base-Backbone interact. energy: -2.128
local terms energy: -623.968960
where:
bonds (distance) C4'-P energy: -114.724
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -138.336
flat angles P-C4'-P energy: -98.232
tors. eta vs tors. theta energy: -169.601
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: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1689.556638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.556638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.556638 (E_RNA)
where:
Base-Base interactions energy: -1116.120
where: short stacking energy: -491.153
Base-Backbone interact. energy: -3.350
local terms energy: -570.086050
where:
bonds (distance) C4'-P energy: -133.830
bonds (distance) P-C4' energy: -127.073
flat angles C4'-P-C4' energy: -118.551
flat angles P-C4'-P energy: -74.949
tors. eta vs tors. theta energy: -115.683
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: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1400.125867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.125867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.125867 (E_RNA)
where:
Base-Base interactions energy: -872.841
where: short stacking energy: -419.369
Base-Backbone interact. energy: -0.806
local terms energy: -526.479341
where:
bonds (distance) C4'-P energy: -115.764
bonds (distance) P-C4' energy: -120.141
flat angles C4'-P-C4' energy: -123.970
flat angles P-C4'-P energy: -83.614
tors. eta vs tors. theta energy: -82.990
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: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1215.094591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.094591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.094591 (E_RNA)
where:
Base-Base interactions energy: -717.432
where: short stacking energy: -347.211
Base-Backbone interact. energy: 0.828
local terms energy: -498.490281
where:
bonds (distance) C4'-P energy: -113.190
bonds (distance) P-C4' energy: -133.592
flat angles C4'-P-C4' energy: -125.401
flat angles P-C4'-P energy: -80.335
tors. eta vs tors. theta energy: -45.971
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: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -828.015501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.015501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.015501 (E_RNA)
where:
Base-Base interactions energy: -441.524
where: short stacking energy: -257.003
Base-Backbone interact. energy: -1.366
local terms energy: -385.125832
where:
bonds (distance) C4'-P energy: -102.044
bonds (distance) P-C4' energy: -103.052
flat angles C4'-P-C4' energy: -115.591
flat angles P-C4'-P energy: -48.357
tors. eta vs tors. theta energy: -16.082
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: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2614.870755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.870755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.870755 (E_RNA)
where:
Base-Base interactions energy: -1803.122
where: short stacking energy: -797.891
Base-Backbone interact. energy: -1.062
local terms energy: -810.685932
where:
bonds (distance) C4'-P energy: -148.764
bonds (distance) P-C4' energy: -147.183
flat angles C4'-P-C4' energy: -168.362
flat angles P-C4'-P energy: -115.837
tors. eta vs tors. theta energy: -230.539
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2549.751718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.751718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.751718 (E_RNA)
where:
Base-Base interactions energy: -1786.512
where: short stacking energy: -741.529
Base-Backbone interact. energy: -2.463
local terms energy: -760.776364
where:
bonds (distance) C4'-P energy: -126.126
bonds (distance) P-C4' energy: -144.892
flat angles C4'-P-C4' energy: -158.581
flat angles P-C4'-P energy: -108.648
tors. eta vs tors. theta energy: -222.529
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: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2519.948258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.948258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.948258 (E_RNA)
where:
Base-Base interactions energy: -1750.295
where: short stacking energy: -766.002
Base-Backbone interact. energy: 1.342
local terms energy: -770.994762
where:
bonds (distance) C4'-P energy: -132.509
bonds (distance) P-C4' energy: -146.954
flat angles C4'-P-C4' energy: -161.396
flat angles P-C4'-P energy: -98.014
tors. eta vs tors. theta energy: -232.121
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: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2330.691522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.691522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.691522 (E_RNA)
where:
Base-Base interactions energy: -1590.237
where: short stacking energy: -679.818
Base-Backbone interact. energy: -0.835
local terms energy: -739.619396
where:
bonds (distance) C4'-P energy: -134.618
bonds (distance) P-C4' energy: -142.351
flat angles C4'-P-C4' energy: -166.483
flat angles P-C4'-P energy: -102.835
tors. eta vs tors. theta energy: -193.332
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: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2265.895387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.895387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.895387 (E_RNA)
where:
Base-Base interactions energy: -1578.842
where: short stacking energy: -666.621
Base-Backbone interact. energy: -3.736
local terms energy: -683.317038
where:
bonds (distance) C4'-P energy: -116.658
bonds (distance) P-C4' energy: -129.290
flat angles C4'-P-C4' energy: -153.077
flat angles P-C4'-P energy: -95.934
tors. eta vs tors. theta energy: -188.358
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: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1949.888076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.888076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.888076 (E_RNA)
where:
Base-Base interactions energy: -1319.359
where: short stacking energy: -605.493
Base-Backbone interact. energy: -2.381
local terms energy: -628.148757
where:
bonds (distance) C4'-P energy: -102.912
bonds (distance) P-C4' energy: -111.390
flat angles C4'-P-C4' energy: -150.000
flat angles P-C4'-P energy: -102.347
tors. eta vs tors. theta energy: -161.500
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: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1684.016990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.016990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.016990 (E_RNA)
where:
Base-Base interactions energy: -1108.762
where: short stacking energy: -485.856
Base-Backbone interact. energy: 0.221
local terms energy: -575.476244
where:
bonds (distance) C4'-P energy: -127.823
bonds (distance) P-C4' energy: -129.586
flat angles C4'-P-C4' energy: -142.017
flat angles P-C4'-P energy: -73.490
tors. eta vs tors. theta energy: -102.561
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: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1415.852213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.852213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.852213 (E_RNA)
where:
Base-Base interactions energy: -896.247
where: short stacking energy: -416.634
Base-Backbone interact. energy: 4.992
local terms energy: -524.596817
where:
bonds (distance) C4'-P energy: -112.990
bonds (distance) P-C4' energy: -110.864
flat angles C4'-P-C4' energy: -132.615
flat angles P-C4'-P energy: -71.167
tors. eta vs tors. theta energy: -96.961
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: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1217.267932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.267932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.267932 (E_RNA)
where:
Base-Base interactions energy: -767.198
where: short stacking energy: -341.016
Base-Backbone interact. energy: -0.054
local terms energy: -450.015784
where:
bonds (distance) C4'-P energy: -106.283
bonds (distance) P-C4' energy: -105.176
flat angles C4'-P-C4' energy: -108.616
flat angles P-C4'-P energy: -81.066
tors. eta vs tors. theta energy: -48.875
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: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -774.923565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.923565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.923565 (E_RNA)
where:
Base-Base interactions energy: -396.543
where: short stacking energy: -221.935
Base-Backbone interact. energy: 7.504
local terms energy: -385.884978
where:
bonds (distance) C4'-P energy: -114.972
bonds (distance) P-C4' energy: -111.505
flat angles C4'-P-C4' energy: -98.893
flat angles P-C4'-P energy: -72.938
tors. eta vs tors. theta energy: 12.423
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: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2633.704909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.704909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.704909 (E_RNA)
where:
Base-Base interactions energy: -1806.469
where: short stacking energy: -811.988
Base-Backbone interact. energy: -0.775
local terms energy: -826.460275
where:
bonds (distance) C4'-P energy: -131.081
bonds (distance) P-C4' energy: -157.741
flat angles C4'-P-C4' energy: -180.458
flat angles P-C4'-P energy: -111.640
tors. eta vs tors. theta energy: -245.541
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2509.674656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.674656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.674656 (E_RNA)
where:
Base-Base interactions energy: -1774.351
where: short stacking energy: -724.301
Base-Backbone interact. energy: -0.389
local terms energy: -734.933971
where:
bonds (distance) C4'-P energy: -131.507
bonds (distance) P-C4' energy: -152.867
flat angles C4'-P-C4' energy: -147.974
flat angles P-C4'-P energy: -93.799
tors. eta vs tors. theta energy: -208.786
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: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2526.139004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.139004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.139004 (E_RNA)
where:
Base-Base interactions energy: -1721.230
where: short stacking energy: -778.398
Base-Backbone interact. energy: -3.693
local terms energy: -801.216068
where:
bonds (distance) C4'-P energy: -150.946
bonds (distance) P-C4' energy: -149.732
flat angles C4'-P-C4' energy: -159.821
flat angles P-C4'-P energy: -109.102
tors. eta vs tors. theta energy: -231.614
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: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2329.832125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.832125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.832125 (E_RNA)
where:
Base-Base interactions energy: -1584.066
where: short stacking energy: -682.063
Base-Backbone interact. energy: -2.249
local terms energy: -743.517470
where:
bonds (distance) C4'-P energy: -127.956
bonds (distance) P-C4' energy: -147.627
flat angles C4'-P-C4' energy: -164.473
flat angles P-C4'-P energy: -101.815
tors. eta vs tors. theta energy: -201.647
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: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2243.836223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.836223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.836223 (E_RNA)
where:
Base-Base interactions energy: -1510.999
where: short stacking energy: -634.377
Base-Backbone interact. energy: -0.190
local terms energy: -732.647857
where:
bonds (distance) C4'-P energy: -140.289
bonds (distance) P-C4' energy: -133.900
flat angles C4'-P-C4' energy: -167.766
flat angles P-C4'-P energy: -107.083
tors. eta vs tors. theta energy: -183.610
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: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1938.359119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.359119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.359119 (E_RNA)
where:
Base-Base interactions energy: -1304.265
where: short stacking energy: -592.209
Base-Backbone interact. energy: -4.145
local terms energy: -629.949287
where:
bonds (distance) C4'-P energy: -129.056
bonds (distance) P-C4' energy: -125.471
flat angles C4'-P-C4' energy: -127.205
flat angles P-C4'-P energy: -91.789
tors. eta vs tors. theta energy: -156.428
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: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1678.655385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.655385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.655385 (E_RNA)
where:
Base-Base interactions energy: -1077.607
where: short stacking energy: -480.878
Base-Backbone interact. energy: -2.435
local terms energy: -598.613497
where:
bonds (distance) C4'-P energy: -120.381
bonds (distance) P-C4' energy: -137.906
flat angles C4'-P-C4' energy: -142.229
flat angles P-C4'-P energy: -74.734
tors. eta vs tors. theta energy: -123.364
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: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1332.489049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.489049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.489049 (E_RNA)
where:
Base-Base interactions energy: -804.456
where: short stacking energy: -389.959
Base-Backbone interact. energy: -0.702
local terms energy: -527.330188
where:
bonds (distance) C4'-P energy: -145.287
bonds (distance) P-C4' energy: -108.285
flat angles C4'-P-C4' energy: -125.628
flat angles P-C4'-P energy: -79.770
tors. eta vs tors. theta energy: -68.359
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: 9, replica: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1236.720568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.720568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.720568 (E_RNA)
where:
Base-Base interactions energy: -734.774
where: short stacking energy: -368.294
Base-Backbone interact. energy: 5.216
local terms energy: -507.162939
where:
bonds (distance) C4'-P energy: -111.674
bonds (distance) P-C4' energy: -122.564
flat angles C4'-P-C4' energy: -135.613
flat angles P-C4'-P energy: -63.740
tors. eta vs tors. theta energy: -73.572
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: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -788.605378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.605378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.605378 (E_RNA)
where:
Base-Base interactions energy: -387.711
where: short stacking energy: -200.675
Base-Backbone interact. energy: -1.632
local terms energy: -399.262266
where:
bonds (distance) C4'-P energy: -103.816
bonds (distance) P-C4' energy: -119.536
flat angles C4'-P-C4' energy: -108.456
flat angles P-C4'-P energy: -57.172
tors. eta vs tors. theta energy: -10.283
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: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2613.497778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.497778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.497778 (E_RNA)
where:
Base-Base interactions energy: -1801.505
where: short stacking energy: -797.295
Base-Backbone interact. energy: -0.663
local terms energy: -811.329832
where:
bonds (distance) C4'-P energy: -149.033
bonds (distance) P-C4' energy: -139.517
flat angles C4'-P-C4' energy: -179.445
flat angles P-C4'-P energy: -108.984
tors. eta vs tors. theta energy: -234.352
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: 334
Temperature: 0.950000
Total energy: -2542.315406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.315406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.315406 (E_RNA)
where:
Base-Base interactions energy: -1773.483
where: short stacking energy: -746.728
Base-Backbone interact. energy: -3.438
local terms energy: -765.393857
where:
bonds (distance) C4'-P energy: -122.446
bonds (distance) P-C4' energy: -145.808
flat angles C4'-P-C4' energy: -176.194
flat angles P-C4'-P energy: -109.880
tors. eta vs tors. theta energy: -211.068
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: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2499.134245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.134245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.134245 (E_RNA)
where:
Base-Base interactions energy: -1698.773
where: short stacking energy: -750.646
Base-Backbone interact. energy: -4.769
local terms energy: -795.592469
where:
bonds (distance) C4'-P energy: -144.727
bonds (distance) P-C4' energy: -148.562
flat angles C4'-P-C4' energy: -157.868
flat angles P-C4'-P energy: -120.330
tors. eta vs tors. theta energy: -224.106
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: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2353.618117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.618117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.618117 (E_RNA)
where:
Base-Base interactions energy: -1633.068
where: short stacking energy: -683.282
Base-Backbone interact. energy: 0.020
local terms energy: -720.570219
where:
bonds (distance) C4'-P energy: -118.667
bonds (distance) P-C4' energy: -148.937
flat angles C4'-P-C4' energy: -158.302
flat angles P-C4'-P energy: -97.071
tors. eta vs tors. theta energy: -197.593
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: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2284.298360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.298360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.298360 (E_RNA)
where:
Base-Base interactions energy: -1588.703
where: short stacking energy: -674.793
Base-Backbone interact. energy: -1.482
local terms energy: -694.113335
where:
bonds (distance) C4'-P energy: -125.559
bonds (distance) P-C4' energy: -119.936
flat angles C4'-P-C4' energy: -161.943
flat angles P-C4'-P energy: -108.206
tors. eta vs tors. theta energy: -178.470
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: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1909.245664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.245664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.245664 (E_RNA)
where:
Base-Base interactions energy: -1274.786
where: short stacking energy: -566.322
Base-Backbone interact. energy: -3.047
local terms energy: -631.412468
where:
bonds (distance) C4'-P energy: -116.929
bonds (distance) P-C4' energy: -136.165
flat angles C4'-P-C4' energy: -147.502
flat angles P-C4'-P energy: -72.817
tors. eta vs tors. theta energy: -157.999
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: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1675.329458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.329458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.329458 (E_RNA)
where:
Base-Base interactions energy: -1117.041
where: short stacking energy: -481.482
Base-Backbone interact. energy: -2.132
local terms energy: -556.156325
where:
bonds (distance) C4'-P energy: -112.182
bonds (distance) P-C4' energy: -132.166
flat angles C4'-P-C4' energy: -132.501
flat angles P-C4'-P energy: -78.531
tors. eta vs tors. theta energy: -100.776
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: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1363.296879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.296879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.296879 (E_RNA)
where:
Base-Base interactions energy: -826.702
where: short stacking energy: -385.059
Base-Backbone interact. energy: -1.597
local terms energy: -534.998479
where:
bonds (distance) C4'-P energy: -107.947
bonds (distance) P-C4' energy: -128.531
flat angles C4'-P-C4' energy: -123.236
flat angles P-C4'-P energy: -89.268
tors. eta vs tors. theta energy: -86.017
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: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1214.443237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.443237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.443237 (E_RNA)
where:
Base-Base interactions energy: -755.767
where: short stacking energy: -366.245
Base-Backbone interact. energy: 1.833
local terms energy: -460.509322
where:
bonds (distance) C4'-P energy: -108.397
bonds (distance) P-C4' energy: -126.053
flat angles C4'-P-C4' energy: -115.137
flat angles P-C4'-P energy: -66.826
tors. eta vs tors. theta energy: -44.096
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: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -746.457930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.457930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.457930 (E_RNA)
where:
Base-Base interactions energy: -352.190
where: short stacking energy: -189.344
Base-Backbone interact. energy: 4.808
local terms energy: -399.075659
where:
bonds (distance) C4'-P energy: -122.723
bonds (distance) P-C4' energy: -121.039
flat angles C4'-P-C4' energy: -94.141
flat angles P-C4'-P energy: -51.198
tors. eta vs tors. theta energy: -9.973
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: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2607.503143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.503143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.503143 (E_RNA)
where:
Base-Base interactions energy: -1794.158
where: short stacking energy: -801.780
Base-Backbone interact. energy: -5.182
local terms energy: -808.163008
where:
bonds (distance) C4'-P energy: -139.587
bonds (distance) P-C4' energy: -159.562
flat angles C4'-P-C4' energy: -161.416
flat angles P-C4'-P energy: -109.904
tors. eta vs tors. theta energy: -237.694
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: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2544.462971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.462971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.462971 (E_RNA)
where:
Base-Base interactions energy: -1769.386
where: short stacking energy: -795.883
Base-Backbone interact. energy: -3.255
local terms energy: -771.821447
where:
bonds (distance) C4'-P energy: -122.473
bonds (distance) P-C4' energy: -150.323
flat angles C4'-P-C4' energy: -161.299
flat angles P-C4'-P energy: -101.340
tors. eta vs tors. theta energy: -236.386
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2484.105077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.105077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.105077 (E_RNA)
where:
Base-Base interactions energy: -1754.020
where: short stacking energy: -720.907
Base-Backbone interact. energy: -0.367
local terms energy: -729.718501
where:
bonds (distance) C4'-P energy: -133.537
bonds (distance) P-C4' energy: -135.150
flat angles C4'-P-C4' energy: -159.670
flat angles P-C4'-P energy: -94.241
tors. eta vs tors. theta energy: -207.120
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: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2401.498055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.498055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.498055 (E_RNA)
where:
Base-Base interactions energy: -1677.743
where: short stacking energy: -714.346
Base-Backbone interact. energy: -3.981
local terms energy: -719.774121
where:
bonds (distance) C4'-P energy: -135.614
bonds (distance) P-C4' energy: -137.743
flat angles C4'-P-C4' energy: -151.764
flat angles P-C4'-P energy: -89.337
tors. eta vs tors. theta energy: -205.316
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: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2244.280075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.280075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.280075 (E_RNA)
where:
Base-Base interactions energy: -1586.413
where: short stacking energy: -664.230
Base-Backbone interact. energy: -0.032
local terms energy: -657.834708
where:
bonds (distance) C4'-P energy: -124.878
bonds (distance) P-C4' energy: -120.786
flat angles C4'-P-C4' energy: -138.552
flat angles P-C4'-P energy: -94.258
tors. eta vs tors. theta energy: -179.361
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: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1946.438006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.438006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.438006 (E_RNA)
where:
Base-Base interactions energy: -1281.146
where: short stacking energy: -590.511
Base-Backbone interact. energy: 1.302
local terms energy: -666.594641
where:
bonds (distance) C4'-P energy: -137.964
bonds (distance) P-C4' energy: -120.412
flat angles C4'-P-C4' energy: -147.232
flat angles P-C4'-P energy: -85.428
tors. eta vs tors. theta energy: -175.559
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: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1697.513179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.513179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.513179 (E_RNA)
where:
Base-Base interactions energy: -1114.075
where: short stacking energy: -493.654
Base-Backbone interact. energy: 0.325
local terms energy: -583.763499
where:
bonds (distance) C4'-P energy: -115.037
bonds (distance) P-C4' energy: -121.759
flat angles C4'-P-C4' energy: -143.053
flat angles P-C4'-P energy: -87.929
tors. eta vs tors. theta energy: -115.986
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: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1383.193842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.193842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.193842 (E_RNA)
where:
Base-Base interactions energy: -832.688
where: short stacking energy: -386.810
Base-Backbone interact. energy: -3.728
local terms energy: -546.777983
where:
bonds (distance) C4'-P energy: -108.413
bonds (distance) P-C4' energy: -127.271
flat angles C4'-P-C4' energy: -133.513
flat angles P-C4'-P energy: -93.276
tors. eta vs tors. theta energy: -84.304
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: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1235.438043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.438043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.438043 (E_RNA)
where:
Base-Base interactions energy: -769.946
where: short stacking energy: -358.379
Base-Backbone interact. energy: -5.258
local terms energy: -460.233314
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -131.524
flat angles C4'-P-C4' energy: -106.404
flat angles P-C4'-P energy: -69.714
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: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -713.160151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.160151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.160151 (E_RNA)
where:
Base-Base interactions energy: -340.528
where: short stacking energy: -196.206
Base-Backbone interact. energy: -0.911
local terms energy: -371.721020
where:
bonds (distance) C4'-P energy: -110.895
bonds (distance) P-C4' energy: -109.726
flat angles C4'-P-C4' energy: -114.141
flat angles P-C4'-P energy: -51.558
tors. eta vs tors. theta energy: 14.599
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: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2587.487855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.487855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.487855 (E_RNA)
where:
Base-Base interactions energy: -1764.633
where: short stacking energy: -792.863
Base-Backbone interact. energy: -1.404
local terms energy: -821.450446
where:
bonds (distance) C4'-P energy: -153.903
bonds (distance) P-C4' energy: -157.819
flat angles C4'-P-C4' energy: -168.553
flat angles P-C4'-P energy: -105.503
tors. eta vs tors. theta energy: -235.672
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: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2588.449844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.449844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.449844 (E_RNA)
where:
Base-Base interactions energy: -1781.680
where: short stacking energy: -802.012
Base-Backbone interact. energy: -5.252
local terms energy: -801.517446
where:
bonds (distance) C4'-P energy: -138.772
bonds (distance) P-C4' energy: -145.824
flat angles C4'-P-C4' energy: -174.387
flat angles P-C4'-P energy: -103.777
tors. eta vs tors. theta energy: -238.758
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: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2482.484732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.484732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.484732 (E_RNA)
where:
Base-Base interactions energy: -1722.072
where: short stacking energy: -716.420
Base-Backbone interact. energy: 6.574
local terms energy: -766.987104
where:
bonds (distance) C4'-P energy: -137.103
bonds (distance) P-C4' energy: -150.402
flat angles C4'-P-C4' energy: -161.056
flat angles P-C4'-P energy: -102.947
tors. eta vs tors. theta energy: -215.479
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: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2366.523103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.523103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.523103 (E_RNA)
where:
Base-Base interactions energy: -1660.511
where: short stacking energy: -684.138
Base-Backbone interact. energy: -4.176
local terms energy: -701.836119
where:
bonds (distance) C4'-P energy: -130.125
bonds (distance) P-C4' energy: -134.313
flat angles C4'-P-C4' energy: -144.478
flat angles P-C4'-P energy: -94.000
tors. eta vs tors. theta energy: -198.921
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: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2246.660804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.660804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.660804 (E_RNA)
where:
Base-Base interactions energy: -1553.715
where: short stacking energy: -652.520
Base-Backbone interact. energy: -2.821
local terms energy: -690.124530
where:
bonds (distance) C4'-P energy: -116.520
bonds (distance) P-C4' energy: -131.421
flat angles C4'-P-C4' energy: -148.949
flat angles P-C4'-P energy: -111.042
tors. eta vs tors. theta energy: -182.193
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: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1938.802204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.802204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.802204 (E_RNA)
where:
Base-Base interactions energy: -1254.640
where: short stacking energy: -601.123
Base-Backbone interact. energy: -3.875
local terms energy: -680.287153
where:
bonds (distance) C4'-P energy: -137.792
bonds (distance) P-C4' energy: -122.038
flat angles C4'-P-C4' energy: -136.754
flat angles P-C4'-P energy: -104.031
tors. eta vs tors. theta energy: -179.673
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: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1706.876238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.876238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.876238 (E_RNA)
where:
Base-Base interactions energy: -1144.394
where: short stacking energy: -501.880
Base-Backbone interact. energy: 6.415
local terms energy: -568.897694
where:
bonds (distance) C4'-P energy: -126.543
bonds (distance) P-C4' energy: -113.147
flat angles C4'-P-C4' energy: -138.019
flat angles P-C4'-P energy: -84.418
tors. eta vs tors. theta energy: -106.771
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: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1347.421034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.421034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.421034 (E_RNA)
where:
Base-Base interactions energy: -852.615
where: short stacking energy: -386.068
Base-Backbone interact. energy: -3.667
local terms energy: -491.139692
where:
bonds (distance) C4'-P energy: -104.667
bonds (distance) P-C4' energy: -121.669
flat angles C4'-P-C4' energy: -122.465
flat angles P-C4'-P energy: -78.072
tors. eta vs tors. theta energy: -64.267
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: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1272.069333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.069333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.069333 (E_RNA)
where:
Base-Base interactions energy: -791.970
where: short stacking energy: -366.614
Base-Backbone interact. energy: 4.098
local terms energy: -484.197703
where:
bonds (distance) C4'-P energy: -105.428
bonds (distance) P-C4' energy: -121.812
flat angles C4'-P-C4' energy: -119.289
flat angles P-C4'-P energy: -69.349
tors. eta vs tors. theta energy: -68.319
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: 336
Temperature: 1.350000
Total energy: -734.360535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.360535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.360535 (E_RNA)
where:
Base-Base interactions energy: -312.903
where: short stacking energy: -178.330
Base-Backbone interact. energy: 9.121
local terms energy: -430.578673
where:
bonds (distance) C4'-P energy: -126.481
bonds (distance) P-C4' energy: -123.374
flat angles C4'-P-C4' energy: -115.204
flat angles P-C4'-P energy: -74.144
tors. eta vs tors. theta energy: 8.625
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: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2628.127917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.127917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.127917 (E_RNA)
where:
Base-Base interactions energy: -1790.430
where: short stacking energy: -778.326
Base-Backbone interact. energy: -2.624
local terms energy: -835.074025
where:
bonds (distance) C4'-P energy: -144.134
bonds (distance) P-C4' energy: -155.725
flat angles C4'-P-C4' energy: -175.688
flat angles P-C4'-P energy: -121.088
tors. eta vs tors. theta energy: -238.440
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: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2576.996164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.996164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.996164 (E_RNA)
where:
Base-Base interactions energy: -1768.964
where: short stacking energy: -777.304
Base-Backbone interact. energy: -5.118
local terms energy: -802.914264
where:
bonds (distance) C4'-P energy: -149.791
bonds (distance) P-C4' energy: -148.629
flat angles C4'-P-C4' energy: -165.077
flat angles P-C4'-P energy: -109.261
tors. eta vs tors. theta energy: -230.156
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: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2472.127715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.127715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.127715 (E_RNA)
where:
Base-Base interactions energy: -1741.426
where: short stacking energy: -725.006
Base-Backbone interact. energy: 1.958
local terms energy: -732.660362
where:
bonds (distance) C4'-P energy: -118.662
bonds (distance) P-C4' energy: -144.251
flat angles C4'-P-C4' energy: -164.427
flat angles P-C4'-P energy: -96.606
tors. eta vs tors. theta energy: -208.714
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: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2381.682398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.682398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.682398 (E_RNA)
where:
Base-Base interactions energy: -1657.565
where: short stacking energy: -684.087
Base-Backbone interact. energy: 1.276
local terms energy: -725.394092
where:
bonds (distance) C4'-P energy: -131.272
bonds (distance) P-C4' energy: -130.821
flat angles C4'-P-C4' energy: -161.022
flat angles P-C4'-P energy: -104.236
tors. eta vs tors. theta energy: -198.044
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: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2270.337423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.337423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.337423 (E_RNA)
where:
Base-Base interactions energy: -1566.196
where: short stacking energy: -660.987
Base-Backbone interact. energy: -2.166
local terms energy: -701.975670
where:
bonds (distance) C4'-P energy: -126.522
bonds (distance) P-C4' energy: -125.408
flat angles C4'-P-C4' energy: -149.821
flat angles P-C4'-P energy: -106.575
tors. eta vs tors. theta energy: -193.649
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: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1786.294601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.294601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.294601 (E_RNA)
where:
Base-Base interactions energy: -1192.268
where: short stacking energy: -525.562
Base-Backbone interact. energy: 0.651
local terms energy: -594.677205
where:
bonds (distance) C4'-P energy: -112.264
bonds (distance) P-C4' energy: -127.271
flat angles C4'-P-C4' energy: -140.995
flat angles P-C4'-P energy: -78.409
tors. eta vs tors. theta energy: -135.739
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: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1811.989989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.989989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.989989 (E_RNA)
where:
Base-Base interactions energy: -1217.047
where: short stacking energy: -550.414
Base-Backbone interact. energy: 2.968
local terms energy: -597.910807
where:
bonds (distance) C4'-P energy: -123.680
bonds (distance) P-C4' energy: -120.476
flat angles C4'-P-C4' energy: -132.162
flat angles P-C4'-P energy: -84.486
tors. eta vs tors. theta energy: -137.107
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: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1286.674526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.674526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.674526 (E_RNA)
where:
Base-Base interactions energy: -778.594
where: short stacking energy: -371.753
Base-Backbone interact. energy: 2.764
local terms energy: -510.844399
where:
bonds (distance) C4'-P energy: -124.736
bonds (distance) P-C4' energy: -134.219
flat angles C4'-P-C4' energy: -114.445
flat angles P-C4'-P energy: -80.040
tors. eta vs tors. theta energy: -57.403
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: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1254.615420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.615420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.615420 (E_RNA)
where:
Base-Base interactions energy: -757.737
where: short stacking energy: -363.431
Base-Backbone interact. energy: -3.717
local terms energy: -493.161169
where:
bonds (distance) C4'-P energy: -136.336
bonds (distance) P-C4' energy: -106.753
flat angles C4'-P-C4' energy: -121.954
flat angles P-C4'-P energy: -67.548
tors. eta vs tors. theta energy: -60.571
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: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -773.374194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.374194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.374194 (E_RNA)
where:
Base-Base interactions energy: -359.741
where: short stacking energy: -218.321
Base-Backbone interact. energy: -1.462
local terms energy: -412.171767
where:
bonds (distance) C4'-P energy: -107.702
bonds (distance) P-C4' energy: -122.381
flat angles C4'-P-C4' energy: -103.271
flat angles P-C4'-P energy: -74.679
tors. eta vs tors. theta energy: -4.138
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: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2624.226553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.226553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.226553 (E_RNA)
where:
Base-Base interactions energy: -1790.875
where: short stacking energy: -780.653
Base-Backbone interact. energy: 0.679
local terms energy: -834.030848
where:
bonds (distance) C4'-P energy: -141.124
bonds (distance) P-C4' energy: -151.615
flat angles C4'-P-C4' energy: -179.756
flat angles P-C4'-P energy: -120.419
tors. eta vs tors. theta energy: -241.118
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: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2554.390481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.390481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.390481 (E_RNA)
where:
Base-Base interactions energy: -1764.252
where: short stacking energy: -755.632
Base-Backbone interact. energy: -2.177
local terms energy: -787.961454
where:
bonds (distance) C4'-P energy: -134.647
bonds (distance) P-C4' energy: -155.102
flat angles C4'-P-C4' energy: -165.138
flat angles P-C4'-P energy: -104.966
tors. eta vs tors. theta energy: -228.108
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: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2505.006429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.006429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.006429 (E_RNA)
where:
Base-Base interactions energy: -1739.982
where: short stacking energy: -727.246
Base-Backbone interact. energy: -7.211
local terms energy: -757.813241
where:
bonds (distance) C4'-P energy: -147.435
bonds (distance) P-C4' energy: -137.489
flat angles C4'-P-C4' energy: -159.507
flat angles P-C4'-P energy: -100.492
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: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2372.643883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.643883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.643883 (E_RNA)
where:
Base-Base interactions energy: -1659.611
where: short stacking energy: -691.373
Base-Backbone interact. energy: 0.785
local terms energy: -713.816972
where:
bonds (distance) C4'-P energy: -126.314
bonds (distance) P-C4' energy: -135.893
flat angles C4'-P-C4' energy: -157.573
flat angles P-C4'-P energy: -101.710
tors. eta vs tors. theta energy: -192.326
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: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2260.193970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.193970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.193970 (E_RNA)
where:
Base-Base interactions energy: -1568.795
where: short stacking energy: -658.065
Base-Backbone interact. energy: -3.124
local terms energy: -688.274687
where:
bonds (distance) C4'-P energy: -126.095
bonds (distance) P-C4' energy: -129.304
flat angles C4'-P-C4' energy: -155.159
flat angles P-C4'-P energy: -87.030
tors. eta vs tors. theta energy: -190.687
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: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1752.168975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.168975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.168975 (E_RNA)
where:
Base-Base interactions energy: -1185.753
where: short stacking energy: -524.876
Base-Backbone interact. energy: -5.071
local terms energy: -561.345177
where:
bonds (distance) C4'-P energy: -119.514
bonds (distance) P-C4' energy: -118.367
flat angles C4'-P-C4' energy: -137.907
flat angles P-C4'-P energy: -74.663
tors. eta vs tors. theta energy: -110.895
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: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1877.941929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.941929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.941929 (E_RNA)
where:
Base-Base interactions energy: -1286.700
where: short stacking energy: -578.663
Base-Backbone interact. energy: 0.803
local terms energy: -592.045062
where:
bonds (distance) C4'-P energy: -113.625
bonds (distance) P-C4' energy: -122.193
flat angles C4'-P-C4' energy: -138.904
flat angles P-C4'-P energy: -56.929
tors. eta vs tors. theta energy: -160.394
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: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1307.275090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.275090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.275090 (E_RNA)
where:
Base-Base interactions energy: -798.321
where: short stacking energy: -402.873
Base-Backbone interact. energy: -0.873
local terms energy: -508.081365
where:
bonds (distance) C4'-P energy: -130.021
bonds (distance) P-C4' energy: -123.915
flat angles C4'-P-C4' energy: -117.987
flat angles P-C4'-P energy: -69.064
tors. eta vs tors. theta energy: -67.095
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: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1265.930053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.930053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.930053 (E_RNA)
where:
Base-Base interactions energy: -794.879
where: short stacking energy: -383.022
Base-Backbone interact. energy: -1.644
local terms energy: -469.407346
where:
bonds (distance) C4'-P energy: -100.463
bonds (distance) P-C4' energy: -102.134
flat angles C4'-P-C4' energy: -135.532
flat angles P-C4'-P energy: -63.898
tors. eta vs tors. theta energy: -67.380
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: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -766.222831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.222831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.222831 (E_RNA)
where:
Base-Base interactions energy: -354.048
where: short stacking energy: -218.014
Base-Backbone interact. energy: 5.805
local terms energy: -417.980206
where:
bonds (distance) C4'-P energy: -107.296
bonds (distance) P-C4' energy: -127.077
flat angles C4'-P-C4' energy: -96.680
flat angles P-C4'-P energy: -79.048
tors. eta vs tors. theta energy: -7.879
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: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2601.150643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.150643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.150643 (E_RNA)
where:
Base-Base interactions energy: -1784.236
where: short stacking energy: -778.209
Base-Backbone interact. energy: -2.287
local terms energy: -814.627765
where:
bonds (distance) C4'-P energy: -133.738
bonds (distance) P-C4' energy: -160.436
flat angles C4'-P-C4' energy: -184.099
flat angles P-C4'-P energy: -107.141
tors. eta vs tors. theta energy: -229.214
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: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2556.986112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.986112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.986112 (E_RNA)
where:
Base-Base interactions energy: -1779.119
where: short stacking energy: -738.594
Base-Backbone interact. energy: -3.083
local terms energy: -774.783974
where:
bonds (distance) C4'-P energy: -151.361
bonds (distance) P-C4' energy: -153.979
flat angles C4'-P-C4' energy: -147.599
flat angles P-C4'-P energy: -103.011
tors. eta vs tors. theta energy: -218.835
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: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2523.207359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.207359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.207359 (E_RNA)
where:
Base-Base interactions energy: -1732.398
where: short stacking energy: -767.415
Base-Backbone interact. energy: -3.038
local terms energy: -787.770972
where:
bonds (distance) C4'-P energy: -123.173
bonds (distance) P-C4' energy: -141.721
flat angles C4'-P-C4' energy: -175.470
flat angles P-C4'-P energy: -111.386
tors. eta vs tors. theta energy: -236.021
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: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2440.866767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.866767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.866767 (E_RNA)
where:
Base-Base interactions energy: -1709.249
where: short stacking energy: -711.915
Base-Backbone interact. energy: 1.393
local terms energy: -733.010757
where:
bonds (distance) C4'-P energy: -146.134
bonds (distance) P-C4' energy: -134.483
flat angles C4'-P-C4' energy: -157.086
flat angles P-C4'-P energy: -97.841
tors. eta vs tors. theta energy: -197.467
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: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2251.072757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.072757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.072757 (E_RNA)
where:
Base-Base interactions energy: -1550.106
where: short stacking energy: -663.507
Base-Backbone interact. energy: -4.370
local terms energy: -696.596691
where:
bonds (distance) C4'-P energy: -148.785
bonds (distance) P-C4' energy: -129.425
flat angles C4'-P-C4' energy: -145.979
flat angles P-C4'-P energy: -92.681
tors. eta vs tors. theta energy: -179.727
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: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1913.903966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.903966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.903966 (E_RNA)
where:
Base-Base interactions energy: -1225.107
where: short stacking energy: -573.509
Base-Backbone interact. energy: -3.203
local terms energy: -685.593412
where:
bonds (distance) C4'-P energy: -127.659
bonds (distance) P-C4' energy: -149.825
flat angles C4'-P-C4' energy: -158.989
flat angles P-C4'-P energy: -93.519
tors. eta vs tors. theta energy: -155.602
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: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1694.923021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.923021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.923021 (E_RNA)
where:
Base-Base interactions energy: -1139.455
where: short stacking energy: -491.600
Base-Backbone interact. energy: 0.196
local terms energy: -555.663940
where:
bonds (distance) C4'-P energy: -132.706
bonds (distance) P-C4' energy: -117.933
flat angles C4'-P-C4' energy: -133.133
flat angles P-C4'-P energy: -73.611
tors. eta vs tors. theta energy: -98.281
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: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1311.630534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.630534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.630534 (E_RNA)
where:
Base-Base interactions energy: -819.062
where: short stacking energy: -385.531
Base-Backbone interact. energy: -2.857
local terms energy: -489.711344
where:
bonds (distance) C4'-P energy: -123.276
bonds (distance) P-C4' energy: -119.542
flat angles C4'-P-C4' energy: -115.915
flat angles P-C4'-P energy: -75.146
tors. eta vs tors. theta energy: -55.832
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: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1277.545722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.545722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.545722 (E_RNA)
where:
Base-Base interactions energy: -821.481
where: short stacking energy: -368.316
Base-Backbone interact. energy: -0.644
local terms energy: -455.421131
where:
bonds (distance) C4'-P energy: -121.065
bonds (distance) P-C4' energy: -104.457
flat angles C4'-P-C4' energy: -97.028
flat angles P-C4'-P energy: -70.761
tors. eta vs tors. theta energy: -62.110
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: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -742.057974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.057974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.057974 (E_RNA)
where:
Base-Base interactions energy: -366.118
where: short stacking energy: -244.290
Base-Backbone interact. energy: 2.050
local terms energy: -377.989442
where:
bonds (distance) C4'-P energy: -107.042
bonds (distance) P-C4' energy: -112.396
flat angles C4'-P-C4' energy: -108.016
flat angles P-C4'-P energy: -48.082
tors. eta vs tors. theta energy: -2.453
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: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2598.978482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.978482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.978482 (E_RNA)
where:
Base-Base interactions energy: -1855.348
where: short stacking energy: -750.269
Base-Backbone interact. energy: -1.451
local terms energy: -742.179133
where:
bonds (distance) C4'-P energy: -126.064
bonds (distance) P-C4' energy: -141.281
flat angles C4'-P-C4' energy: -152.907
flat angles P-C4'-P energy: -111.423
tors. eta vs tors. theta energy: -210.504
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: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2522.950024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.950024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.950024 (E_RNA)
where:
Base-Base interactions energy: -1719.735
where: short stacking energy: -752.572
Base-Backbone interact. energy: -4.052
local terms energy: -799.163218
where:
bonds (distance) C4'-P energy: -151.334
bonds (distance) P-C4' energy: -145.355
flat angles C4'-P-C4' energy: -167.752
flat angles P-C4'-P energy: -112.314
tors. eta vs tors. theta energy: -222.408
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: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2451.407539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.407539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.407539 (E_RNA)
where:
Base-Base interactions energy: -1707.082
where: short stacking energy: -744.572
Base-Backbone interact. energy: -0.317
local terms energy: -744.008253
where:
bonds (distance) C4'-P energy: -132.189
bonds (distance) P-C4' energy: -148.606
flat angles C4'-P-C4' energy: -157.187
flat angles P-C4'-P energy: -104.472
tors. eta vs tors. theta energy: -201.555
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: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2410.334884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.334884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.334884 (E_RNA)
where:
Base-Base interactions energy: -1643.994
where: short stacking energy: -728.721
Base-Backbone interact. energy: -3.907
local terms energy: -762.434192
where:
bonds (distance) C4'-P energy: -138.435
bonds (distance) P-C4' energy: -144.425
flat angles C4'-P-C4' energy: -159.365
flat angles P-C4'-P energy: -103.897
tors. eta vs tors. theta energy: -216.312
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: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2287.513669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.513669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.513669 (E_RNA)
where:
Base-Base interactions energy: -1592.471
where: short stacking energy: -672.903
Base-Backbone interact. energy: -0.967
local terms energy: -694.075741
where:
bonds (distance) C4'-P energy: -126.393
bonds (distance) P-C4' energy: -124.165
flat angles C4'-P-C4' energy: -158.485
flat angles P-C4'-P energy: -90.804
tors. eta vs tors. theta energy: -194.229
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: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1891.017402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.017402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.017402 (E_RNA)
where:
Base-Base interactions energy: -1266.147
where: short stacking energy: -581.864
Base-Backbone interact. energy: -0.997
local terms energy: -623.873336
where:
bonds (distance) C4'-P energy: -110.047
bonds (distance) P-C4' energy: -114.192
flat angles C4'-P-C4' energy: -150.224
flat angles P-C4'-P energy: -94.304
tors. eta vs tors. theta energy: -155.106
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: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1737.588014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.588014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.588014 (E_RNA)
where:
Base-Base interactions energy: -1178.589
where: short stacking energy: -521.199
Base-Backbone interact. energy: -3.268
local terms energy: -555.730894
where:
bonds (distance) C4'-P energy: -110.752
bonds (distance) P-C4' energy: -135.529
flat angles C4'-P-C4' energy: -118.384
flat angles P-C4'-P energy: -72.120
tors. eta vs tors. theta energy: -118.946
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: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1366.952109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.952109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.952109 (E_RNA)
where:
Base-Base interactions energy: -816.531
where: short stacking energy: -383.984
Base-Backbone interact. energy: 1.503
local terms energy: -551.924215
where:
bonds (distance) C4'-P energy: -134.980
bonds (distance) P-C4' energy: -129.831
flat angles C4'-P-C4' energy: -130.660
flat angles P-C4'-P energy: -78.858
tors. eta vs tors. theta energy: -77.595
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: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1273.859782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.859782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.859782 (E_RNA)
where:
Base-Base interactions energy: -795.485
where: short stacking energy: -360.408
Base-Backbone interact. energy: 2.860
local terms energy: -481.235085
where:
bonds (distance) C4'-P energy: -112.801
bonds (distance) P-C4' energy: -116.749
flat angles C4'-P-C4' energy: -126.236
flat angles P-C4'-P energy: -73.264
tors. eta vs tors. theta energy: -52.186
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: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -731.598909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.598909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.598909 (E_RNA)
where:
Base-Base interactions energy: -376.596
where: short stacking energy: -209.936
Base-Backbone interact. energy: -0.741
local terms energy: -354.261867
where:
bonds (distance) C4'-P energy: -105.571
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -101.882
flat angles P-C4'-P energy: -33.637
tors. eta vs tors. theta energy: 3.460
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: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2632.826451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.826451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.826451 (E_RNA)
where:
Base-Base interactions energy: -1830.574
where: short stacking energy: -750.283
Base-Backbone interact. energy: -5.072
local terms energy: -797.180378
where:
bonds (distance) C4'-P energy: -147.869
bonds (distance) P-C4' energy: -140.061
flat angles C4'-P-C4' energy: -181.737
flat angles P-C4'-P energy: -106.630
tors. eta vs tors. theta energy: -220.883
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: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2519.636221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.636221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.636221 (E_RNA)
where:
Base-Base interactions energy: -1735.339
where: short stacking energy: -773.740
Base-Backbone interact. energy: 1.761
local terms energy: -786.057941
where:
bonds (distance) C4'-P energy: -152.418
bonds (distance) P-C4' energy: -146.836
flat angles C4'-P-C4' energy: -158.532
flat angles P-C4'-P energy: -96.471
tors. eta vs tors. theta energy: -231.801
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: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2479.336445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.336445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.336445 (E_RNA)
where:
Base-Base interactions energy: -1738.829
where: short stacking energy: -737.279
Base-Backbone interact. energy: -3.047
local terms energy: -737.460749
where:
bonds (distance) C4'-P energy: -136.188
bonds (distance) P-C4' energy: -146.222
flat angles C4'-P-C4' energy: -151.063
flat angles P-C4'-P energy: -98.570
tors. eta vs tors. theta energy: -205.418
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: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2399.830791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.830791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.830791 (E_RNA)
where:
Base-Base interactions energy: -1653.275
where: short stacking energy: -716.739
Base-Backbone interact. energy: 2.285
local terms energy: -748.840674
where:
bonds (distance) C4'-P energy: -113.502
bonds (distance) P-C4' energy: -133.912
flat angles C4'-P-C4' energy: -170.164
flat angles P-C4'-P energy: -123.520
tors. eta vs tors. theta energy: -207.743
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: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2341.994824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.994824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.994824 (E_RNA)
where:
Base-Base interactions energy: -1622.659
where: short stacking energy: -700.971
Base-Backbone interact. energy: -3.193
local terms energy: -716.142254
where:
bonds (distance) C4'-P energy: -136.409
bonds (distance) P-C4' energy: -127.502
flat angles C4'-P-C4' energy: -148.053
flat angles P-C4'-P energy: -93.925
tors. eta vs tors. theta energy: -210.254
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: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1894.655869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.655869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.655869 (E_RNA)
where:
Base-Base interactions energy: -1261.115
where: short stacking energy: -574.057
Base-Backbone interact. energy: 3.890
local terms energy: -637.430584
where:
bonds (distance) C4'-P energy: -120.690
bonds (distance) P-C4' energy: -132.413
flat angles C4'-P-C4' energy: -150.483
flat angles P-C4'-P energy: -85.213
tors. eta vs tors. theta energy: -148.632
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: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1731.958339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.958339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.958339 (E_RNA)
where:
Base-Base interactions energy: -1146.501
where: short stacking energy: -467.608
Base-Backbone interact. energy: -1.958
local terms energy: -583.498936
where:
bonds (distance) C4'-P energy: -129.687
bonds (distance) P-C4' energy: -111.755
flat angles C4'-P-C4' energy: -139.871
flat angles P-C4'-P energy: -95.288
tors. eta vs tors. theta energy: -106.898
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: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1334.962786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.962786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.962786 (E_RNA)
where:
Base-Base interactions energy: -844.497
where: short stacking energy: -365.495
Base-Backbone interact. energy: -2.663
local terms energy: -487.802779
where:
bonds (distance) C4'-P energy: -113.946
bonds (distance) P-C4' energy: -114.841
flat angles C4'-P-C4' energy: -115.805
flat angles P-C4'-P energy: -84.158
tors. eta vs tors. theta energy: -59.053
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: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1194.813229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.813229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.813229 (E_RNA)
where:
Base-Base interactions energy: -718.640
where: short stacking energy: -327.534
Base-Backbone interact. energy: -0.314
local terms energy: -475.859068
where:
bonds (distance) C4'-P energy: -113.072
bonds (distance) P-C4' energy: -137.739
flat angles C4'-P-C4' energy: -106.277
flat angles P-C4'-P energy: -76.097
tors. eta vs tors. theta energy: -42.675
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: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -745.238397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.238397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.238397 (E_RNA)
where:
Base-Base interactions energy: -345.612
where: short stacking energy: -199.347
Base-Backbone interact. energy: -0.520
local terms energy: -399.105858
where:
bonds (distance) C4'-P energy: -113.827
bonds (distance) P-C4' energy: -131.536
flat angles C4'-P-C4' energy: -94.769
flat angles P-C4'-P energy: -42.373
tors. eta vs tors. theta energy: -16.601
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: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2625.467974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.467974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.467974 (E_RNA)
where:
Base-Base interactions energy: -1823.417
where: short stacking energy: -796.647
Base-Backbone interact. energy: -6.047
local terms energy: -796.003278
where:
bonds (distance) C4'-P energy: -132.770
bonds (distance) P-C4' energy: -150.715
flat angles C4'-P-C4' energy: -168.738
flat angles P-C4'-P energy: -110.587
tors. eta vs tors. theta energy: -233.193
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: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2522.056252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.056252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.056252 (E_RNA)
where:
Base-Base interactions energy: -1738.794
where: short stacking energy: -744.119
Base-Backbone interact. energy: -1.984
local terms energy: -781.277873
where:
bonds (distance) C4'-P energy: -144.107
bonds (distance) P-C4' energy: -141.117
flat angles C4'-P-C4' energy: -173.597
flat angles P-C4'-P energy: -103.946
tors. eta vs tors. theta energy: -218.512
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: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2443.400348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.400348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.400348 (E_RNA)
where:
Base-Base interactions energy: -1707.438
where: short stacking energy: -705.679
Base-Backbone interact. energy: 1.778
local terms energy: -737.739546
where:
bonds (distance) C4'-P energy: -145.922
bonds (distance) P-C4' energy: -132.073
flat angles C4'-P-C4' energy: -149.777
flat angles P-C4'-P energy: -106.795
tors. eta vs tors. theta energy: -203.173
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: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2399.012131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.012131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.012131 (E_RNA)
where:
Base-Base interactions energy: -1650.015
where: short stacking energy: -713.463
Base-Backbone interact. energy: -0.653
local terms energy: -748.344477
where:
bonds (distance) C4'-P energy: -138.507
bonds (distance) P-C4' energy: -129.061
flat angles C4'-P-C4' energy: -157.227
flat angles P-C4'-P energy: -104.566
tors. eta vs tors. theta energy: -218.984
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: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2295.753544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.753544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.753544 (E_RNA)
where:
Base-Base interactions energy: -1585.278
where: short stacking energy: -669.140
Base-Backbone interact. energy: -2.141
local terms energy: -708.334351
where:
bonds (distance) C4'-P energy: -114.943
bonds (distance) P-C4' energy: -131.114
flat angles C4'-P-C4' energy: -160.406
flat angles P-C4'-P energy: -102.377
tors. eta vs tors. theta energy: -199.494
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: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1849.079595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.079595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.079595 (E_RNA)
where:
Base-Base interactions energy: -1207.551
where: short stacking energy: -539.666
Base-Backbone interact. energy: -3.453
local terms energy: -638.075325
where:
bonds (distance) C4'-P energy: -116.248
bonds (distance) P-C4' energy: -127.305
flat angles C4'-P-C4' energy: -142.430
flat angles P-C4'-P energy: -85.310
tors. eta vs tors. theta energy: -166.783
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: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1775.077947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.077947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.077947 (E_RNA)
where:
Base-Base interactions energy: -1162.221
where: short stacking energy: -490.400
Base-Backbone interact. energy: -5.854
local terms energy: -607.002871
where:
bonds (distance) C4'-P energy: -123.125
bonds (distance) P-C4' energy: -115.063
flat angles C4'-P-C4' energy: -140.427
flat angles P-C4'-P energy: -96.624
tors. eta vs tors. theta energy: -131.764
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: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1399.806552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.806552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.806552 (E_RNA)
where:
Base-Base interactions energy: -883.947
where: short stacking energy: -406.598
Base-Backbone interact. energy: -4.107
local terms energy: -511.752092
where:
bonds (distance) C4'-P energy: -101.689
bonds (distance) P-C4' energy: -110.375
flat angles C4'-P-C4' energy: -136.760
flat angles P-C4'-P energy: -79.393
tors. eta vs tors. theta energy: -83.535
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: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1215.037085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.037085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.037085 (E_RNA)
where:
Base-Base interactions energy: -762.769
where: short stacking energy: -369.585
Base-Backbone interact. energy: 1.035
local terms energy: -453.303351
where:
bonds (distance) C4'-P energy: -90.125
bonds (distance) P-C4' energy: -125.730
flat angles C4'-P-C4' energy: -120.934
flat angles P-C4'-P energy: -69.228
tors. eta vs tors. theta energy: -47.286
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: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -779.907756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.907756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.907756 (E_RNA)
where:
Base-Base interactions energy: -416.232
where: short stacking energy: -229.159
Base-Backbone interact. energy: 1.023
local terms energy: -364.698924
where:
bonds (distance) C4'-P energy: -118.635
bonds (distance) P-C4' energy: -119.286
flat angles C4'-P-C4' energy: -89.781
flat angles P-C4'-P energy: -58.740
tors. eta vs tors. theta energy: 21.743
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: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2615.088261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.088261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.088261 (E_RNA)
where:
Base-Base interactions energy: -1804.679
where: short stacking energy: -746.116
Base-Backbone interact. energy: 1.733
local terms energy: -812.141655
where:
bonds (distance) C4'-P energy: -149.735
bonds (distance) P-C4' energy: -160.980
flat angles C4'-P-C4' energy: -166.724
flat angles P-C4'-P energy: -110.867
tors. eta vs tors. theta energy: -223.836
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: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2547.624971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.624971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.624971 (E_RNA)
where:
Base-Base interactions energy: -1775.561
where: short stacking energy: -759.465
Base-Backbone interact. energy: 0.322
local terms energy: -772.386047
where:
bonds (distance) C4'-P energy: -135.022
bonds (distance) P-C4' energy: -142.799
flat angles C4'-P-C4' energy: -157.803
flat angles P-C4'-P energy: -106.585
tors. eta vs tors. theta energy: -230.176
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: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2448.015055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.015055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.015055 (E_RNA)
where:
Base-Base interactions energy: -1700.100
where: short stacking energy: -731.617
Base-Backbone interact. energy: 0.318
local terms energy: -748.232509
where:
bonds (distance) C4'-P energy: -135.360
bonds (distance) P-C4' energy: -153.193
flat angles C4'-P-C4' energy: -155.756
flat angles P-C4'-P energy: -87.997
tors. eta vs tors. theta energy: -215.927
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: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2422.360762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.360762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.360762 (E_RNA)
where:
Base-Base interactions energy: -1656.686
where: short stacking energy: -739.627
Base-Backbone interact. energy: -3.261
local terms energy: -762.413321
where:
bonds (distance) C4'-P energy: -135.336
bonds (distance) P-C4' energy: -158.112
flat angles C4'-P-C4' energy: -146.090
flat angles P-C4'-P energy: -95.785
tors. eta vs tors. theta energy: -227.090
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: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2292.769239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.769239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.769239 (E_RNA)
where:
Base-Base interactions energy: -1563.143
where: short stacking energy: -650.372
Base-Backbone interact. energy: -2.660
local terms energy: -726.966618
where:
bonds (distance) C4'-P energy: -139.123
bonds (distance) P-C4' energy: -142.279
flat angles C4'-P-C4' energy: -134.061
flat angles P-C4'-P energy: -119.182
tors. eta vs tors. theta energy: -192.322
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: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1854.297920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.297920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.297920 (E_RNA)
where:
Base-Base interactions energy: -1210.026
where: short stacking energy: -550.677
Base-Backbone interact. energy: -0.475
local terms energy: -643.797267
where:
bonds (distance) C4'-P energy: -133.440
bonds (distance) P-C4' energy: -129.776
flat angles C4'-P-C4' energy: -133.164
flat angles P-C4'-P energy: -87.617
tors. eta vs tors. theta energy: -159.800
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: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1777.711960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.711960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.711960 (E_RNA)
where:
Base-Base interactions energy: -1198.433
where: short stacking energy: -494.892
Base-Backbone interact. energy: 7.460
local terms energy: -586.738483
where:
bonds (distance) C4'-P energy: -132.819
bonds (distance) P-C4' energy: -121.067
flat angles C4'-P-C4' energy: -122.680
flat angles P-C4'-P energy: -94.474
tors. eta vs tors. theta energy: -115.698
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: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1334.539507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.539507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.539507 (E_RNA)
where:
Base-Base interactions energy: -830.797
where: short stacking energy: -383.033
Base-Backbone interact. energy: -0.336
local terms energy: -503.406629
where:
bonds (distance) C4'-P energy: -124.197
bonds (distance) P-C4' energy: -119.316
flat angles C4'-P-C4' energy: -132.631
flat angles P-C4'-P energy: -57.989
tors. eta vs tors. theta energy: -69.274
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: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1214.988344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.988344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.988344 (E_RNA)
where:
Base-Base interactions energy: -743.028
where: short stacking energy: -355.114
Base-Backbone interact. energy: 2.720
local terms energy: -474.680753
where:
bonds (distance) C4'-P energy: -114.422
bonds (distance) P-C4' energy: -127.889
flat angles C4'-P-C4' energy: -118.173
flat angles P-C4'-P energy: -69.785
tors. eta vs tors. theta energy: -44.411
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: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -793.923016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.923016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.923016 (E_RNA)
where:
Base-Base interactions energy: -397.280
where: short stacking energy: -223.506
Base-Backbone interact. energy: -2.762
local terms energy: -393.881793
where:
bonds (distance) C4'-P energy: -124.920
bonds (distance) P-C4' energy: -124.427
flat angles C4'-P-C4' energy: -85.816
flat angles P-C4'-P energy: -60.079
tors. eta vs tors. theta energy: 1.361
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: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2617.872792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.872792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.872792 (E_RNA)
where:
Base-Base interactions energy: -1796.186
where: short stacking energy: -776.297
Base-Backbone interact. energy: -5.948
local terms energy: -815.738874
where:
bonds (distance) C4'-P energy: -148.096
bonds (distance) P-C4' energy: -145.652
flat angles C4'-P-C4' energy: -169.572
flat angles P-C4'-P energy: -112.013
tors. eta vs tors. theta energy: -240.406
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: 344
Temperature: 0.950000
Total energy: -2527.191600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.191600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.191600 (E_RNA)
where:
Base-Base interactions energy: -1743.057
where: short stacking energy: -738.169
Base-Backbone interact. energy: -1.656
local terms energy: -782.478340
where:
bonds (distance) C4'-P energy: -154.431
bonds (distance) P-C4' energy: -151.546
flat angles C4'-P-C4' energy: -146.027
flat angles P-C4'-P energy: -105.874
tors. eta vs tors. theta energy: -224.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2469.717810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.717810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.717810 (E_RNA)
where:
Base-Base interactions energy: -1688.375
where: short stacking energy: -741.204
Base-Backbone interact. energy: 3.542
local terms energy: -784.885612
where:
bonds (distance) C4'-P energy: -126.957
bonds (distance) P-C4' energy: -148.681
flat angles C4'-P-C4' energy: -160.234
flat angles P-C4'-P energy: -112.459
tors. eta vs tors. theta energy: -236.554
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: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2442.473171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.473171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.473171 (E_RNA)
where:
Base-Base interactions energy: -1689.362
where: short stacking energy: -725.654
Base-Backbone interact. energy: -2.858
local terms energy: -750.252243
where:
bonds (distance) C4'-P energy: -125.379
bonds (distance) P-C4' energy: -148.314
flat angles C4'-P-C4' energy: -156.323
flat angles P-C4'-P energy: -104.005
tors. eta vs tors. theta energy: -216.231
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: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2290.404889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.404889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.404889 (E_RNA)
where:
Base-Base interactions energy: -1587.075
where: short stacking energy: -685.110
Base-Backbone interact. energy: -2.558
local terms energy: -700.772189
where:
bonds (distance) C4'-P energy: -136.523
bonds (distance) P-C4' energy: -130.279
flat angles C4'-P-C4' energy: -151.633
flat angles P-C4'-P energy: -95.468
tors. eta vs tors. theta energy: -186.869
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: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1813.683604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.683604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.683604 (E_RNA)
where:
Base-Base interactions energy: -1179.336
where: short stacking energy: -533.605
Base-Backbone interact. energy: 2.855
local terms energy: -637.202551
where:
bonds (distance) C4'-P energy: -145.641
bonds (distance) P-C4' energy: -143.369
flat angles C4'-P-C4' energy: -126.910
flat angles P-C4'-P energy: -82.608
tors. eta vs tors. theta energy: -138.674
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1758.710402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.710402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.710402 (E_RNA)
where:
Base-Base interactions energy: -1187.014
where: short stacking energy: -506.077
Base-Backbone interact. energy: -0.810
local terms energy: -570.886291
where:
bonds (distance) C4'-P energy: -111.889
bonds (distance) P-C4' energy: -124.489
flat angles C4'-P-C4' energy: -135.955
flat angles P-C4'-P energy: -81.913
tors. eta vs tors. theta energy: -116.640
Dist. restrs. and SS energy: 0.000 (S_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: 344
Temperature: 1.250000
Total energy: -1410.857869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.857869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.857869 (E_RNA)
where:
Base-Base interactions energy: -896.238
where: short stacking energy: -398.953
Base-Backbone interact. energy: -3.154
local terms energy: -511.465319
where:
bonds (distance) C4'-P energy: -107.374
bonds (distance) P-C4' energy: -133.492
flat angles C4'-P-C4' energy: -119.228
flat angles P-C4'-P energy: -76.024
tors. eta vs tors. theta energy: -75.348
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: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1203.765965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.765965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.765965 (E_RNA)
where:
Base-Base interactions energy: -714.900
where: short stacking energy: -333.373
Base-Backbone interact. energy: -2.235
local terms energy: -486.630951
where:
bonds (distance) C4'-P energy: -127.878
bonds (distance) P-C4' energy: -116.628
flat angles C4'-P-C4' energy: -119.121
flat angles P-C4'-P energy: -75.231
tors. eta vs tors. theta energy: -47.773
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: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -861.172170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.172170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.172170 (E_RNA)
where:
Base-Base interactions energy: -465.904
where: short stacking energy: -239.402
Base-Backbone interact. energy: 0.263
local terms energy: -395.530791
where:
bonds (distance) C4'-P energy: -114.385
bonds (distance) P-C4' energy: -131.073
flat angles C4'-P-C4' energy: -97.992
flat angles P-C4'-P energy: -41.616
tors. eta vs tors. theta energy: -10.464
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: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2625.883053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.883053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.883053 (E_RNA)
where:
Base-Base interactions energy: -1810.619
where: short stacking energy: -749.816
Base-Backbone interact. energy: 1.398
local terms energy: -816.662872
where:
bonds (distance) C4'-P energy: -159.521
bonds (distance) P-C4' energy: -139.722
flat angles C4'-P-C4' energy: -168.982
flat angles P-C4'-P energy: -121.585
tors. eta vs tors. theta energy: -226.853
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: 345
Temperature: 0.950000
Total energy: -2542.068260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.068260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.068260 (E_RNA)
where:
Base-Base interactions energy: -1773.760
where: short stacking energy: -733.780
Base-Backbone interact. energy: -1.362
local terms energy: -766.946076
where:
bonds (distance) C4'-P energy: -148.687
bonds (distance) P-C4' energy: -141.711
flat angles C4'-P-C4' energy: -162.483
flat angles P-C4'-P energy: -90.843
tors. eta vs tors. theta energy: -223.221
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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2451.809630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.809630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.809630 (E_RNA)
where:
Base-Base interactions energy: -1688.816
where: short stacking energy: -717.359
Base-Backbone interact. energy: -2.203
local terms energy: -760.790896
where:
bonds (distance) C4'-P energy: -134.427
bonds (distance) P-C4' energy: -131.025
flat angles C4'-P-C4' energy: -157.991
flat angles P-C4'-P energy: -118.844
tors. eta vs tors. theta energy: -218.504
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: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2357.091459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.091459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.091459 (E_RNA)
where:
Base-Base interactions energy: -1630.346
where: short stacking energy: -675.843
Base-Backbone interact. energy: -1.358
local terms energy: -725.387408
where:
bonds (distance) C4'-P energy: -123.864
bonds (distance) P-C4' energy: -145.601
flat angles C4'-P-C4' energy: -154.993
flat angles P-C4'-P energy: -104.974
tors. eta vs tors. theta energy: -195.955
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: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2291.956612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.956612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.956612 (E_RNA)
where:
Base-Base interactions energy: -1603.676
where: short stacking energy: -683.283
Base-Backbone interact. energy: -3.140
local terms energy: -685.140912
where:
bonds (distance) C4'-P energy: -106.557
bonds (distance) P-C4' energy: -130.955
flat angles C4'-P-C4' energy: -144.538
flat angles P-C4'-P energy: -94.916
tors. eta vs tors. theta energy: -208.175
Dist. restrs. and SS energy: 0.000 (S_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: 345
Temperature: 1.150000
Total energy: -1955.269894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.269894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.269894 (E_RNA)
where:
Base-Base interactions energy: -1282.226
where: short stacking energy: -579.524
Base-Backbone interact. energy: 0.654
local terms energy: -673.697307
where:
bonds (distance) C4'-P energy: -136.391
bonds (distance) P-C4' energy: -144.343
flat angles C4'-P-C4' energy: -147.046
flat angles P-C4'-P energy: -83.957
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: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1725.343589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.343589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.343589 (E_RNA)
where:
Base-Base interactions energy: -1138.608
where: short stacking energy: -479.818
Base-Backbone interact. energy: -1.712
local terms energy: -585.023550
where:
bonds (distance) C4'-P energy: -128.289
bonds (distance) P-C4' energy: -131.243
flat angles C4'-P-C4' energy: -135.142
flat angles P-C4'-P energy: -87.955
tors. eta vs tors. theta energy: -102.395
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: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1412.816447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.816447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.816447 (E_RNA)
where:
Base-Base interactions energy: -882.496
where: short stacking energy: -375.799
Base-Backbone interact. energy: -1.572
local terms energy: -528.748862
where:
bonds (distance) C4'-P energy: -119.303
bonds (distance) P-C4' energy: -129.716
flat angles C4'-P-C4' energy: -124.121
flat angles P-C4'-P energy: -85.328
tors. eta vs tors. theta energy: -70.280
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: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1209.459940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.459940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.459940 (E_RNA)
where:
Base-Base interactions energy: -744.989
where: short stacking energy: -331.149
Base-Backbone interact. energy: -0.685
local terms energy: -463.786015
where:
bonds (distance) C4'-P energy: -117.624
bonds (distance) P-C4' energy: -126.888
flat angles C4'-P-C4' energy: -110.832
flat angles P-C4'-P energy: -54.707
tors. eta vs tors. theta energy: -53.735
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: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -991.228414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.228414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.228414 (E_RNA)
where:
Base-Base interactions energy: -580.592
where: short stacking energy: -293.561
Base-Backbone interact. energy: 3.376
local terms energy: -414.011829
where:
bonds (distance) C4'-P energy: -114.442
bonds (distance) P-C4' energy: -127.325
flat angles C4'-P-C4' energy: -96.010
flat angles P-C4'-P energy: -58.728
tors. eta vs tors. theta energy: -17.506
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: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2605.737959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.737959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.737959 (E_RNA)
where:
Base-Base interactions energy: -1810.833
where: short stacking energy: -764.925
Base-Backbone interact. energy: 0.755
local terms energy: -795.660103
where:
bonds (distance) C4'-P energy: -153.976
bonds (distance) P-C4' energy: -142.506
flat angles C4'-P-C4' energy: -162.064
flat angles P-C4'-P energy: -111.933
tors. eta vs tors. theta energy: -225.181
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: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2571.814234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.814234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.814234 (E_RNA)
where:
Base-Base interactions energy: -1788.572
where: short stacking energy: -758.077
Base-Backbone interact. energy: 1.415
local terms energy: -784.656647
where:
bonds (distance) C4'-P energy: -154.534
bonds (distance) P-C4' energy: -138.565
flat angles C4'-P-C4' energy: -165.390
flat angles P-C4'-P energy: -105.596
tors. eta vs tors. theta energy: -220.571
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: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2488.809112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.809112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.809112 (E_RNA)
where:
Base-Base interactions energy: -1703.834
where: short stacking energy: -756.854
Base-Backbone interact. energy: -2.385
local terms energy: -782.590065
where:
bonds (distance) C4'-P energy: -131.618
bonds (distance) P-C4' energy: -130.251
flat angles C4'-P-C4' energy: -171.010
flat angles P-C4'-P energy: -120.987
tors. eta vs tors. theta energy: -228.725
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: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2329.092484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.092484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.092484 (E_RNA)
where:
Base-Base interactions energy: -1605.920
where: short stacking energy: -647.964
Base-Backbone interact. energy: -2.464
local terms energy: -720.708481
where:
bonds (distance) C4'-P energy: -129.225
bonds (distance) P-C4' energy: -137.448
flat angles C4'-P-C4' energy: -154.146
flat angles P-C4'-P energy: -103.590
tors. eta vs tors. theta energy: -196.299
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: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2284.382154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.382154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.382154 (E_RNA)
where:
Base-Base interactions energy: -1570.607
where: short stacking energy: -676.018
Base-Backbone interact. energy: -0.009
local terms energy: -713.765936
where:
bonds (distance) C4'-P energy: -135.895
bonds (distance) P-C4' energy: -135.796
flat angles C4'-P-C4' energy: -134.237
flat angles P-C4'-P energy: -106.327
tors. eta vs tors. theta energy: -201.512
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: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1932.540208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.540208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.540208 (E_RNA)
where:
Base-Base interactions energy: -1282.663
where: short stacking energy: -570.429
Base-Backbone interact. energy: -0.323
local terms energy: -649.554193
where:
bonds (distance) C4'-P energy: -131.221
bonds (distance) P-C4' energy: -141.366
flat angles C4'-P-C4' energy: -141.500
flat angles P-C4'-P energy: -86.337
tors. eta vs tors. theta energy: -149.130
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: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1721.101753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.101753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.101753 (E_RNA)
where:
Base-Base interactions energy: -1109.960
where: short stacking energy: -504.574
Base-Backbone interact. energy: -1.245
local terms energy: -609.896864
where:
bonds (distance) C4'-P energy: -119.333
bonds (distance) P-C4' energy: -130.544
flat angles C4'-P-C4' energy: -141.879
flat angles P-C4'-P energy: -87.138
tors. eta vs tors. theta energy: -131.003
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: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1403.372803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.372803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.372803 (E_RNA)
where:
Base-Base interactions energy: -879.512
where: short stacking energy: -430.357
Base-Backbone interact. energy: 3.354
local terms energy: -527.214955
where:
bonds (distance) C4'-P energy: -117.615
bonds (distance) P-C4' energy: -120.854
flat angles C4'-P-C4' energy: -127.009
flat angles P-C4'-P energy: -77.299
tors. eta vs tors. theta energy: -84.437
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: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1222.540772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.540772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.540772 (E_RNA)
where:
Base-Base interactions energy: -719.244
where: short stacking energy: -325.778
Base-Backbone interact. energy: -2.491
local terms energy: -500.805524
where:
bonds (distance) C4'-P energy: -133.952
bonds (distance) P-C4' energy: -119.869
flat angles C4'-P-C4' energy: -117.474
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -50.823
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: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -928.336550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.336550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.336550 (E_RNA)
where:
Base-Base interactions energy: -496.530
where: short stacking energy: -252.387
Base-Backbone interact. energy: -1.086
local terms energy: -430.720228
where:
bonds (distance) C4'-P energy: -114.595
bonds (distance) P-C4' energy: -133.116
flat angles C4'-P-C4' energy: -112.740
flat angles P-C4'-P energy: -57.918
tors. eta vs tors. theta energy: -12.352
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: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2612.929597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.929597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.929597 (E_RNA)
where:
Base-Base interactions energy: -1808.629
where: short stacking energy: -753.556
Base-Backbone interact. energy: 1.093
local terms energy: -805.393651
where:
bonds (distance) C4'-P energy: -154.296
bonds (distance) P-C4' energy: -146.247
flat angles C4'-P-C4' energy: -169.473
flat angles P-C4'-P energy: -103.091
tors. eta vs tors. theta energy: -232.287
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: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2550.574299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.574299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.574299 (E_RNA)
where:
Base-Base interactions energy: -1754.939
where: short stacking energy: -742.306
Base-Backbone interact. energy: -1.186
local terms energy: -794.449138
where:
bonds (distance) C4'-P energy: -148.791
bonds (distance) P-C4' energy: -151.377
flat angles C4'-P-C4' energy: -165.753
flat angles P-C4'-P energy: -105.605
tors. eta vs tors. theta energy: -222.924
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: 3, replica: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2500.310970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.310970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.310970 (E_RNA)
where:
Base-Base interactions energy: -1712.766
where: short stacking energy: -752.044
Base-Backbone interact. energy: -2.749
local terms energy: -784.795754
where:
bonds (distance) C4'-P energy: -147.080
bonds (distance) P-C4' energy: -139.168
flat angles C4'-P-C4' energy: -160.124
flat angles P-C4'-P energy: -118.711
tors. eta vs tors. theta energy: -219.713
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: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2300.223074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.223074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.223074 (E_RNA)
where:
Base-Base interactions energy: -1591.084
where: short stacking energy: -647.699
Base-Backbone interact. energy: -3.290
local terms energy: -705.848646
where:
bonds (distance) C4'-P energy: -131.474
bonds (distance) P-C4' energy: -128.421
flat angles C4'-P-C4' energy: -161.255
flat angles P-C4'-P energy: -101.807
tors. eta vs tors. theta energy: -182.892
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: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2208.894257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.894257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.894257 (E_RNA)
where:
Base-Base interactions energy: -1519.871
where: short stacking energy: -686.187
Base-Backbone interact. energy: -1.702
local terms energy: -687.321504
where:
bonds (distance) C4'-P energy: -116.611
bonds (distance) P-C4' energy: -123.889
flat angles C4'-P-C4' energy: -146.621
flat angles P-C4'-P energy: -98.843
tors. eta vs tors. theta energy: -201.358
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: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1927.030201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.030201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.030201 (E_RNA)
where:
Base-Base interactions energy: -1264.210
where: short stacking energy: -601.908
Base-Backbone interact. energy: -0.229
local terms energy: -662.590877
where:
bonds (distance) C4'-P energy: -122.612
bonds (distance) P-C4' energy: -136.391
flat angles C4'-P-C4' energy: -160.093
flat angles P-C4'-P energy: -80.921
tors. eta vs tors. theta energy: -162.573
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: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1770.471425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.471425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.471425 (E_RNA)
where:
Base-Base interactions energy: -1169.965
where: short stacking energy: -493.840
Base-Backbone interact. energy: 1.139
local terms energy: -601.645246
where:
bonds (distance) C4'-P energy: -133.897
bonds (distance) P-C4' energy: -133.281
flat angles C4'-P-C4' energy: -116.815
flat angles P-C4'-P energy: -99.345
tors. eta vs tors. theta energy: -118.308
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: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1425.359879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.359879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.359879 (E_RNA)
where:
Base-Base interactions energy: -922.823
where: short stacking energy: -413.299
Base-Backbone interact. energy: 2.490
local terms energy: -505.027377
where:
bonds (distance) C4'-P energy: -120.373
bonds (distance) P-C4' energy: -129.842
flat angles C4'-P-C4' energy: -116.038
flat angles P-C4'-P energy: -64.958
tors. eta vs tors. theta energy: -73.816
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: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1231.360722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.360722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.360722 (E_RNA)
where:
Base-Base interactions energy: -749.180
where: short stacking energy: -351.673
Base-Backbone interact. energy: 11.306
local terms energy: -493.487685
where:
bonds (distance) C4'-P energy: -109.970
bonds (distance) P-C4' energy: -149.851
flat angles C4'-P-C4' energy: -114.994
flat angles P-C4'-P energy: -74.420
tors. eta vs tors. theta energy: -44.254
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: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -876.428902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.428902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.428902 (E_RNA)
where:
Base-Base interactions energy: -486.597
where: short stacking energy: -252.905
Base-Backbone interact. energy: 0.490
local terms energy: -390.321901
where:
bonds (distance) C4'-P energy: -97.983
bonds (distance) P-C4' energy: -124.002
flat angles C4'-P-C4' energy: -110.063
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -13.426
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: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2626.254243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.254243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.254243 (E_RNA)
where:
Base-Base interactions energy: -1803.437
where: short stacking energy: -769.915
Base-Backbone interact. energy: -3.262
local terms energy: -819.555480
where:
bonds (distance) C4'-P energy: -144.194
bonds (distance) P-C4' energy: -143.210
flat angles C4'-P-C4' energy: -186.024
flat angles P-C4'-P energy: -116.633
tors. eta vs tors. theta energy: -229.495
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2562.032422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.032422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.032422 (E_RNA)
where:
Base-Base interactions energy: -1767.405
where: short stacking energy: -732.537
Base-Backbone interact. energy: -3.283
local terms energy: -791.344635
where:
bonds (distance) C4'-P energy: -145.977
bonds (distance) P-C4' energy: -143.179
flat angles C4'-P-C4' energy: -181.062
flat angles P-C4'-P energy: -102.785
tors. eta vs tors. theta energy: -218.342
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: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2470.708951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.708951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.708951 (E_RNA)
where:
Base-Base interactions energy: -1696.085
where: short stacking energy: -765.970
Base-Backbone interact. energy: 1.533
local terms energy: -776.156577
where:
bonds (distance) C4'-P energy: -154.865
bonds (distance) P-C4' energy: -115.160
flat angles C4'-P-C4' energy: -162.462
flat angles P-C4'-P energy: -108.969
tors. eta vs tors. theta energy: -234.702
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: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2354.919182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.919182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.919182 (E_RNA)
where:
Base-Base interactions energy: -1636.348
where: short stacking energy: -689.035
Base-Backbone interact. energy: -2.863
local terms energy: -715.708255
where:
bonds (distance) C4'-P energy: -131.840
bonds (distance) P-C4' energy: -125.890
flat angles C4'-P-C4' energy: -151.950
flat angles P-C4'-P energy: -112.302
tors. eta vs tors. theta energy: -193.726
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: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2290.609971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.609971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.609971 (E_RNA)
where:
Base-Base interactions energy: -1574.556
where: short stacking energy: -671.753
Base-Backbone interact. energy: -1.863
local terms energy: -714.191002
where:
bonds (distance) C4'-P energy: -120.672
bonds (distance) P-C4' energy: -152.854
flat angles C4'-P-C4' energy: -150.769
flat angles P-C4'-P energy: -95.849
tors. eta vs tors. theta energy: -194.048
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: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1860.321327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.321327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.321327 (E_RNA)
where:
Base-Base interactions energy: -1253.724
where: short stacking energy: -571.600
Base-Backbone interact. energy: 7.335
local terms energy: -613.932700
where:
bonds (distance) C4'-P energy: -123.245
bonds (distance) P-C4' energy: -115.210
flat angles C4'-P-C4' energy: -151.999
flat angles P-C4'-P energy: -78.290
tors. eta vs tors. theta energy: -145.188
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: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1783.439661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.439661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.439661 (E_RNA)
where:
Base-Base interactions energy: -1185.140
where: short stacking energy: -516.752
Base-Backbone interact. energy: -1.957
local terms energy: -596.342676
where:
bonds (distance) C4'-P energy: -131.061
bonds (distance) P-C4' energy: -115.271
flat angles C4'-P-C4' energy: -135.411
flat angles P-C4'-P energy: -73.036
tors. eta vs tors. theta energy: -141.564
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: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1344.916995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.916995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.916995 (E_RNA)
where:
Base-Base interactions energy: -837.082
where: short stacking energy: -374.401
Base-Backbone interact. energy: -1.154
local terms energy: -506.680764
where:
bonds (distance) C4'-P energy: -116.570
bonds (distance) P-C4' energy: -126.957
flat angles C4'-P-C4' energy: -115.150
flat angles P-C4'-P energy: -81.702
tors. eta vs tors. theta energy: -66.302
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: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1191.637040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.637040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.637040 (E_RNA)
where:
Base-Base interactions energy: -709.287
where: short stacking energy: -306.937
Base-Backbone interact. energy: 7.883
local terms energy: -490.233030
where:
bonds (distance) C4'-P energy: -132.164
bonds (distance) P-C4' energy: -116.045
flat angles C4'-P-C4' energy: -97.908
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -65.128
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: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -795.849501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.849501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.849501 (E_RNA)
where:
Base-Base interactions energy: -381.890
where: short stacking energy: -200.765
Base-Backbone interact. energy: -1.522
local terms energy: -412.437757
where:
bonds (distance) C4'-P energy: -129.996
bonds (distance) P-C4' energy: -110.553
flat angles C4'-P-C4' energy: -111.413
flat angles P-C4'-P energy: -59.266
tors. eta vs tors. theta energy: -1.210
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: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2619.404266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.404266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.404266 (E_RNA)
where:
Base-Base interactions energy: -1811.937
where: short stacking energy: -792.252
Base-Backbone interact. energy: -2.751
local terms energy: -804.716936
where:
bonds (distance) C4'-P energy: -145.040
bonds (distance) P-C4' energy: -150.129
flat angles C4'-P-C4' energy: -166.749
flat angles P-C4'-P energy: -107.745
tors. eta vs tors. theta energy: -235.054
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: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2571.974393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.974393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.974393 (E_RNA)
where:
Base-Base interactions energy: -1790.820
where: short stacking energy: -756.740
Base-Backbone interact. energy: -4.596
local terms energy: -776.558560
where:
bonds (distance) C4'-P energy: -144.704
bonds (distance) P-C4' energy: -152.245
flat angles C4'-P-C4' energy: -148.760
flat angles P-C4'-P energy: -100.608
tors. eta vs tors. theta energy: -230.242
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: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2447.255326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.255326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.255326 (E_RNA)
where:
Base-Base interactions energy: -1702.233
where: short stacking energy: -741.589
Base-Backbone interact. energy: -2.726
local terms energy: -742.296907
where:
bonds (distance) C4'-P energy: -124.651
bonds (distance) P-C4' energy: -140.832
flat angles C4'-P-C4' energy: -164.764
flat angles P-C4'-P energy: -101.644
tors. eta vs tors. theta energy: -210.405
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: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2331.133205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.133205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.133205 (E_RNA)
where:
Base-Base interactions energy: -1582.741
where: short stacking energy: -673.218
Base-Backbone interact. energy: 0.130
local terms energy: -748.522282
where:
bonds (distance) C4'-P energy: -142.337
bonds (distance) P-C4' energy: -133.926
flat angles C4'-P-C4' energy: -159.985
flat angles P-C4'-P energy: -110.017
tors. eta vs tors. theta energy: -202.258
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: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2231.805680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.805680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.805680 (E_RNA)
where:
Base-Base interactions energy: -1538.321
where: short stacking energy: -685.872
Base-Backbone interact. energy: -3.149
local terms energy: -690.335380
where:
bonds (distance) C4'-P energy: -119.370
bonds (distance) P-C4' energy: -115.990
flat angles C4'-P-C4' energy: -146.483
flat angles P-C4'-P energy: -99.617
tors. eta vs tors. theta energy: -208.875
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: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1871.712496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.712496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.712496 (E_RNA)
where:
Base-Base interactions energy: -1220.570
where: short stacking energy: -551.898
Base-Backbone interact. energy: 0.217
local terms energy: -651.359619
where:
bonds (distance) C4'-P energy: -108.359
bonds (distance) P-C4' energy: -131.637
flat angles C4'-P-C4' energy: -153.549
flat angles P-C4'-P energy: -102.099
tors. eta vs tors. theta energy: -155.715
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: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1802.914820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.914820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.914820 (E_RNA)
where:
Base-Base interactions energy: -1220.346
where: short stacking energy: -530.869
Base-Backbone interact. energy: -0.600
local terms energy: -581.969360
where:
bonds (distance) C4'-P energy: -132.105
bonds (distance) P-C4' energy: -136.576
flat angles C4'-P-C4' energy: -119.367
flat angles P-C4'-P energy: -58.650
tors. eta vs tors. theta energy: -135.271
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1366.820016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.820016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.820016 (E_RNA)
where:
Base-Base interactions energy: -885.499
where: short stacking energy: -391.723
Base-Backbone interact. energy: -1.314
local terms energy: -480.007031
where:
bonds (distance) C4'-P energy: -106.603
bonds (distance) P-C4' energy: -120.276
flat angles C4'-P-C4' energy: -123.956
flat angles P-C4'-P energy: -60.198
tors. eta vs tors. theta energy: -68.974
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: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1288.146859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.146859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.146859 (E_RNA)
where:
Base-Base interactions energy: -790.112
where: short stacking energy: -380.137
Base-Backbone interact. energy: 0.648
local terms energy: -498.683392
where:
bonds (distance) C4'-P energy: -111.790
bonds (distance) P-C4' energy: -119.042
flat angles C4'-P-C4' energy: -129.114
flat angles P-C4'-P energy: -62.702
tors. eta vs tors. theta energy: -76.036
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: 349
Temperature: 1.350000
Total energy: -841.466515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.466515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.466515 (E_RNA)
where:
Base-Base interactions energy: -475.694
where: short stacking energy: -249.907
Base-Backbone interact. energy: -1.568
local terms energy: -364.204308
where:
bonds (distance) C4'-P energy: -88.427
bonds (distance) P-C4' energy: -90.298
flat angles C4'-P-C4' energy: -99.992
flat angles P-C4'-P energy: -67.533
tors. eta vs tors. theta energy: -17.954
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: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2598.488098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.488098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.488098 (E_RNA)
where:
Base-Base interactions energy: -1821.242
where: short stacking energy: -784.064
Base-Backbone interact. energy: -1.720
local terms energy: -775.525756
where:
bonds (distance) C4'-P energy: -130.101
bonds (distance) P-C4' energy: -136.704
flat angles C4'-P-C4' energy: -172.162
flat angles P-C4'-P energy: -116.058
tors. eta vs tors. theta energy: -220.501
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: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2586.757646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.757646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.757646 (E_RNA)
where:
Base-Base interactions energy: -1777.496
where: short stacking energy: -740.963
Base-Backbone interact. energy: -3.221
local terms energy: -806.040611
where:
bonds (distance) C4'-P energy: -142.903
bonds (distance) P-C4' energy: -158.987
flat angles C4'-P-C4' energy: -168.992
flat angles P-C4'-P energy: -111.509
tors. eta vs tors. theta energy: -223.649
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: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2482.525047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.525047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.525047 (E_RNA)
where:
Base-Base interactions energy: -1694.894
where: short stacking energy: -767.725
Base-Backbone interact. energy: -2.742
local terms energy: -784.889202
where:
bonds (distance) C4'-P energy: -142.502
bonds (distance) P-C4' energy: -131.593
flat angles C4'-P-C4' energy: -160.362
flat angles P-C4'-P energy: -119.683
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: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2316.304332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.304332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.304332 (E_RNA)
where:
Base-Base interactions energy: -1613.506
where: short stacking energy: -692.644
Base-Backbone interact. energy: -4.580
local terms energy: -698.217629
where:
bonds (distance) C4'-P energy: -127.494
bonds (distance) P-C4' energy: -118.371
flat angles C4'-P-C4' energy: -153.198
flat angles P-C4'-P energy: -107.604
tors. eta vs tors. theta energy: -191.551
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: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2220.282918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.282918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.282918 (E_RNA)
where:
Base-Base interactions energy: -1526.119
where: short stacking energy: -639.770
Base-Backbone interact. energy: 0.682
local terms energy: -694.846267
where:
bonds (distance) C4'-P energy: -130.497
bonds (distance) P-C4' energy: -125.961
flat angles C4'-P-C4' energy: -150.664
flat angles P-C4'-P energy: -82.166
tors. eta vs tors. theta energy: -205.558
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1889.273590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.273590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.273590 (E_RNA)
where:
Base-Base interactions energy: -1281.351
where: short stacking energy: -569.999
Base-Backbone interact. energy: -3.077
local terms energy: -604.845624
where:
bonds (distance) C4'-P energy: -125.367
bonds (distance) P-C4' energy: -123.005
flat angles C4'-P-C4' energy: -131.012
flat angles P-C4'-P energy: -71.528
tors. eta vs tors. theta energy: -153.934
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: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1764.865764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.865764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.865764 (E_RNA)
where:
Base-Base interactions energy: -1187.047
where: short stacking energy: -514.478
Base-Backbone interact. energy: -2.241
local terms energy: -575.577875
where:
bonds (distance) C4'-P energy: -107.016
bonds (distance) P-C4' energy: -122.117
flat angles C4'-P-C4' energy: -139.575
flat angles P-C4'-P energy: -85.213
tors. eta vs tors. theta energy: -121.658
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: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1383.601576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.601576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.601576 (E_RNA)
where:
Base-Base interactions energy: -874.520
where: short stacking energy: -418.042
Base-Backbone interact. energy: 0.802
local terms energy: -509.883761
where:
bonds (distance) C4'-P energy: -116.437
bonds (distance) P-C4' energy: -122.787
flat angles C4'-P-C4' energy: -132.056
flat angles P-C4'-P energy: -67.419
tors. eta vs tors. theta energy: -71.185
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: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1359.525392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.525392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.525392 (E_RNA)
where:
Base-Base interactions energy: -835.003
where: short stacking energy: -380.960
Base-Backbone interact. energy: -3.552
local terms energy: -520.971048
where:
bonds (distance) C4'-P energy: -126.023
bonds (distance) P-C4' energy: -134.360
flat angles C4'-P-C4' energy: -114.974
flat angles P-C4'-P energy: -70.005
tors. eta vs tors. theta energy: -75.609
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: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -780.765271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.765271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.765271 (E_RNA)
where:
Base-Base interactions energy: -356.936
where: short stacking energy: -192.095
Base-Backbone interact. energy: 0.686
local terms energy: -424.515668
where:
bonds (distance) C4'-P energy: -128.294
bonds (distance) P-C4' energy: -130.443
flat angles C4'-P-C4' energy: -99.221
flat angles P-C4'-P energy: -65.973
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: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2607.670866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.670866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.670866 (E_RNA)
where:
Base-Base interactions energy: -1799.639
where: short stacking energy: -782.080
Base-Backbone interact. energy: -0.942
local terms energy: -807.089822
where:
bonds (distance) C4'-P energy: -137.977
bonds (distance) P-C4' energy: -148.240
flat angles C4'-P-C4' energy: -174.800
flat angles P-C4'-P energy: -112.733
tors. eta vs tors. theta energy: -233.338
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: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2572.823801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.823801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.823801 (E_RNA)
where:
Base-Base interactions energy: -1797.630
where: short stacking energy: -743.480
Base-Backbone interact. energy: 5.345
local terms energy: -780.538411
where:
bonds (distance) C4'-P energy: -139.755
bonds (distance) P-C4' energy: -145.694
flat angles C4'-P-C4' energy: -167.661
flat angles P-C4'-P energy: -98.484
tors. eta vs tors. theta energy: -228.945
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: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2480.794982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.794982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.794982 (E_RNA)
where:
Base-Base interactions energy: -1684.283
where: short stacking energy: -727.571
Base-Backbone interact. energy: -4.504
local terms energy: -792.008167
where:
bonds (distance) C4'-P energy: -150.693
bonds (distance) P-C4' energy: -144.274
flat angles C4'-P-C4' energy: -171.598
flat angles P-C4'-P energy: -94.545
tors. eta vs tors. theta energy: -230.899
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: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2310.369452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.369452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.369452 (E_RNA)
where:
Base-Base interactions energy: -1568.940
where: short stacking energy: -685.180
Base-Backbone interact. energy: -4.473
local terms energy: -736.956704
where:
bonds (distance) C4'-P energy: -152.446
bonds (distance) P-C4' energy: -133.988
flat angles C4'-P-C4' energy: -149.025
flat angles P-C4'-P energy: -112.134
tors. eta vs tors. theta energy: -189.364
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: 351
Temperature: 1.100000
Total energy: -2235.604811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.604811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.604811 (E_RNA)
where:
Base-Base interactions energy: -1538.686
where: short stacking energy: -677.507
Base-Backbone interact. energy: 0.479
local terms energy: -697.397288
where:
bonds (distance) C4'-P energy: -116.488
bonds (distance) P-C4' energy: -128.438
flat angles C4'-P-C4' energy: -151.476
flat angles P-C4'-P energy: -100.537
tors. eta vs tors. theta energy: -200.459
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: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1896.217997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.217997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.217997 (E_RNA)
where:
Base-Base interactions energy: -1247.886
where: short stacking energy: -570.083
Base-Backbone interact. energy: -2.926
local terms energy: -645.405706
where:
bonds (distance) C4'-P energy: -120.235
bonds (distance) P-C4' energy: -130.662
flat angles C4'-P-C4' energy: -135.546
flat angles P-C4'-P energy: -98.147
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: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1755.303597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.303597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.303597 (E_RNA)
where:
Base-Base interactions energy: -1195.698
where: short stacking energy: -488.563
Base-Backbone interact. energy: -1.566
local terms energy: -558.039637
where:
bonds (distance) C4'-P energy: -103.861
bonds (distance) P-C4' energy: -109.255
flat angles C4'-P-C4' energy: -129.950
flat angles P-C4'-P energy: -101.813
tors. eta vs tors. theta energy: -113.160
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: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1451.638624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.638624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.638624 (E_RNA)
where:
Base-Base interactions energy: -917.242
where: short stacking energy: -446.016
Base-Backbone interact. energy: -0.801
local terms energy: -533.595468
where:
bonds (distance) C4'-P energy: -115.297
bonds (distance) P-C4' energy: -107.156
flat angles C4'-P-C4' energy: -132.197
flat angles P-C4'-P energy: -84.035
tors. eta vs tors. theta energy: -94.910
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: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1306.984544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.984544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.984544 (E_RNA)
where:
Base-Base interactions energy: -802.058
where: short stacking energy: -373.425
Base-Backbone interact. energy: 7.192
local terms energy: -512.118552
where:
bonds (distance) C4'-P energy: -104.113
bonds (distance) P-C4' energy: -113.216
flat angles C4'-P-C4' energy: -122.280
flat angles P-C4'-P energy: -91.116
tors. eta vs tors. theta energy: -81.394
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: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -747.310834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.310834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.310834 (E_RNA)
where:
Base-Base interactions energy: -358.974
where: short stacking energy: -211.663
Base-Backbone interact. energy: 2.847
local terms energy: -391.183952
where:
bonds (distance) C4'-P energy: -128.319
bonds (distance) P-C4' energy: -121.373
flat angles C4'-P-C4' energy: -87.443
flat angles P-C4'-P energy: -60.107
tors. eta vs tors. theta energy: 6.059
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: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2629.172281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.172281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.172281 (E_RNA)
where:
Base-Base interactions energy: -1799.128
where: short stacking energy: -786.606
Base-Backbone interact. energy: -2.316
local terms energy: -827.728204
where:
bonds (distance) C4'-P energy: -149.683
bonds (distance) P-C4' energy: -152.521
flat angles C4'-P-C4' energy: -179.895
flat angles P-C4'-P energy: -113.837
tors. eta vs tors. theta energy: -231.792
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: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2568.516238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.516238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.516238 (E_RNA)
where:
Base-Base interactions energy: -1797.676
where: short stacking energy: -770.001
Base-Backbone interact. energy: 7.792
local terms energy: -778.632253
where:
bonds (distance) C4'-P energy: -140.103
bonds (distance) P-C4' energy: -152.502
flat angles C4'-P-C4' energy: -157.873
flat angles P-C4'-P energy: -96.144
tors. eta vs tors. theta energy: -232.010
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: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2481.387690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.387690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.387690 (E_RNA)
where:
Base-Base interactions energy: -1716.713
where: short stacking energy: -762.744
Base-Backbone interact. energy: -4.036
local terms energy: -760.638891
where:
bonds (distance) C4'-P energy: -138.049
bonds (distance) P-C4' energy: -124.249
flat angles C4'-P-C4' energy: -172.737
flat angles P-C4'-P energy: -103.646
tors. eta vs tors. theta energy: -221.958
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: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2311.897098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.897098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.897098 (E_RNA)
where:
Base-Base interactions energy: -1603.684
where: short stacking energy: -657.817
Base-Backbone interact. energy: 1.310
local terms energy: -709.523525
where:
bonds (distance) C4'-P energy: -149.883
bonds (distance) P-C4' energy: -140.969
flat angles C4'-P-C4' energy: -144.798
flat angles P-C4'-P energy: -91.011
tors. eta vs tors. theta energy: -182.863
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: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2276.534863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.534863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.534863 (E_RNA)
where:
Base-Base interactions energy: -1548.988
where: short stacking energy: -651.277
Base-Backbone interact. energy: -1.508
local terms energy: -726.038597
where:
bonds (distance) C4'-P energy: -134.869
bonds (distance) P-C4' energy: -146.490
flat angles C4'-P-C4' energy: -152.642
flat angles P-C4'-P energy: -99.184
tors. eta vs tors. theta energy: -192.854
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: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1878.681498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.681498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.681498 (E_RNA)
where:
Base-Base interactions energy: -1233.671
where: short stacking energy: -569.747
Base-Backbone interact. energy: -1.832
local terms energy: -643.178503
where:
bonds (distance) C4'-P energy: -122.801
bonds (distance) P-C4' energy: -132.662
flat angles C4'-P-C4' energy: -137.524
flat angles P-C4'-P energy: -89.045
tors. eta vs tors. theta energy: -161.147
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1710.490228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.490228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.490228 (E_RNA)
where:
Base-Base interactions energy: -1138.392
where: short stacking energy: -472.786
Base-Backbone interact. energy: -2.627
local terms energy: -569.471647
where:
bonds (distance) C4'-P energy: -115.072
bonds (distance) P-C4' energy: -143.376
flat angles C4'-P-C4' energy: -128.972
flat angles P-C4'-P energy: -82.258
tors. eta vs tors. theta energy: -99.794
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: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1414.820781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.820781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.820781 (E_RNA)
where:
Base-Base interactions energy: -886.122
where: short stacking energy: -398.778
Base-Backbone interact. energy: -2.459
local terms energy: -526.240225
where:
bonds (distance) C4'-P energy: -125.661
bonds (distance) P-C4' energy: -134.274
flat angles C4'-P-C4' energy: -119.706
flat angles P-C4'-P energy: -69.081
tors. eta vs tors. theta energy: -77.518
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: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1357.130155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.130155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.130155 (E_RNA)
where:
Base-Base interactions energy: -851.983
where: short stacking energy: -402.010
Base-Backbone interact. energy: 2.828
local terms energy: -507.975391
where:
bonds (distance) C4'-P energy: -97.399
bonds (distance) P-C4' energy: -113.003
flat angles C4'-P-C4' energy: -125.121
flat angles P-C4'-P energy: -90.740
tors. eta vs tors. theta energy: -81.712
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: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -817.817438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.817438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.817438 (E_RNA)
where:
Base-Base interactions energy: -395.722
where: short stacking energy: -239.283
Base-Backbone interact. energy: 4.641
local terms energy: -426.736955
where:
bonds (distance) C4'-P energy: -122.850
bonds (distance) P-C4' energy: -116.580
flat angles C4'-P-C4' energy: -97.805
flat angles P-C4'-P energy: -66.138
tors. eta vs tors. theta energy: -23.364
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: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2628.954566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.954566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.954566 (E_RNA)
where:
Base-Base interactions energy: -1809.481
where: short stacking energy: -769.614
Base-Backbone interact. energy: 0.344
local terms energy: -819.817420
where:
bonds (distance) C4'-P energy: -151.164
bonds (distance) P-C4' energy: -147.927
flat angles C4'-P-C4' energy: -169.742
flat angles P-C4'-P energy: -116.217
tors. eta vs tors. theta energy: -234.767
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: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2563.815172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.815172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.815172 (E_RNA)
where:
Base-Base interactions energy: -1791.001
where: short stacking energy: -742.219
Base-Backbone interact. energy: -3.964
local terms energy: -768.850713
where:
bonds (distance) C4'-P energy: -141.879
bonds (distance) P-C4' energy: -132.244
flat angles C4'-P-C4' energy: -165.346
flat angles P-C4'-P energy: -104.678
tors. eta vs tors. theta energy: -224.703
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: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2495.961709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.961709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.961709 (E_RNA)
where:
Base-Base interactions energy: -1719.298
where: short stacking energy: -753.629
Base-Backbone interact. energy: -3.005
local terms energy: -773.658094
where:
bonds (distance) C4'-P energy: -127.910
bonds (distance) P-C4' energy: -144.277
flat angles C4'-P-C4' energy: -169.656
flat angles P-C4'-P energy: -112.609
tors. eta vs tors. theta energy: -219.207
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: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2360.387657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.387657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.387657 (E_RNA)
where:
Base-Base interactions energy: -1642.312
where: short stacking energy: -669.355
Base-Backbone interact. energy: 1.200
local terms energy: -719.276208
where:
bonds (distance) C4'-P energy: -142.581
bonds (distance) P-C4' energy: -127.570
flat angles C4'-P-C4' energy: -157.905
flat angles P-C4'-P energy: -99.481
tors. eta vs tors. theta energy: -191.739
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: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2254.347866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.347866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.347866 (E_RNA)
where:
Base-Base interactions energy: -1573.183
where: short stacking energy: -675.025
Base-Backbone interact. energy: -4.534
local terms energy: -676.631319
where:
bonds (distance) C4'-P energy: -124.470
bonds (distance) P-C4' energy: -126.140
flat angles C4'-P-C4' energy: -140.505
flat angles P-C4'-P energy: -82.527
tors. eta vs tors. theta energy: -202.990
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: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1903.407333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.407333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.407333 (E_RNA)
where:
Base-Base interactions energy: -1264.159
where: short stacking energy: -584.711
Base-Backbone interact. energy: -0.336
local terms energy: -638.912594
where:
bonds (distance) C4'-P energy: -120.034
bonds (distance) P-C4' energy: -139.000
flat angles C4'-P-C4' energy: -150.681
flat angles P-C4'-P energy: -78.766
tors. eta vs tors. theta energy: -150.431
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: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1717.667059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.667059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.667059 (E_RNA)
where:
Base-Base interactions energy: -1139.635
where: short stacking energy: -483.704
Base-Backbone interact. energy: -4.198
local terms energy: -573.834174
where:
bonds (distance) C4'-P energy: -117.321
bonds (distance) P-C4' energy: -132.958
flat angles C4'-P-C4' energy: -134.912
flat angles P-C4'-P energy: -72.524
tors. eta vs tors. theta energy: -116.119
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: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1413.605283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.605283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.605283 (E_RNA)
where:
Base-Base interactions energy: -881.048
where: short stacking energy: -381.335
Base-Backbone interact. energy: 3.895
local terms energy: -536.452281
where:
bonds (distance) C4'-P energy: -120.635
bonds (distance) P-C4' energy: -130.572
flat angles C4'-P-C4' energy: -130.935
flat angles P-C4'-P energy: -85.011
tors. eta vs tors. theta energy: -69.299
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: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1383.391553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.391553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.391553 (E_RNA)
where:
Base-Base interactions energy: -876.469
where: short stacking energy: -423.925
Base-Backbone interact. energy: 2.584
local terms energy: -509.507305
where:
bonds (distance) C4'-P energy: -125.678
bonds (distance) P-C4' energy: -116.416
flat angles C4'-P-C4' energy: -110.798
flat angles P-C4'-P energy: -62.394
tors. eta vs tors. theta energy: -94.221
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: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -786.287003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.287003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.287003 (E_RNA)
where:
Base-Base interactions energy: -365.226
where: short stacking energy: -200.090
Base-Backbone interact. energy: -2.308
local terms energy: -418.753067
where:
bonds (distance) C4'-P energy: -128.945
bonds (distance) P-C4' energy: -136.285
flat angles C4'-P-C4' energy: -119.270
flat angles P-C4'-P energy: -48.194
tors. eta vs tors. theta energy: 13.941
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: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2642.541136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.541136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.541136 (E_RNA)
where:
Base-Base interactions energy: -1818.528
where: short stacking energy: -803.588
Base-Backbone interact. energy: -0.802
local terms energy: -823.212010
where:
bonds (distance) C4'-P energy: -128.946
bonds (distance) P-C4' energy: -163.123
flat angles C4'-P-C4' energy: -173.703
flat angles P-C4'-P energy: -107.533
tors. eta vs tors. theta energy: -249.907
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: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2580.302963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.302963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.302963 (E_RNA)
where:
Base-Base interactions energy: -1805.832
where: short stacking energy: -741.884
Base-Backbone interact. energy: -5.592
local terms energy: -768.878687
where:
bonds (distance) C4'-P energy: -128.518
bonds (distance) P-C4' energy: -143.293
flat angles C4'-P-C4' energy: -165.472
flat angles P-C4'-P energy: -106.604
tors. eta vs tors. theta energy: -224.992
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: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2469.811410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.811410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.811410 (E_RNA)
where:
Base-Base interactions energy: -1687.835
where: short stacking energy: -756.563
Base-Backbone interact. energy: -6.216
local terms energy: -775.759585
where:
bonds (distance) C4'-P energy: -143.985
bonds (distance) P-C4' energy: -136.745
flat angles C4'-P-C4' energy: -154.515
flat angles P-C4'-P energy: -109.918
tors. eta vs tors. theta energy: -230.598
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: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2323.649811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.649811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.649811 (E_RNA)
where:
Base-Base interactions energy: -1611.718
where: short stacking energy: -677.520
Base-Backbone interact. energy: -5.420
local terms energy: -706.511700
where:
bonds (distance) C4'-P energy: -128.533
bonds (distance) P-C4' energy: -142.659
flat angles C4'-P-C4' energy: -154.914
flat angles P-C4'-P energy: -91.676
tors. eta vs tors. theta energy: -188.729
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: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2251.545761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.545761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.545761 (E_RNA)
where:
Base-Base interactions energy: -1544.718
where: short stacking energy: -649.321
Base-Backbone interact. energy: -1.624
local terms energy: -705.203530
where:
bonds (distance) C4'-P energy: -127.697
bonds (distance) P-C4' energy: -132.029
flat angles C4'-P-C4' energy: -148.294
flat angles P-C4'-P energy: -102.849
tors. eta vs tors. theta energy: -194.335
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: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1852.985563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.985563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.985563 (E_RNA)
where:
Base-Base interactions energy: -1210.885
where: short stacking energy: -553.423
Base-Backbone interact. energy: -2.593
local terms energy: -639.507364
where:
bonds (distance) C4'-P energy: -112.602
bonds (distance) P-C4' energy: -116.424
flat angles C4'-P-C4' energy: -149.004
flat angles P-C4'-P energy: -108.263
tors. eta vs tors. theta energy: -153.215
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: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1717.472993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.472993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.472993 (E_RNA)
where:
Base-Base interactions energy: -1182.415
where: short stacking energy: -501.941
Base-Backbone interact. energy: -0.732
local terms energy: -534.326031
where:
bonds (distance) C4'-P energy: -110.731
bonds (distance) P-C4' energy: -113.522
flat angles C4'-P-C4' energy: -123.996
flat angles P-C4'-P energy: -85.755
tors. eta vs tors. theta energy: -100.322
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: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1380.964712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.964712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.964712 (E_RNA)
where:
Base-Base interactions energy: -880.466
where: short stacking energy: -410.763
Base-Backbone interact. energy: 0.152
local terms energy: -500.650598
where:
bonds (distance) C4'-P energy: -121.859
bonds (distance) P-C4' energy: -97.769
flat angles C4'-P-C4' energy: -113.723
flat angles P-C4'-P energy: -83.360
tors. eta vs tors. theta energy: -83.939
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: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1388.334385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.334385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.334385 (E_RNA)
where:
Base-Base interactions energy: -890.863
where: short stacking energy: -420.472
Base-Backbone interact. energy: 0.326
local terms energy: -497.797884
where:
bonds (distance) C4'-P energy: -112.580
bonds (distance) P-C4' energy: -129.436
flat angles C4'-P-C4' energy: -119.484
flat angles P-C4'-P energy: -58.607
tors. eta vs tors. theta energy: -77.691
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: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -780.567607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.567607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.567607 (E_RNA)
where:
Base-Base interactions energy: -386.199
where: short stacking energy: -227.103
Base-Backbone interact. energy: 1.215
local terms energy: -395.583232
where:
bonds (distance) C4'-P energy: -102.253
bonds (distance) P-C4' energy: -137.113
flat angles C4'-P-C4' energy: -99.194
flat angles P-C4'-P energy: -66.287
tors. eta vs tors. theta energy: 9.263
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: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2655.475524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.475524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.475524 (E_RNA)
where:
Base-Base interactions energy: -1843.311
where: short stacking energy: -802.360
Base-Backbone interact. energy: -0.218
local terms energy: -811.946302
where:
bonds (distance) C4'-P energy: -148.185
bonds (distance) P-C4' energy: -142.690
flat angles C4'-P-C4' energy: -166.375
flat angles P-C4'-P energy: -115.542
tors. eta vs tors. theta energy: -239.154
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: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2549.623806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.623806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.623806 (E_RNA)
where:
Base-Base interactions energy: -1732.997
where: short stacking energy: -779.177
Base-Backbone interact. energy: -1.637
local terms energy: -814.989913
where:
bonds (distance) C4'-P energy: -149.929
bonds (distance) P-C4' energy: -142.031
flat angles C4'-P-C4' energy: -170.320
flat angles P-C4'-P energy: -117.019
tors. eta vs tors. theta energy: -235.692
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: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2506.779886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.779886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.779886 (E_RNA)
where:
Base-Base interactions energy: -1756.954
where: short stacking energy: -731.729
Base-Backbone interact. energy: -4.566
local terms energy: -745.259862
where:
bonds (distance) C4'-P energy: -134.486
bonds (distance) P-C4' energy: -147.157
flat angles C4'-P-C4' energy: -153.493
flat angles P-C4'-P energy: -91.522
tors. eta vs tors. theta energy: -218.602
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: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2313.173041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.173041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.173041 (E_RNA)
where:
Base-Base interactions energy: -1579.876
where: short stacking energy: -667.667
Base-Backbone interact. energy: -0.076
local terms energy: -733.220856
where:
bonds (distance) C4'-P energy: -147.315
bonds (distance) P-C4' energy: -138.998
flat angles C4'-P-C4' energy: -149.124
flat angles P-C4'-P energy: -105.269
tors. eta vs tors. theta energy: -192.515
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: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2296.908714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.908714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.908714 (E_RNA)
where:
Base-Base interactions energy: -1586.292
where: short stacking energy: -671.516
Base-Backbone interact. energy: -1.037
local terms energy: -709.579350
where:
bonds (distance) C4'-P energy: -118.095
bonds (distance) P-C4' energy: -148.656
flat angles C4'-P-C4' energy: -140.456
flat angles P-C4'-P energy: -94.211
tors. eta vs tors. theta energy: -208.162
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: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1840.102271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.102271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.102271 (E_RNA)
where:
Base-Base interactions energy: -1208.972
where: short stacking energy: -572.665
Base-Backbone interact. energy: -3.242
local terms energy: -627.888024
where:
bonds (distance) C4'-P energy: -112.840
bonds (distance) P-C4' energy: -132.009
flat angles C4'-P-C4' energy: -152.162
flat angles P-C4'-P energy: -84.530
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: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1756.596810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.596810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.596810 (E_RNA)
where:
Base-Base interactions energy: -1140.351
where: short stacking energy: -496.824
Base-Backbone interact. energy: 0.007
local terms energy: -616.252016
where:
bonds (distance) C4'-P energy: -137.693
bonds (distance) P-C4' energy: -137.182
flat angles C4'-P-C4' energy: -135.783
flat angles P-C4'-P energy: -78.317
tors. eta vs tors. theta energy: -127.278
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: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1387.529445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.529445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.529445 (E_RNA)
where:
Base-Base interactions energy: -890.985
where: short stacking energy: -394.617
Base-Backbone interact. energy: -3.506
local terms energy: -493.038248
where:
bonds (distance) C4'-P energy: -95.255
bonds (distance) P-C4' energy: -132.094
flat angles C4'-P-C4' energy: -136.228
flat angles P-C4'-P energy: -64.308
tors. eta vs tors. theta energy: -65.155
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: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1293.702539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.702539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.702539 (E_RNA)
where:
Base-Base interactions energy: -821.584
where: short stacking energy: -391.029
Base-Backbone interact. energy: 1.361
local terms energy: -473.479403
where:
bonds (distance) C4'-P energy: -116.109
bonds (distance) P-C4' energy: -108.379
flat angles C4'-P-C4' energy: -101.531
flat angles P-C4'-P energy: -69.816
tors. eta vs tors. theta energy: -77.644
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: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -851.193548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.193548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.193548 (E_RNA)
where:
Base-Base interactions energy: -443.013
where: short stacking energy: -267.894
Base-Backbone interact. energy: -1.419
local terms energy: -406.761510
where:
bonds (distance) C4'-P energy: -104.184
bonds (distance) P-C4' energy: -110.827
flat angles C4'-P-C4' energy: -116.508
flat angles P-C4'-P energy: -55.705
tors. eta vs tors. theta energy: -19.539
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: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2682.077564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.077564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.077564 (E_RNA)
where:
Base-Base interactions energy: -1828.262
where: short stacking energy: -780.093
Base-Backbone interact. energy: -3.326
local terms energy: -850.489703
where:
bonds (distance) C4'-P energy: -156.318
bonds (distance) P-C4' energy: -149.383
flat angles C4'-P-C4' energy: -172.076
flat angles P-C4'-P energy: -126.182
tors. eta vs tors. theta energy: -246.531
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: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2546.039409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.039409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.039409 (E_RNA)
where:
Base-Base interactions energy: -1744.656
where: short stacking energy: -777.502
Base-Backbone interact. energy: -1.691
local terms energy: -799.692258
where:
bonds (distance) C4'-P energy: -135.198
bonds (distance) P-C4' energy: -154.484
flat angles C4'-P-C4' energy: -164.501
flat angles P-C4'-P energy: -110.363
tors. eta vs tors. theta energy: -235.146
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: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2529.148855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.148855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.148855 (E_RNA)
where:
Base-Base interactions energy: -1762.115
where: short stacking energy: -731.246
Base-Backbone interact. energy: -5.782
local terms energy: -761.252164
where:
bonds (distance) C4'-P energy: -136.781
bonds (distance) P-C4' energy: -137.529
flat angles C4'-P-C4' energy: -170.863
flat angles P-C4'-P energy: -102.587
tors. eta vs tors. theta energy: -213.492
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: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2351.418667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.418667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.418667 (E_RNA)
where:
Base-Base interactions energy: -1627.268
where: short stacking energy: -681.804
Base-Backbone interact. energy: -1.305
local terms energy: -722.845561
where:
bonds (distance) C4'-P energy: -110.273
bonds (distance) P-C4' energy: -160.762
flat angles C4'-P-C4' energy: -166.947
flat angles P-C4'-P energy: -95.973
tors. eta vs tors. theta energy: -188.891
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: 356
Temperature: 1.100000
Total energy: -2286.034680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.034680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.034680 (E_RNA)
where:
Base-Base interactions energy: -1567.595
where: short stacking energy: -660.111
Base-Backbone interact. energy: -0.696
local terms energy: -717.743764
where:
bonds (distance) C4'-P energy: -127.579
bonds (distance) P-C4' energy: -131.609
flat angles C4'-P-C4' energy: -159.470
flat angles P-C4'-P energy: -111.066
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: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1856.463779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.463779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.463779 (E_RNA)
where:
Base-Base interactions energy: -1242.852
where: short stacking energy: -572.492
Base-Backbone interact. energy: 0.782
local terms energy: -614.393879
where:
bonds (distance) C4'-P energy: -103.136
bonds (distance) P-C4' energy: -140.778
flat angles C4'-P-C4' energy: -132.915
flat angles P-C4'-P energy: -84.029
tors. eta vs tors. theta energy: -153.537
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: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1780.901064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.901064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.901064 (E_RNA)
where:
Base-Base interactions energy: -1191.914
where: short stacking energy: -509.647
Base-Backbone interact. energy: -0.730
local terms energy: -588.256577
where:
bonds (distance) C4'-P energy: -109.275
bonds (distance) P-C4' energy: -133.492
flat angles C4'-P-C4' energy: -134.091
flat angles P-C4'-P energy: -89.658
tors. eta vs tors. theta energy: -121.741
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: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1408.406070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.406070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.406070 (E_RNA)
where:
Base-Base interactions energy: -898.919
where: short stacking energy: -365.703
Base-Backbone interact. energy: -1.757
local terms energy: -507.730402
where:
bonds (distance) C4'-P energy: -122.698
bonds (distance) P-C4' energy: -106.447
flat angles C4'-P-C4' energy: -131.962
flat angles P-C4'-P energy: -76.160
tors. eta vs tors. theta energy: -70.463
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: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1346.475147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.475147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.475147 (E_RNA)
where:
Base-Base interactions energy: -835.550
where: short stacking energy: -405.534
Base-Backbone interact. energy: 0.642
local terms energy: -511.567277
where:
bonds (distance) C4'-P energy: -104.965
bonds (distance) P-C4' energy: -124.319
flat angles C4'-P-C4' energy: -111.937
flat angles P-C4'-P energy: -87.542
tors. eta vs tors. theta energy: -82.804
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: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -921.080007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.080007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.080007 (E_RNA)
where:
Base-Base interactions energy: -506.988
where: short stacking energy: -259.442
Base-Backbone interact. energy: -1.520
local terms energy: -412.571942
where:
bonds (distance) C4'-P energy: -112.928
bonds (distance) P-C4' energy: -118.212
flat angles C4'-P-C4' energy: -108.149
flat angles P-C4'-P energy: -58.767
tors. eta vs tors. theta energy: -14.515
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: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2660.677185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.677185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.677185 (E_RNA)
where:
Base-Base interactions energy: -1829.695
where: short stacking energy: -797.098
Base-Backbone interact. energy: -3.966
local terms energy: -827.015526
where:
bonds (distance) C4'-P energy: -136.988
bonds (distance) P-C4' energy: -160.421
flat angles C4'-P-C4' energy: -172.828
flat angles P-C4'-P energy: -116.039
tors. eta vs tors. theta energy: -240.740
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: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2539.333700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.333700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.333700 (E_RNA)
where:
Base-Base interactions energy: -1731.084
where: short stacking energy: -761.011
Base-Backbone interact. energy: -2.612
local terms energy: -805.637549
where:
bonds (distance) C4'-P energy: -135.824
bonds (distance) P-C4' energy: -156.443
flat angles C4'-P-C4' energy: -169.984
flat angles P-C4'-P energy: -112.722
tors. eta vs tors. theta energy: -230.665
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: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2516.295596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.295596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.295596 (E_RNA)
where:
Base-Base interactions energy: -1761.643
where: short stacking energy: -736.941
Base-Backbone interact. energy: -3.670
local terms energy: -750.983359
where:
bonds (distance) C4'-P energy: -137.216
bonds (distance) P-C4' energy: -138.559
flat angles C4'-P-C4' energy: -157.504
flat angles P-C4'-P energy: -107.469
tors. eta vs tors. theta energy: -210.235
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: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2294.831719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.831719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.831719 (E_RNA)
where:
Base-Base interactions energy: -1590.536
where: short stacking energy: -668.074
Base-Backbone interact. energy: -1.702
local terms energy: -702.593584
where:
bonds (distance) C4'-P energy: -114.563
bonds (distance) P-C4' energy: -121.114
flat angles C4'-P-C4' energy: -161.476
flat angles P-C4'-P energy: -104.958
tors. eta vs tors. theta energy: -200.483
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: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2283.338258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.338258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.338258 (E_RNA)
where:
Base-Base interactions energy: -1555.199
where: short stacking energy: -670.119
Base-Backbone interact. energy: -3.321
local terms energy: -724.818460
where:
bonds (distance) C4'-P energy: -111.996
bonds (distance) P-C4' energy: -152.401
flat angles C4'-P-C4' energy: -153.645
flat angles P-C4'-P energy: -103.735
tors. eta vs tors. theta energy: -203.041
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: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1867.780540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.780540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.780540 (E_RNA)
where:
Base-Base interactions energy: -1237.941
where: short stacking energy: -553.360
Base-Backbone interact. energy: 0.665
local terms energy: -630.504935
where:
bonds (distance) C4'-P energy: -106.746
bonds (distance) P-C4' energy: -128.761
flat angles C4'-P-C4' energy: -154.438
flat angles P-C4'-P energy: -91.565
tors. eta vs tors. theta energy: -148.995
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: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1784.118424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.118424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.118424 (E_RNA)
where:
Base-Base interactions energy: -1184.556
where: short stacking energy: -524.715
Base-Backbone interact. energy: 3.041
local terms energy: -602.602703
where:
bonds (distance) C4'-P energy: -128.501
bonds (distance) P-C4' energy: -130.061
flat angles C4'-P-C4' energy: -122.725
flat angles P-C4'-P energy: -88.635
tors. eta vs tors. theta energy: -132.682
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: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1313.697778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.697778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.697778 (E_RNA)
where:
Base-Base interactions energy: -823.969
where: short stacking energy: -388.354
Base-Backbone interact. energy: 1.612
local terms energy: -491.340472
where:
bonds (distance) C4'-P energy: -115.500
bonds (distance) P-C4' energy: -118.048
flat angles C4'-P-C4' energy: -124.501
flat angles P-C4'-P energy: -77.715
tors. eta vs tors. theta energy: -55.576
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: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1325.060087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.060087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.060087 (E_RNA)
where:
Base-Base interactions energy: -840.024
where: short stacking energy: -431.926
Base-Backbone interact. energy: -1.045
local terms energy: -483.991296
where:
bonds (distance) C4'-P energy: -105.918
bonds (distance) P-C4' energy: -114.099
flat angles C4'-P-C4' energy: -98.530
flat angles P-C4'-P energy: -70.864
tors. eta vs tors. theta energy: -94.580
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: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -847.129424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.129424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.129424 (E_RNA)
where:
Base-Base interactions energy: -444.073
where: short stacking energy: -234.480
Base-Backbone interact. energy: 5.232
local terms energy: -408.288367
where:
bonds (distance) C4'-P energy: -115.150
bonds (distance) P-C4' energy: -125.109
flat angles C4'-P-C4' energy: -87.861
flat angles P-C4'-P energy: -67.235
tors. eta vs tors. theta energy: -12.933
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: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2641.910717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.910717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.910717 (E_RNA)
where:
Base-Base interactions energy: -1823.549
where: short stacking energy: -781.649
Base-Backbone interact. energy: -5.015
local terms energy: -813.346799
where:
bonds (distance) C4'-P energy: -129.737
bonds (distance) P-C4' energy: -156.274
flat angles C4'-P-C4' energy: -165.434
flat angles P-C4'-P energy: -117.973
tors. eta vs tors. theta energy: -243.929
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: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2537.151967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.151967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.151967 (E_RNA)
where:
Base-Base interactions energy: -1750.848
where: short stacking energy: -793.714
Base-Backbone interact. energy: -3.452
local terms energy: -782.852426
where:
bonds (distance) C4'-P energy: -148.402
bonds (distance) P-C4' energy: -130.185
flat angles C4'-P-C4' energy: -169.640
flat angles P-C4'-P energy: -96.135
tors. eta vs tors. theta energy: -238.491
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: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2517.588717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.588717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.588717 (E_RNA)
where:
Base-Base interactions energy: -1758.880
where: short stacking energy: -728.121
Base-Backbone interact. energy: 5.064
local terms energy: -763.773005
where:
bonds (distance) C4'-P energy: -143.228
bonds (distance) P-C4' energy: -149.536
flat angles C4'-P-C4' energy: -168.655
flat angles P-C4'-P energy: -87.320
tors. eta vs tors. theta energy: -215.034
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: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2319.116123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.116123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.116123 (E_RNA)
where:
Base-Base interactions energy: -1588.109
where: short stacking energy: -662.663
Base-Backbone interact. energy: -1.827
local terms energy: -729.179849
where:
bonds (distance) C4'-P energy: -138.175
bonds (distance) P-C4' energy: -135.658
flat angles C4'-P-C4' energy: -159.672
flat angles P-C4'-P energy: -97.454
tors. eta vs tors. theta energy: -198.221
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: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2267.919635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.919635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.919635 (E_RNA)
where:
Base-Base interactions energy: -1571.647
where: short stacking energy: -660.989
Base-Backbone interact. energy: 3.399
local terms energy: -699.671687
where:
bonds (distance) C4'-P energy: -122.818
bonds (distance) P-C4' energy: -125.967
flat angles C4'-P-C4' energy: -135.094
flat angles P-C4'-P energy: -111.254
tors. eta vs tors. theta energy: -204.539
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: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1847.902646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.902646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.902646 (E_RNA)
where:
Base-Base interactions energy: -1209.286
where: short stacking energy: -553.095
Base-Backbone interact. energy: -0.604
local terms energy: -638.012783
where:
bonds (distance) C4'-P energy: -135.528
bonds (distance) P-C4' energy: -127.222
flat angles C4'-P-C4' energy: -147.449
flat angles P-C4'-P energy: -74.082
tors. eta vs tors. theta energy: -153.733
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: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1665.256396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.256396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.256396 (E_RNA)
where:
Base-Base interactions energy: -1092.313
where: short stacking energy: -473.687
Base-Backbone interact. energy: -2.260
local terms energy: -570.683624
where:
bonds (distance) C4'-P energy: -121.813
bonds (distance) P-C4' energy: -132.262
flat angles C4'-P-C4' energy: -114.412
flat angles P-C4'-P energy: -101.021
tors. eta vs tors. theta energy: -101.176
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: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1320.996501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.996501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.996501 (E_RNA)
where:
Base-Base interactions energy: -825.432
where: short stacking energy: -409.546
Base-Backbone interact. energy: -0.292
local terms energy: -495.273009
where:
bonds (distance) C4'-P energy: -112.359
bonds (distance) P-C4' energy: -114.764
flat angles C4'-P-C4' energy: -136.945
flat angles P-C4'-P energy: -73.050
tors. eta vs tors. theta energy: -58.154
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: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1284.689826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.689826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.689826 (E_RNA)
where:
Base-Base interactions energy: -812.168
where: short stacking energy: -349.764
Base-Backbone interact. energy: -0.276
local terms energy: -472.245798
where:
bonds (distance) C4'-P energy: -98.544
bonds (distance) P-C4' energy: -135.391
flat angles C4'-P-C4' energy: -122.353
flat angles P-C4'-P energy: -62.695
tors. eta vs tors. theta energy: -53.263
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: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -868.275206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.275206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.275206 (E_RNA)
where:
Base-Base interactions energy: -442.380
where: short stacking energy: -249.286
Base-Backbone interact. energy: 4.905
local terms energy: -430.801015
where:
bonds (distance) C4'-P energy: -118.299
bonds (distance) P-C4' energy: -126.070
flat angles C4'-P-C4' energy: -102.049
flat angles P-C4'-P energy: -59.479
tors. eta vs tors. theta energy: -24.903
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: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2641.699313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.699313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.699313 (E_RNA)
where:
Base-Base interactions energy: -1793.616
where: short stacking energy: -785.407
Base-Backbone interact. energy: -3.540
local terms energy: -844.543528
where:
bonds (distance) C4'-P energy: -158.000
bonds (distance) P-C4' energy: -152.017
flat angles C4'-P-C4' energy: -185.438
flat angles P-C4'-P energy: -112.720
tors. eta vs tors. theta energy: -236.368
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: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2522.872869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.872869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.872869 (E_RNA)
where:
Base-Base interactions energy: -1724.546
where: short stacking energy: -771.035
Base-Backbone interact. energy: -3.938
local terms energy: -794.388674
where:
bonds (distance) C4'-P energy: -140.146
bonds (distance) P-C4' energy: -139.114
flat angles C4'-P-C4' energy: -174.771
flat angles P-C4'-P energy: -108.283
tors. eta vs tors. theta energy: -232.074
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: 359
Temperature: 1.000000
Total energy: -2472.686094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.686094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.686094 (E_RNA)
where:
Base-Base interactions energy: -1765.213
where: short stacking energy: -709.388
Base-Backbone interact. energy: -1.404
local terms energy: -706.068526
where:
bonds (distance) C4'-P energy: -125.908
bonds (distance) P-C4' energy: -120.597
flat angles C4'-P-C4' energy: -136.410
flat angles P-C4'-P energy: -109.135
tors. eta vs tors. theta energy: -214.018
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: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2348.959988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.959988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.959988 (E_RNA)
where:
Base-Base interactions energy: -1585.131
where: short stacking energy: -688.189
Base-Backbone interact. energy: -4.795
local terms energy: -759.034361
where:
bonds (distance) C4'-P energy: -126.797
bonds (distance) P-C4' energy: -156.524
flat angles C4'-P-C4' energy: -169.749
flat angles P-C4'-P energy: -111.616
tors. eta vs tors. theta energy: -194.349
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: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2300.863427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.863427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.863427 (E_RNA)
where:
Base-Base interactions energy: -1612.621
where: short stacking energy: -699.267
Base-Backbone interact. energy: -1.973
local terms energy: -686.269046
where:
bonds (distance) C4'-P energy: -135.516
bonds (distance) P-C4' energy: -137.407
flat angles C4'-P-C4' energy: -150.300
flat angles P-C4'-P energy: -68.600
tors. eta vs tors. theta energy: -194.446
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: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1904.812033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.812033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.812033 (E_RNA)
where:
Base-Base interactions energy: -1256.657
where: short stacking energy: -577.273
Base-Backbone interact. energy: -4.908
local terms energy: -643.246784
where:
bonds (distance) C4'-P energy: -117.993
bonds (distance) P-C4' energy: -135.748
flat angles C4'-P-C4' energy: -140.657
flat angles P-C4'-P energy: -89.955
tors. eta vs tors. theta energy: -158.894
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: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1766.316388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.316388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.316388 (E_RNA)
where:
Base-Base interactions energy: -1181.585
where: short stacking energy: -493.803
Base-Backbone interact. energy: -0.548
local terms energy: -584.183238
where:
bonds (distance) C4'-P energy: -104.830
bonds (distance) P-C4' energy: -133.265
flat angles C4'-P-C4' energy: -140.208
flat angles P-C4'-P energy: -101.527
tors. eta vs tors. theta energy: -104.353
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: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1325.083669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.083669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.083669 (E_RNA)
where:
Base-Base interactions energy: -815.992
where: short stacking energy: -380.856
Base-Backbone interact. energy: 0.103
local terms energy: -509.195027
where:
bonds (distance) C4'-P energy: -115.669
bonds (distance) P-C4' energy: -122.419
flat angles C4'-P-C4' energy: -123.178
flat angles P-C4'-P energy: -83.346
tors. eta vs tors. theta energy: -64.583
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: 359
Temperature: 1.300000
Total energy: -1267.034458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.034458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.034458 (E_RNA)
where:
Base-Base interactions energy: -788.621
where: short stacking energy: -333.793
Base-Backbone interact. energy: 2.825
local terms energy: -481.237776
where:
bonds (distance) C4'-P energy: -120.161
bonds (distance) P-C4' energy: -131.004
flat angles C4'-P-C4' energy: -135.422
flat angles P-C4'-P energy: -67.792
tors. eta vs tors. theta energy: -26.859
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: 359
Temperature: 1.350000
Total energy: -863.092844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.092844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.092844 (E_RNA)
where:
Base-Base interactions energy: -430.065
where: short stacking energy: -270.231
Base-Backbone interact. energy: 1.719
local terms energy: -434.747408
where:
bonds (distance) C4'-P energy: -125.610
bonds (distance) P-C4' energy: -120.090
flat angles C4'-P-C4' energy: -116.880
flat angles P-C4'-P energy: -54.435
tors. eta vs tors. theta energy: -17.733
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: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2652.479922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.479922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.479922 (E_RNA)
where:
Base-Base interactions energy: -1833.416
where: short stacking energy: -802.790
Base-Backbone interact. energy: -2.125
local terms energy: -816.939386
where:
bonds (distance) C4'-P energy: -142.524
bonds (distance) P-C4' energy: -142.327
flat angles C4'-P-C4' energy: -177.026
flat angles P-C4'-P energy: -121.209
tors. eta vs tors. theta energy: -233.854
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: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2521.910761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.910761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.910761 (E_RNA)
where:
Base-Base interactions energy: -1724.324
where: short stacking energy: -781.517
Base-Backbone interact. energy: -1.624
local terms energy: -795.962935
where:
bonds (distance) C4'-P energy: -140.943
bonds (distance) P-C4' energy: -151.004
flat angles C4'-P-C4' energy: -160.791
flat angles P-C4'-P energy: -111.440
tors. eta vs tors. theta energy: -231.785
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: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2500.247981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.247981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.247981 (E_RNA)
where:
Base-Base interactions energy: -1756.451
where: short stacking energy: -737.935
Base-Backbone interact. energy: -2.272
local terms energy: -741.525143
where:
bonds (distance) C4'-P energy: -139.261
bonds (distance) P-C4' energy: -127.362
flat angles C4'-P-C4' energy: -161.932
flat angles P-C4'-P energy: -102.826
tors. eta vs tors. theta energy: -210.144
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: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2294.380772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.380772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.380772 (E_RNA)
where:
Base-Base interactions energy: -1578.212
where: short stacking energy: -676.842
Base-Backbone interact. energy: 0.183
local terms energy: -716.351341
where:
bonds (distance) C4'-P energy: -133.548
bonds (distance) P-C4' energy: -127.139
flat angles C4'-P-C4' energy: -171.646
flat angles P-C4'-P energy: -96.556
tors. eta vs tors. theta energy: -187.462
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: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2297.803097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.803097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.803097 (E_RNA)
where:
Base-Base interactions energy: -1593.652
where: short stacking energy: -708.164
Base-Backbone interact. energy: 0.438
local terms energy: -704.589170
where:
bonds (distance) C4'-P energy: -124.039
bonds (distance) P-C4' energy: -136.623
flat angles C4'-P-C4' energy: -152.929
flat angles P-C4'-P energy: -94.887
tors. eta vs tors. theta energy: -196.111
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1858.639160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.639160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.639160 (E_RNA)
where:
Base-Base interactions energy: -1208.417
where: short stacking energy: -550.849
Base-Backbone interact. energy: -3.259
local terms energy: -646.962728
where:
bonds (distance) C4'-P energy: -138.309
bonds (distance) P-C4' energy: -125.635
flat angles C4'-P-C4' energy: -132.916
flat angles P-C4'-P energy: -103.277
tors. eta vs tors. theta energy: -146.826
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: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1726.619684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.619684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.619684 (E_RNA)
where:
Base-Base interactions energy: -1135.121
where: short stacking energy: -487.164
Base-Backbone interact. energy: -2.750
local terms energy: -588.749052
where:
bonds (distance) C4'-P energy: -138.724
bonds (distance) P-C4' energy: -117.520
flat angles C4'-P-C4' energy: -123.364
flat angles P-C4'-P energy: -80.942
tors. eta vs tors. theta energy: -128.199
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: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1330.677569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.677569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.677569 (E_RNA)
where:
Base-Base interactions energy: -828.753
where: short stacking energy: -409.658
Base-Backbone interact. energy: 1.913
local terms energy: -503.837324
where:
bonds (distance) C4'-P energy: -99.094
bonds (distance) P-C4' energy: -103.382
flat angles C4'-P-C4' energy: -138.725
flat angles P-C4'-P energy: -82.723
tors. eta vs tors. theta energy: -79.913
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: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1208.228614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.228614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.228614 (E_RNA)
where:
Base-Base interactions energy: -737.570
where: short stacking energy: -336.788
Base-Backbone interact. energy: 1.778
local terms energy: -472.437006
where:
bonds (distance) C4'-P energy: -110.864
bonds (distance) P-C4' energy: -135.008
flat angles C4'-P-C4' energy: -131.122
flat angles P-C4'-P energy: -56.781
tors. eta vs tors. theta energy: -38.661
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: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -850.037319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.037319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.037319 (E_RNA)
where:
Base-Base interactions energy: -442.265
where: short stacking energy: -212.752
Base-Backbone interact. energy: -0.022
local terms energy: -407.750298
where:
bonds (distance) C4'-P energy: -103.706
bonds (distance) P-C4' energy: -115.958
flat angles C4'-P-C4' energy: -113.651
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: 1.189
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: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2637.264156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.264156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.264156 (E_RNA)
where:
Base-Base interactions energy: -1810.846
where: short stacking energy: -811.365
Base-Backbone interact. energy: -5.020
local terms energy: -821.398853
where:
bonds (distance) C4'-P energy: -138.142
bonds (distance) P-C4' energy: -160.243
flat angles C4'-P-C4' energy: -167.122
flat angles P-C4'-P energy: -115.694
tors. eta vs tors. theta energy: -240.197
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: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2529.012557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.012557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.012557 (E_RNA)
where:
Base-Base interactions energy: -1745.075
where: short stacking energy: -771.886
Base-Backbone interact. energy: -0.350
local terms energy: -783.588282
where:
bonds (distance) C4'-P energy: -133.368
bonds (distance) P-C4' energy: -142.052
flat angles C4'-P-C4' energy: -158.674
flat angles P-C4'-P energy: -114.331
tors. eta vs tors. theta energy: -235.163
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2484.258142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.258142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.258142 (E_RNA)
where:
Base-Base interactions energy: -1723.971
where: short stacking energy: -707.743
Base-Backbone interact. energy: -2.777
local terms energy: -757.509597
where:
bonds (distance) C4'-P energy: -128.290
bonds (distance) P-C4' energy: -143.677
flat angles C4'-P-C4' energy: -161.855
flat angles P-C4'-P energy: -107.034
tors. eta vs tors. theta energy: -216.653
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: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2290.311818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.311818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.311818 (E_RNA)
where:
Base-Base interactions energy: -1608.391
where: short stacking energy: -681.003
Base-Backbone interact. energy: 2.502
local terms energy: -684.422332
where:
bonds (distance) C4'-P energy: -139.598
bonds (distance) P-C4' energy: -124.355
flat angles C4'-P-C4' energy: -137.411
flat angles P-C4'-P energy: -92.152
tors. eta vs tors. theta energy: -190.908
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: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2269.376608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.376608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.376608 (E_RNA)
where:
Base-Base interactions energy: -1566.163
where: short stacking energy: -681.055
Base-Backbone interact. energy: 0.487
local terms energy: -703.699779
where:
bonds (distance) C4'-P energy: -123.126
bonds (distance) P-C4' energy: -129.112
flat angles C4'-P-C4' energy: -143.961
flat angles P-C4'-P energy: -105.020
tors. eta vs tors. theta energy: -202.482
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: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1907.371438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.371438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.371438 (E_RNA)
where:
Base-Base interactions energy: -1266.565
where: short stacking energy: -569.991
Base-Backbone interact. energy: 6.259
local terms energy: -647.065437
where:
bonds (distance) C4'-P energy: -117.283
bonds (distance) P-C4' energy: -136.299
flat angles C4'-P-C4' energy: -149.993
flat angles P-C4'-P energy: -94.439
tors. eta vs tors. theta energy: -149.053
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: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1731.506399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.506399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.506399 (E_RNA)
where:
Base-Base interactions energy: -1131.009
where: short stacking energy: -525.720
Base-Backbone interact. energy: 1.297
local terms energy: -601.795125
where:
bonds (distance) C4'-P energy: -137.156
bonds (distance) P-C4' energy: -125.043
flat angles C4'-P-C4' energy: -140.683
flat angles P-C4'-P energy: -75.100
tors. eta vs tors. theta energy: -123.814
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: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1360.758951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.758951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.758951 (E_RNA)
where:
Base-Base interactions energy: -838.640
where: short stacking energy: -402.067
Base-Backbone interact. energy: -1.722
local terms energy: -520.396993
where:
bonds (distance) C4'-P energy: -129.166
bonds (distance) P-C4' energy: -125.457
flat angles C4'-P-C4' energy: -134.725
flat angles P-C4'-P energy: -55.260
tors. eta vs tors. theta energy: -75.789
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: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1166.071261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.071261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.071261 (E_RNA)
where:
Base-Base interactions energy: -721.367
where: short stacking energy: -322.232
Base-Backbone interact. energy: -0.105
local terms energy: -444.599489
where:
bonds (distance) C4'-P energy: -97.084
bonds (distance) P-C4' energy: -110.737
flat angles C4'-P-C4' energy: -107.753
flat angles P-C4'-P energy: -86.685
tors. eta vs tors. theta energy: -42.340
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: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -893.075780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.075780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.075780 (E_RNA)
where:
Base-Base interactions energy: -472.867
where: short stacking energy: -285.566
Base-Backbone interact. energy: 0.311
local terms energy: -420.520354
where:
bonds (distance) C4'-P energy: -122.974
bonds (distance) P-C4' energy: -127.736
flat angles C4'-P-C4' energy: -84.247
flat angles P-C4'-P energy: -66.438
tors. eta vs tors. theta energy: -19.126
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: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2645.426444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.426444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.426444 (E_RNA)
where:
Base-Base interactions energy: -1797.233
where: short stacking energy: -809.227
Base-Backbone interact. energy: -2.276
local terms energy: -845.917593
where:
bonds (distance) C4'-P energy: -138.929
bonds (distance) P-C4' energy: -160.908
flat angles C4'-P-C4' energy: -170.389
flat angles P-C4'-P energy: -125.002
tors. eta vs tors. theta energy: -250.689
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: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2550.529542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.529542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.529542 (E_RNA)
where:
Base-Base interactions energy: -1767.692
where: short stacking energy: -764.283
Base-Backbone interact. energy: -2.914
local terms energy: -779.923468
where:
bonds (distance) C4'-P energy: -140.740
bonds (distance) P-C4' energy: -131.651
flat angles C4'-P-C4' energy: -160.849
flat angles P-C4'-P energy: -111.372
tors. eta vs tors. theta energy: -235.310
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: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2490.655951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.655951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.655951 (E_RNA)
where:
Base-Base interactions energy: -1752.500
where: short stacking energy: -737.666
Base-Backbone interact. energy: 3.795
local terms energy: -741.951254
where:
bonds (distance) C4'-P energy: -130.767
bonds (distance) P-C4' energy: -136.605
flat angles C4'-P-C4' energy: -166.413
flat angles P-C4'-P energy: -103.242
tors. eta vs tors. theta energy: -204.924
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: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2315.026454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.026454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.026454 (E_RNA)
where:
Base-Base interactions energy: -1581.143
where: short stacking energy: -673.979
Base-Backbone interact. energy: -2.217
local terms energy: -731.665642
where:
bonds (distance) C4'-P energy: -127.513
bonds (distance) P-C4' energy: -151.183
flat angles C4'-P-C4' energy: -162.416
flat angles P-C4'-P energy: -103.977
tors. eta vs tors. theta energy: -186.577
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: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2218.910383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.910383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.910383 (E_RNA)
where:
Base-Base interactions energy: -1528.096
where: short stacking energy: -674.807
Base-Backbone interact. energy: -1.016
local terms energy: -689.798486
where:
bonds (distance) C4'-P energy: -129.913
bonds (distance) P-C4' energy: -137.425
flat angles C4'-P-C4' energy: -135.335
flat angles P-C4'-P energy: -100.356
tors. eta vs tors. theta energy: -186.770
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1913.710391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.710391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.710391 (E_RNA)
where:
Base-Base interactions energy: -1295.246
where: short stacking energy: -596.387
Base-Backbone interact. energy: 1.569
local terms energy: -620.034226
where:
bonds (distance) C4'-P energy: -108.604
bonds (distance) P-C4' energy: -120.813
flat angles C4'-P-C4' energy: -147.661
flat angles P-C4'-P energy: -80.549
tors. eta vs tors. theta energy: -162.407
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: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1715.073551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.073551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.073551 (E_RNA)
where:
Base-Base interactions energy: -1147.447
where: short stacking energy: -489.599
Base-Backbone interact. energy: -0.509
local terms energy: -567.117470
where:
bonds (distance) C4'-P energy: -123.529
bonds (distance) P-C4' energy: -124.173
flat angles C4'-P-C4' energy: -128.105
flat angles P-C4'-P energy: -78.447
tors. eta vs tors. theta energy: -112.864
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: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1337.681483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.681483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.681483 (E_RNA)
where:
Base-Base interactions energy: -841.502
where: short stacking energy: -392.994
Base-Backbone interact. energy: -1.721
local terms energy: -494.458523
where:
bonds (distance) C4'-P energy: -110.356
bonds (distance) P-C4' energy: -131.265
flat angles C4'-P-C4' energy: -100.990
flat angles P-C4'-P energy: -74.607
tors. eta vs tors. theta energy: -77.241
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: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1159.978600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.978600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.978600 (E_RNA)
where:
Base-Base interactions energy: -697.789
where: short stacking energy: -345.607
Base-Backbone interact. energy: -5.404
local terms energy: -456.786216
where:
bonds (distance) C4'-P energy: -113.514
bonds (distance) P-C4' energy: -116.196
flat angles C4'-P-C4' energy: -108.929
flat angles P-C4'-P energy: -53.965
tors. eta vs tors. theta energy: -64.183
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: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -844.940854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.940854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.940854 (E_RNA)
where:
Base-Base interactions energy: -454.258
where: short stacking energy: -257.646
Base-Backbone interact. energy: -4.008
local terms energy: -386.675393
where:
bonds (distance) C4'-P energy: -99.228
bonds (distance) P-C4' energy: -123.864
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -65.050
tors. eta vs tors. theta energy: 5.586
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: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2651.403961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.403961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.403961 (E_RNA)
where:
Base-Base interactions energy: -1824.559
where: short stacking energy: -810.839
Base-Backbone interact. energy: -4.481
local terms energy: -822.364041
where:
bonds (distance) C4'-P energy: -132.786
bonds (distance) P-C4' energy: -148.036
flat angles C4'-P-C4' energy: -177.277
flat angles P-C4'-P energy: -116.810
tors. eta vs tors. theta energy: -247.456
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: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2559.877838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.877838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.877838 (E_RNA)
where:
Base-Base interactions energy: -1792.190
where: short stacking energy: -744.569
Base-Backbone interact. energy: -3.530
local terms energy: -764.158204
where:
bonds (distance) C4'-P energy: -122.414
bonds (distance) P-C4' energy: -141.939
flat angles C4'-P-C4' energy: -168.508
flat angles P-C4'-P energy: -111.619
tors. eta vs tors. theta energy: -219.678
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: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2516.900590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.900590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.900590 (E_RNA)
where:
Base-Base interactions energy: -1705.527
where: short stacking energy: -786.422
Base-Backbone interact. energy: -4.476
local terms energy: -806.897529
where:
bonds (distance) C4'-P energy: -143.483
bonds (distance) P-C4' energy: -132.490
flat angles C4'-P-C4' energy: -167.884
flat angles P-C4'-P energy: -125.850
tors. eta vs tors. theta energy: -237.190
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: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2298.183471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.183471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.183471 (E_RNA)
where:
Base-Base interactions energy: -1558.583
where: short stacking energy: -659.061
Base-Backbone interact. energy: 0.634
local terms energy: -740.234573
where:
bonds (distance) C4'-P energy: -124.601
bonds (distance) P-C4' energy: -147.229
flat angles C4'-P-C4' energy: -167.455
flat angles P-C4'-P energy: -105.371
tors. eta vs tors. theta energy: -195.578
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: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2224.880194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.880194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.880194 (E_RNA)
where:
Base-Base interactions energy: -1541.262
where: short stacking energy: -680.347
Base-Backbone interact. energy: -2.019
local terms energy: -681.599574
where:
bonds (distance) C4'-P energy: -125.730
bonds (distance) P-C4' energy: -126.521
flat angles C4'-P-C4' energy: -143.979
flat angles P-C4'-P energy: -90.857
tors. eta vs tors. theta energy: -194.512
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: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1952.564960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.564960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.564960 (E_RNA)
where:
Base-Base interactions energy: -1300.978
where: short stacking energy: -590.764
Base-Backbone interact. energy: -1.333
local terms energy: -650.253919
where:
bonds (distance) C4'-P energy: -116.002
bonds (distance) P-C4' energy: -135.488
flat angles C4'-P-C4' energy: -138.728
flat angles P-C4'-P energy: -101.379
tors. eta vs tors. theta energy: -158.657
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: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1708.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.518865 (E_RNA)
where:
Base-Base interactions energy: -1145.552
where: short stacking energy: -489.801
Base-Backbone interact. energy: -3.879
local terms energy: -559.088109
where:
bonds (distance) C4'-P energy: -135.404
bonds (distance) P-C4' energy: -115.297
flat angles C4'-P-C4' energy: -131.820
flat angles P-C4'-P energy: -58.389
tors. eta vs tors. theta energy: -118.178
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: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1363.777662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.777662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.777662 (E_RNA)
where:
Base-Base interactions energy: -873.533
where: short stacking energy: -384.589
Base-Backbone interact. energy: -4.657
local terms energy: -485.588049
where:
bonds (distance) C4'-P energy: -111.462
bonds (distance) P-C4' energy: -126.273
flat angles C4'-P-C4' energy: -120.689
flat angles P-C4'-P energy: -66.142
tors. eta vs tors. theta energy: -61.022
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: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1211.006885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.006885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.006885 (E_RNA)
where:
Base-Base interactions energy: -749.082
where: short stacking energy: -354.830
Base-Backbone interact. energy: -2.139
local terms energy: -459.785394
where:
bonds (distance) C4'-P energy: -107.573
bonds (distance) P-C4' energy: -123.482
flat angles C4'-P-C4' energy: -99.920
flat angles P-C4'-P energy: -60.029
tors. eta vs tors. theta energy: -68.782
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: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -883.644055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.644055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.644055 (E_RNA)
where:
Base-Base interactions energy: -499.258
where: short stacking energy: -265.762
Base-Backbone interact. energy: 5.513
local terms energy: -389.898845
where:
bonds (distance) C4'-P energy: -111.599
bonds (distance) P-C4' energy: -107.441
flat angles C4'-P-C4' energy: -119.193
flat angles P-C4'-P energy: -51.225
tors. eta vs tors. theta energy: -0.441
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: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2650.976314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.976314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.976314 (E_RNA)
where:
Base-Base interactions energy: -1800.370
where: short stacking energy: -800.957
Base-Backbone interact. energy: -3.418
local terms energy: -847.188161
where:
bonds (distance) C4'-P energy: -165.361
bonds (distance) P-C4' energy: -158.775
flat angles C4'-P-C4' energy: -167.055
flat angles P-C4'-P energy: -108.501
tors. eta vs tors. theta energy: -247.496
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: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2560.174230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.174230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.174230 (E_RNA)
where:
Base-Base interactions energy: -1804.126
where: short stacking energy: -747.886
Base-Backbone interact. energy: -2.669
local terms energy: -753.378997
where:
bonds (distance) C4'-P energy: -142.548
bonds (distance) P-C4' energy: -131.606
flat angles C4'-P-C4' energy: -161.335
flat angles P-C4'-P energy: -107.968
tors. eta vs tors. theta energy: -209.922
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: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2475.695885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.695885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.695885 (E_RNA)
where:
Base-Base interactions energy: -1695.138
where: short stacking energy: -748.284
Base-Backbone interact. energy: -3.514
local terms energy: -777.043937
where:
bonds (distance) C4'-P energy: -134.237
bonds (distance) P-C4' energy: -142.355
flat angles C4'-P-C4' energy: -164.307
flat angles P-C4'-P energy: -104.442
tors. eta vs tors. theta energy: -231.703
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: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2257.618419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.618419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.618419 (E_RNA)
where:
Base-Base interactions energy: -1578.557
where: short stacking energy: -640.067
Base-Backbone interact. energy: -2.121
local terms energy: -676.939718
where:
bonds (distance) C4'-P energy: -127.283
bonds (distance) P-C4' energy: -105.224
flat angles C4'-P-C4' energy: -151.771
flat angles P-C4'-P energy: -111.566
tors. eta vs tors. theta energy: -181.095
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: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2256.574544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.574544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.574544 (E_RNA)
where:
Base-Base interactions energy: -1521.832
where: short stacking energy: -682.558
Base-Backbone interact. energy: -3.299
local terms energy: -731.444371
where:
bonds (distance) C4'-P energy: -123.339
bonds (distance) P-C4' energy: -139.439
flat angles C4'-P-C4' energy: -152.006
flat angles P-C4'-P energy: -104.076
tors. eta vs tors. theta energy: -212.585
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: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1927.259193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.259193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.259193 (E_RNA)
where:
Base-Base interactions energy: -1282.172
where: short stacking energy: -581.923
Base-Backbone interact. energy: 1.123
local terms energy: -646.210377
where:
bonds (distance) C4'-P energy: -139.955
bonds (distance) P-C4' energy: -132.758
flat angles C4'-P-C4' energy: -137.808
flat angles P-C4'-P energy: -73.924
tors. eta vs tors. theta energy: -161.766
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: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1707.976013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.976013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.976013 (E_RNA)
where:
Base-Base interactions energy: -1114.119
where: short stacking energy: -476.326
Base-Backbone interact. energy: -2.209
local terms energy: -591.647226
where:
bonds (distance) C4'-P energy: -108.792
bonds (distance) P-C4' energy: -134.485
flat angles C4'-P-C4' energy: -139.774
flat angles P-C4'-P energy: -81.705
tors. eta vs tors. theta energy: -126.891
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: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1371.787069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.787069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.787069 (E_RNA)
where:
Base-Base interactions energy: -859.835
where: short stacking energy: -409.364
Base-Backbone interact. energy: -2.554
local terms energy: -509.398668
where:
bonds (distance) C4'-P energy: -128.839
bonds (distance) P-C4' energy: -127.225
flat angles C4'-P-C4' energy: -115.277
flat angles P-C4'-P energy: -63.222
tors. eta vs tors. theta energy: -74.836
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: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1224.090944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.090944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.090944 (E_RNA)
where:
Base-Base interactions energy: -725.166
where: short stacking energy: -324.513
Base-Backbone interact. energy: -2.841
local terms energy: -496.083957
where:
bonds (distance) C4'-P energy: -110.139
bonds (distance) P-C4' energy: -117.582
flat angles C4'-P-C4' energy: -133.055
flat angles P-C4'-P energy: -82.692
tors. eta vs tors. theta energy: -52.616
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: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -889.678633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.678633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.678633 (E_RNA)
where:
Base-Base interactions energy: -473.465
where: short stacking energy: -263.002
Base-Backbone interact. energy: -3.399
local terms energy: -412.814490
where:
bonds (distance) C4'-P energy: -104.944
bonds (distance) P-C4' energy: -119.996
flat angles C4'-P-C4' energy: -109.080
flat angles P-C4'-P energy: -60.037
tors. eta vs tors. theta energy: -18.757
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: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2656.021124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.021124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.021124 (E_RNA)
where:
Base-Base interactions energy: -1822.126
where: short stacking energy: -821.130
Base-Backbone interact. energy: -4.333
local terms energy: -829.562216
where:
bonds (distance) C4'-P energy: -145.849
bonds (distance) P-C4' energy: -142.935
flat angles C4'-P-C4' energy: -168.396
flat angles P-C4'-P energy: -119.437
tors. eta vs tors. theta energy: -252.945
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: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2564.152145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.152145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.152145 (E_RNA)
where:
Base-Base interactions energy: -1775.176
where: short stacking energy: -756.322
Base-Backbone interact. energy: -4.508
local terms energy: -784.467863
where:
bonds (distance) C4'-P energy: -141.246
bonds (distance) P-C4' energy: -142.435
flat angles C4'-P-C4' energy: -162.700
flat angles P-C4'-P energy: -118.940
tors. eta vs tors. theta energy: -219.147
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: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2480.840181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.840181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.840181 (E_RNA)
where:
Base-Base interactions energy: -1702.847
where: short stacking energy: -746.735
Base-Backbone interact. energy: -0.249
local terms energy: -777.743945
where:
bonds (distance) C4'-P energy: -125.774
bonds (distance) P-C4' energy: -140.551
flat angles C4'-P-C4' energy: -172.183
flat angles P-C4'-P energy: -105.003
tors. eta vs tors. theta energy: -234.233
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: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2305.206232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.206232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.206232 (E_RNA)
where:
Base-Base interactions energy: -1615.819
where: short stacking energy: -679.103
Base-Backbone interact. energy: -2.331
local terms energy: -687.055999
where:
bonds (distance) C4'-P energy: -130.053
bonds (distance) P-C4' energy: -131.766
flat angles C4'-P-C4' energy: -154.396
flat angles P-C4'-P energy: -87.405
tors. eta vs tors. theta energy: -183.435
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: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2216.764904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.764904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.764904 (E_RNA)
where:
Base-Base interactions energy: -1547.678
where: short stacking energy: -672.615
Base-Backbone interact. energy: -0.054
local terms energy: -669.032343
where:
bonds (distance) C4'-P energy: -127.099
bonds (distance) P-C4' energy: -125.553
flat angles C4'-P-C4' energy: -153.052
flat angles P-C4'-P energy: -88.890
tors. eta vs tors. theta energy: -174.437
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: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1961.491166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.491166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.491166 (E_RNA)
where:
Base-Base interactions energy: -1285.927
where: short stacking energy: -562.176
Base-Backbone interact. energy: -1.844
local terms energy: -673.720478
where:
bonds (distance) C4'-P energy: -131.632
bonds (distance) P-C4' energy: -133.017
flat angles C4'-P-C4' energy: -146.127
flat angles P-C4'-P energy: -100.387
tors. eta vs tors. theta energy: -162.558
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: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1750.848806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.848806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.848806 (E_RNA)
where:
Base-Base interactions energy: -1158.589
where: short stacking energy: -489.714
Base-Backbone interact. energy: 0.787
local terms energy: -593.047130
where:
bonds (distance) C4'-P energy: -129.848
bonds (distance) P-C4' energy: -128.020
flat angles C4'-P-C4' energy: -132.804
flat angles P-C4'-P energy: -78.095
tors. eta vs tors. theta energy: -124.280
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: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1314.964423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.964423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.964423 (E_RNA)
where:
Base-Base interactions energy: -810.771
where: short stacking energy: -413.937
Base-Backbone interact. energy: -2.031
local terms energy: -502.162539
where:
bonds (distance) C4'-P energy: -110.193
bonds (distance) P-C4' energy: -121.560
flat angles C4'-P-C4' energy: -114.113
flat angles P-C4'-P energy: -77.116
tors. eta vs tors. theta energy: -79.181
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: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1234.544105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.544105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.544105 (E_RNA)
where:
Base-Base interactions energy: -745.736
where: short stacking energy: -363.501
Base-Backbone interact. energy: 0.304
local terms energy: -489.112037
where:
bonds (distance) C4'-P energy: -96.419
bonds (distance) P-C4' energy: -144.439
flat angles C4'-P-C4' energy: -109.709
flat angles P-C4'-P energy: -64.688
tors. eta vs tors. theta energy: -73.857
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: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -879.743763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.743763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.743763 (E_RNA)
where:
Base-Base interactions energy: -481.884
where: short stacking energy: -211.714
Base-Backbone interact. energy: -0.555
local terms energy: -397.304642
where:
bonds (distance) C4'-P energy: -116.823
bonds (distance) P-C4' energy: -102.843
flat angles C4'-P-C4' energy: -97.761
flat angles P-C4'-P energy: -73.444
tors. eta vs tors. theta energy: -6.434
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: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2644.059188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.059188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.059188 (E_RNA)
where:
Base-Base interactions energy: -1816.099
where: short stacking energy: -786.605
Base-Backbone interact. energy: -3.658
local terms energy: -824.302461
where:
bonds (distance) C4'-P energy: -142.979
bonds (distance) P-C4' energy: -157.739
flat angles C4'-P-C4' energy: -171.632
flat angles P-C4'-P energy: -110.888
tors. eta vs tors. theta energy: -241.065
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: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2568.914223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.914223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.914223 (E_RNA)
where:
Base-Base interactions energy: -1809.028
where: short stacking energy: -772.397
Base-Backbone interact. energy: -2.178
local terms energy: -757.708139
where:
bonds (distance) C4'-P energy: -136.487
bonds (distance) P-C4' energy: -132.358
flat angles C4'-P-C4' energy: -162.450
flat angles P-C4'-P energy: -111.953
tors. eta vs tors. theta energy: -214.459
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: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2481.451575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.451575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.451575 (E_RNA)
where:
Base-Base interactions energy: -1707.207
where: short stacking energy: -759.738
Base-Backbone interact. energy: -1.728
local terms energy: -772.516045
where:
bonds (distance) C4'-P energy: -137.278
bonds (distance) P-C4' energy: -144.033
flat angles C4'-P-C4' energy: -154.256
flat angles P-C4'-P energy: -113.673
tors. eta vs tors. theta energy: -223.276
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: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2324.734933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.734933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.734933 (E_RNA)
where:
Base-Base interactions energy: -1604.747
where: short stacking energy: -704.456
Base-Backbone interact. energy: -1.017
local terms energy: -718.971643
where:
bonds (distance) C4'-P energy: -131.145
bonds (distance) P-C4' energy: -131.988
flat angles C4'-P-C4' energy: -160.054
flat angles P-C4'-P energy: -96.857
tors. eta vs tors. theta energy: -198.928
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: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2261.356161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.356161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.356161 (E_RNA)
where:
Base-Base interactions energy: -1544.410
where: short stacking energy: -655.406
Base-Backbone interact. energy: 0.348
local terms energy: -717.294352
where:
bonds (distance) C4'-P energy: -130.664
bonds (distance) P-C4' energy: -134.594
flat angles C4'-P-C4' energy: -153.228
flat angles P-C4'-P energy: -92.617
tors. eta vs tors. theta energy: -206.191
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: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1925.788006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.788006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.788006 (E_RNA)
where:
Base-Base interactions energy: -1275.386
where: short stacking energy: -559.039
Base-Backbone interact. energy: -1.082
local terms energy: -649.320452
where:
bonds (distance) C4'-P energy: -111.560
bonds (distance) P-C4' energy: -129.157
flat angles C4'-P-C4' energy: -147.031
flat angles P-C4'-P energy: -95.698
tors. eta vs tors. theta energy: -165.874
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: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1650.223857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.223857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.223857 (E_RNA)
where:
Base-Base interactions energy: -1072.623
where: short stacking energy: -452.904
Base-Backbone interact. energy: -2.495
local terms energy: -575.106274
where:
bonds (distance) C4'-P energy: -122.163
bonds (distance) P-C4' energy: -134.745
flat angles C4'-P-C4' energy: -130.740
flat angles P-C4'-P energy: -87.957
tors. eta vs tors. theta energy: -99.502
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: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1275.668156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.668156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.668156 (E_RNA)
where:
Base-Base interactions energy: -791.680
where: short stacking energy: -360.804
Base-Backbone interact. energy: -0.815
local terms energy: -483.173228
where:
bonds (distance) C4'-P energy: -111.483
bonds (distance) P-C4' energy: -129.459
flat angles C4'-P-C4' energy: -122.215
flat angles P-C4'-P energy: -55.912
tors. eta vs tors. theta energy: -64.104
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: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1215.874019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.874019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.874019 (E_RNA)
where:
Base-Base interactions energy: -747.630
where: short stacking energy: -321.104
Base-Backbone interact. energy: 1.898
local terms energy: -470.142361
where:
bonds (distance) C4'-P energy: -109.499
bonds (distance) P-C4' energy: -130.076
flat angles C4'-P-C4' energy: -121.772
flat angles P-C4'-P energy: -78.568
tors. eta vs tors. theta energy: -30.226
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: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -872.385152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.385152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.385152 (E_RNA)
where:
Base-Base interactions energy: -430.914
where: short stacking energy: -230.038
Base-Backbone interact. energy: 0.782
local terms energy: -442.253328
where:
bonds (distance) C4'-P energy: -139.906
bonds (distance) P-C4' energy: -118.277
flat angles C4'-P-C4' energy: -115.522
flat angles P-C4'-P energy: -64.766
tors. eta vs tors. theta energy: -3.782
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: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2641.670042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.670042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.670042 (E_RNA)
where:
Base-Base interactions energy: -1832.658
where: short stacking energy: -806.917
Base-Backbone interact. energy: -1.172
local terms energy: -807.840924
where:
bonds (distance) C4'-P energy: -136.572
bonds (distance) P-C4' energy: -141.945
flat angles C4'-P-C4' energy: -167.399
flat angles P-C4'-P energy: -120.880
tors. eta vs tors. theta energy: -241.045
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: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2532.863743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.863743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.863743 (E_RNA)
where:
Base-Base interactions energy: -1749.269
where: short stacking energy: -731.884
Base-Backbone interact. energy: -1.502
local terms energy: -782.092724
where:
bonds (distance) C4'-P energy: -142.215
bonds (distance) P-C4' energy: -138.399
flat angles C4'-P-C4' energy: -171.368
flat angles P-C4'-P energy: -108.063
tors. eta vs tors. theta energy: -222.049
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: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2473.617570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.617570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.617570 (E_RNA)
where:
Base-Base interactions energy: -1692.591
where: short stacking energy: -732.827
Base-Backbone interact. energy: -3.341
local terms energy: -777.684794
where:
bonds (distance) C4'-P energy: -126.685
bonds (distance) P-C4' energy: -151.741
flat angles C4'-P-C4' energy: -159.727
flat angles P-C4'-P energy: -114.782
tors. eta vs tors. theta energy: -224.749
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: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2317.616545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.616545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.616545 (E_RNA)
where:
Base-Base interactions energy: -1615.958
where: short stacking energy: -668.060
Base-Backbone interact. energy: -0.802
local terms energy: -700.857270
where:
bonds (distance) C4'-P energy: -136.644
bonds (distance) P-C4' energy: -139.565
flat angles C4'-P-C4' energy: -142.438
flat angles P-C4'-P energy: -101.479
tors. eta vs tors. theta energy: -180.732
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: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2287.943165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.943165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.943165 (E_RNA)
where:
Base-Base interactions energy: -1586.493
where: short stacking energy: -681.993
Base-Backbone interact. energy: -2.006
local terms energy: -699.443905
where:
bonds (distance) C4'-P energy: -111.903
bonds (distance) P-C4' energy: -119.737
flat angles C4'-P-C4' energy: -150.990
flat angles P-C4'-P energy: -109.658
tors. eta vs tors. theta energy: -207.156
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: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1929.317088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.317088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.317088 (E_RNA)
where:
Base-Base interactions energy: -1289.761
where: short stacking energy: -590.984
Base-Backbone interact. energy: -0.591
local terms energy: -638.965668
where:
bonds (distance) C4'-P energy: -110.251
bonds (distance) P-C4' energy: -128.137
flat angles C4'-P-C4' energy: -134.179
flat angles P-C4'-P energy: -106.521
tors. eta vs tors. theta energy: -159.879
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: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1712.075687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.075687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.075687 (E_RNA)
where:
Base-Base interactions energy: -1126.500
where: short stacking energy: -504.946
Base-Backbone interact. energy: -1.408
local terms energy: -584.168015
where:
bonds (distance) C4'-P energy: -114.175
bonds (distance) P-C4' energy: -128.108
flat angles C4'-P-C4' energy: -115.741
flat angles P-C4'-P energy: -101.749
tors. eta vs tors. theta energy: -124.395
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: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1219.259207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.259207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.259207 (E_RNA)
where:
Base-Base interactions energy: -705.876
where: short stacking energy: -365.640
Base-Backbone interact. energy: -0.076
local terms energy: -513.307780
where:
bonds (distance) C4'-P energy: -116.953
bonds (distance) P-C4' energy: -133.606
flat angles C4'-P-C4' energy: -108.989
flat angles P-C4'-P energy: -82.191
tors. eta vs tors. theta energy: -71.568
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: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1232.308379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.308379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.308379 (E_RNA)
where:
Base-Base interactions energy: -766.421
where: short stacking energy: -357.513
Base-Backbone interact. energy: -2.018
local terms energy: -463.869771
where:
bonds (distance) C4'-P energy: -109.886
bonds (distance) P-C4' energy: -120.339
flat angles C4'-P-C4' energy: -117.205
flat angles P-C4'-P energy: -58.098
tors. eta vs tors. theta energy: -58.342
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: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -803.398676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.398676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.398676 (E_RNA)
where:
Base-Base interactions energy: -394.973
where: short stacking energy: -210.779
Base-Backbone interact. energy: 4.507
local terms energy: -412.932748
where:
bonds (distance) C4'-P energy: -116.193
bonds (distance) P-C4' energy: -130.379
flat angles C4'-P-C4' energy: -103.615
flat angles P-C4'-P energy: -59.216
tors. eta vs tors. theta energy: -3.530
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: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2623.073749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.073749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.073749 (E_RNA)
where:
Base-Base interactions energy: -1782.606
where: short stacking energy: -793.678
Base-Backbone interact. energy: -2.061
local terms energy: -838.406847
where:
bonds (distance) C4'-P energy: -141.423
bonds (distance) P-C4' energy: -140.286
flat angles C4'-P-C4' energy: -186.423
flat angles P-C4'-P energy: -126.317
tors. eta vs tors. theta energy: -243.958
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: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2552.987396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.987396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.987396 (E_RNA)
where:
Base-Base interactions energy: -1781.120
where: short stacking energy: -732.331
Base-Backbone interact. energy: -3.046
local terms energy: -768.821291
where:
bonds (distance) C4'-P energy: -133.064
bonds (distance) P-C4' energy: -130.896
flat angles C4'-P-C4' energy: -166.254
flat angles P-C4'-P energy: -124.023
tors. eta vs tors. theta energy: -214.584
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: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2494.424584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.424584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.424584 (E_RNA)
where:
Base-Base interactions energy: -1740.438
where: short stacking energy: -767.413
Base-Backbone interact. energy: -4.099
local terms energy: -749.887631
where:
bonds (distance) C4'-P energy: -122.331
bonds (distance) P-C4' energy: -142.469
flat angles C4'-P-C4' energy: -160.309
flat angles P-C4'-P energy: -100.386
tors. eta vs tors. theta energy: -224.392
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: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2352.444454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.444454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.444454 (E_RNA)
where:
Base-Base interactions energy: -1629.727
where: short stacking energy: -692.386
Base-Backbone interact. energy: -0.886
local terms energy: -721.831281
where:
bonds (distance) C4'-P energy: -138.319
bonds (distance) P-C4' energy: -137.778
flat angles C4'-P-C4' energy: -158.349
flat angles P-C4'-P energy: -96.346
tors. eta vs tors. theta energy: -191.040
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: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2283.768205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.768205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.768205 (E_RNA)
where:
Base-Base interactions energy: -1579.968
where: short stacking energy: -669.805
Base-Backbone interact. energy: -4.008
local terms energy: -699.792100
where:
bonds (distance) C4'-P energy: -127.312
bonds (distance) P-C4' energy: -116.671
flat angles C4'-P-C4' energy: -158.146
flat angles P-C4'-P energy: -92.187
tors. eta vs tors. theta energy: -205.476
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: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1958.562714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.562714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.562714 (E_RNA)
where:
Base-Base interactions energy: -1298.337
where: short stacking energy: -580.937
Base-Backbone interact. energy: 1.716
local terms energy: -661.942592
where:
bonds (distance) C4'-P energy: -136.567
bonds (distance) P-C4' energy: -125.254
flat angles C4'-P-C4' energy: -157.455
flat angles P-C4'-P energy: -81.587
tors. eta vs tors. theta energy: -161.079
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: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1726.004405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.004405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.004405 (E_RNA)
where:
Base-Base interactions energy: -1120.343
where: short stacking energy: -494.085
Base-Backbone interact. energy: 0.536
local terms energy: -606.197668
where:
bonds (distance) C4'-P energy: -135.176
bonds (distance) P-C4' energy: -138.026
flat angles C4'-P-C4' energy: -139.819
flat angles P-C4'-P energy: -77.715
tors. eta vs tors. theta energy: -115.463
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: 368
Temperature: 1.250000
Total energy: -1274.678891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.678891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.678891 (E_RNA)
where:
Base-Base interactions energy: -777.270
where: short stacking energy: -379.038
Base-Backbone interact. energy: 4.093
local terms energy: -501.501968
where:
bonds (distance) C4'-P energy: -117.577
bonds (distance) P-C4' energy: -116.031
flat angles C4'-P-C4' energy: -121.784
flat angles P-C4'-P energy: -75.781
tors. eta vs tors. theta energy: -70.329
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: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1129.471131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.471131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.471131 (E_RNA)
where:
Base-Base interactions energy: -688.593
where: short stacking energy: -310.271
Base-Backbone interact. energy: 2.740
local terms energy: -443.617599
where:
bonds (distance) C4'-P energy: -109.543
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -107.000
flat angles P-C4'-P energy: -72.362
tors. eta vs tors. theta energy: -38.847
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: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -780.282075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.282075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.282075 (E_RNA)
where:
Base-Base interactions energy: -403.239
where: short stacking energy: -214.204
Base-Backbone interact. energy: 3.377
local terms energy: -380.420042
where:
bonds (distance) C4'-P energy: -124.880
bonds (distance) P-C4' energy: -119.454
flat angles C4'-P-C4' energy: -87.196
flat angles P-C4'-P energy: -57.848
tors. eta vs tors. theta energy: 8.958
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: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2626.660069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.660069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.660069 (E_RNA)
where:
Base-Base interactions energy: -1783.410
where: short stacking energy: -789.954
Base-Backbone interact. energy: -2.073
local terms energy: -841.176252
where:
bonds (distance) C4'-P energy: -145.080
bonds (distance) P-C4' energy: -150.839
flat angles C4'-P-C4' energy: -174.652
flat angles P-C4'-P energy: -130.668
tors. eta vs tors. theta energy: -239.939
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: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2535.353786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.353786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.353786 (E_RNA)
where:
Base-Base interactions energy: -1769.992
where: short stacking energy: -741.033
Base-Backbone interact. energy: -2.236
local terms energy: -763.125006
where:
bonds (distance) C4'-P energy: -142.763
bonds (distance) P-C4' energy: -139.019
flat angles C4'-P-C4' energy: -156.715
flat angles P-C4'-P energy: -106.566
tors. eta vs tors. theta energy: -218.062
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: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2477.092294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.092294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.092294 (E_RNA)
where:
Base-Base interactions energy: -1686.525
where: short stacking energy: -727.953
Base-Backbone interact. energy: -0.295
local terms energy: -790.272820
where:
bonds (distance) C4'-P energy: -137.568
bonds (distance) P-C4' energy: -147.039
flat angles C4'-P-C4' energy: -163.145
flat angles P-C4'-P energy: -113.232
tors. eta vs tors. theta energy: -229.288
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: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2385.424970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.424970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.424970 (E_RNA)
where:
Base-Base interactions energy: -1655.334
where: short stacking energy: -721.634
Base-Backbone interact. energy: -2.498
local terms energy: -727.593610
where:
bonds (distance) C4'-P energy: -139.371
bonds (distance) P-C4' energy: -137.012
flat angles C4'-P-C4' energy: -132.951
flat angles P-C4'-P energy: -96.525
tors. eta vs tors. theta energy: -221.734
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: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2320.761867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.761867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.761867 (E_RNA)
where:
Base-Base interactions energy: -1649.998
where: short stacking energy: -675.866
Base-Backbone interact. energy: -1.726
local terms energy: -669.038383
where:
bonds (distance) C4'-P energy: -123.059
bonds (distance) P-C4' energy: -137.598
flat angles C4'-P-C4' energy: -136.440
flat angles P-C4'-P energy: -81.094
tors. eta vs tors. theta energy: -190.848
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: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1902.690616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.690616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.690616 (E_RNA)
where:
Base-Base interactions energy: -1300.290
where: short stacking energy: -579.155
Base-Backbone interact. energy: -1.316
local terms energy: -601.084343
where:
bonds (distance) C4'-P energy: -129.190
bonds (distance) P-C4' energy: -111.988
flat angles C4'-P-C4' energy: -138.481
flat angles P-C4'-P energy: -76.610
tors. eta vs tors. theta energy: -144.817
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: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1673.178557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.178557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.178557 (E_RNA)
where:
Base-Base interactions energy: -1062.651
where: short stacking energy: -468.123
Base-Backbone interact. energy: -2.613
local terms energy: -607.914269
where:
bonds (distance) C4'-P energy: -131.820
bonds (distance) P-C4' energy: -135.676
flat angles C4'-P-C4' energy: -146.286
flat angles P-C4'-P energy: -88.803
tors. eta vs tors. theta energy: -105.329
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: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1320.276494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.276494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.276494 (E_RNA)
where:
Base-Base interactions energy: -821.694
where: short stacking energy: -390.152
Base-Backbone interact. energy: -3.255
local terms energy: -495.327242
where:
bonds (distance) C4'-P energy: -108.282
bonds (distance) P-C4' energy: -127.377
flat angles C4'-P-C4' energy: -124.505
flat angles P-C4'-P energy: -65.769
tors. eta vs tors. theta energy: -69.393
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: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1227.331627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.331627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.331627 (E_RNA)
where:
Base-Base interactions energy: -747.739
where: short stacking energy: -366.257
Base-Backbone interact. energy: -0.920
local terms energy: -478.673578
where:
bonds (distance) C4'-P energy: -110.236
bonds (distance) P-C4' energy: -121.548
flat angles C4'-P-C4' energy: -119.906
flat angles P-C4'-P energy: -50.832
tors. eta vs tors. theta energy: -76.152
Dist. restrs. and SS energy: 0.000 (S_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: 369
Temperature: 1.350000
Total energy: -762.102911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.102911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.102911 (E_RNA)
where:
Base-Base interactions energy: -360.028
where: short stacking energy: -203.674
Base-Backbone interact. energy: 9.276
local terms energy: -411.350661
where:
bonds (distance) C4'-P energy: -138.545
bonds (distance) P-C4' energy: -113.948
flat angles C4'-P-C4' energy: -112.291
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -3.145
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: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2655.859249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.859249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.859249 (E_RNA)
where:
Base-Base interactions energy: -1848.218
where: short stacking energy: -802.441
Base-Backbone interact. energy: -2.931
local terms energy: -804.710829
where:
bonds (distance) C4'-P energy: -148.854
bonds (distance) P-C4' energy: -138.503
flat angles C4'-P-C4' energy: -165.139
flat angles P-C4'-P energy: -120.236
tors. eta vs tors. theta energy: -231.979
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: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2536.650867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.650867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.650867 (E_RNA)
where:
Base-Base interactions energy: -1758.558
where: short stacking energy: -719.782
Base-Backbone interact. energy: -4.194
local terms energy: -773.898573
where:
bonds (distance) C4'-P energy: -133.380
bonds (distance) P-C4' energy: -156.417
flat angles C4'-P-C4' energy: -159.335
flat angles P-C4'-P energy: -113.224
tors. eta vs tors. theta energy: -211.542
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2498.270604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.270604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.270604 (E_RNA)
where:
Base-Base interactions energy: -1705.090
where: short stacking energy: -751.939
Base-Backbone interact. energy: -1.198
local terms energy: -791.982722
where:
bonds (distance) C4'-P energy: -131.901
bonds (distance) P-C4' energy: -148.861
flat angles C4'-P-C4' energy: -159.164
flat angles P-C4'-P energy: -117.044
tors. eta vs tors. theta energy: -235.014
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: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2368.626539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.626539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.626539 (E_RNA)
where:
Base-Base interactions energy: -1623.697
where: short stacking energy: -698.794
Base-Backbone interact. energy: 0.632
local terms energy: -745.561601
where:
bonds (distance) C4'-P energy: -131.939
bonds (distance) P-C4' energy: -128.395
flat angles C4'-P-C4' energy: -159.647
flat angles P-C4'-P energy: -104.203
tors. eta vs tors. theta energy: -221.378
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: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2259.195980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.195980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.195980 (E_RNA)
where:
Base-Base interactions energy: -1546.796
where: short stacking energy: -634.981
Base-Backbone interact. energy: -7.135
local terms energy: -705.264581
where:
bonds (distance) C4'-P energy: -132.070
bonds (distance) P-C4' energy: -138.145
flat angles C4'-P-C4' energy: -156.334
flat angles P-C4'-P energy: -89.121
tors. eta vs tors. theta energy: -189.595
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: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1914.418973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.418973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.418973 (E_RNA)
where:
Base-Base interactions energy: -1291.612
where: short stacking energy: -541.668
Base-Backbone interact. energy: -2.736
local terms energy: -620.070634
where:
bonds (distance) C4'-P energy: -122.840
bonds (distance) P-C4' energy: -134.365
flat angles C4'-P-C4' energy: -134.885
flat angles P-C4'-P energy: -97.542
tors. eta vs tors. theta energy: -130.438
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: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1671.856154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.856154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.856154 (E_RNA)
where:
Base-Base interactions energy: -1116.701
where: short stacking energy: -495.858
Base-Backbone interact. energy: -4.671
local terms energy: -550.484198
where:
bonds (distance) C4'-P energy: -129.563
bonds (distance) P-C4' energy: -111.374
flat angles C4'-P-C4' energy: -126.754
flat angles P-C4'-P energy: -67.657
tors. eta vs tors. theta energy: -115.137
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: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1266.393647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.393647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.393647 (E_RNA)
where:
Base-Base interactions energy: -760.039
where: short stacking energy: -358.849
Base-Backbone interact. energy: -2.103
local terms energy: -504.251983
where:
bonds (distance) C4'-P energy: -112.996
bonds (distance) P-C4' energy: -120.007
flat angles C4'-P-C4' energy: -129.052
flat angles P-C4'-P energy: -81.491
tors. eta vs tors. theta energy: -60.706
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: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1209.515268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.515268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.515268 (E_RNA)
where:
Base-Base interactions energy: -758.765
where: short stacking energy: -372.801
Base-Backbone interact. energy: -2.996
local terms energy: -447.754356
where:
bonds (distance) C4'-P energy: -106.110
bonds (distance) P-C4' energy: -120.377
flat angles C4'-P-C4' energy: -115.442
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -53.278
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: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -831.239154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.239154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.239154 (E_RNA)
where:
Base-Base interactions energy: -422.092
where: short stacking energy: -218.490
Base-Backbone interact. energy: 5.158
local terms energy: -414.305222
where:
bonds (distance) C4'-P energy: -122.693
bonds (distance) P-C4' energy: -139.735
flat angles C4'-P-C4' energy: -109.347
flat angles P-C4'-P energy: -59.406
tors. eta vs tors. theta energy: 16.876
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: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2632.551044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.551044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.551044 (E_RNA)
where:
Base-Base interactions energy: -1813.159
where: short stacking energy: -799.435
Base-Backbone interact. energy: -3.886
local terms energy: -815.506379
where:
bonds (distance) C4'-P energy: -131.853
bonds (distance) P-C4' energy: -148.704
flat angles C4'-P-C4' energy: -175.466
flat angles P-C4'-P energy: -121.096
tors. eta vs tors. theta energy: -238.387
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: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2543.316509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.316509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.316509 (E_RNA)
where:
Base-Base interactions energy: -1781.871
where: short stacking energy: -737.486
Base-Backbone interact. energy: -0.411
local terms energy: -761.034734
where:
bonds (distance) C4'-P energy: -153.150
bonds (distance) P-C4' energy: -126.791
flat angles C4'-P-C4' energy: -164.401
flat angles P-C4'-P energy: -88.134
tors. eta vs tors. theta energy: -228.559
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: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2512.786735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.786735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.786735 (E_RNA)
where:
Base-Base interactions energy: -1718.405
where: short stacking energy: -734.519
Base-Backbone interact. energy: -6.158
local terms energy: -788.223585
where:
bonds (distance) C4'-P energy: -134.592
bonds (distance) P-C4' energy: -158.435
flat angles C4'-P-C4' energy: -162.039
flat angles P-C4'-P energy: -107.658
tors. eta vs tors. theta energy: -225.499
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: 371
Temperature: 1.050000
Total energy: -2363.654345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.654345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.654345 (E_RNA)
where:
Base-Base interactions energy: -1638.847
where: short stacking energy: -714.005
Base-Backbone interact. energy: -0.220
local terms energy: -724.587908
where:
bonds (distance) C4'-P energy: -130.302
bonds (distance) P-C4' energy: -119.415
flat angles C4'-P-C4' energy: -151.787
flat angles P-C4'-P energy: -106.294
tors. eta vs tors. theta energy: -216.789
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: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2205.346072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.346072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.346072 (E_RNA)
where:
Base-Base interactions energy: -1508.814
where: short stacking energy: -645.431
Base-Backbone interact. energy: -0.665
local terms energy: -695.866714
where:
bonds (distance) C4'-P energy: -126.800
bonds (distance) P-C4' energy: -137.976
flat angles C4'-P-C4' energy: -147.762
flat angles P-C4'-P energy: -99.055
tors. eta vs tors. theta energy: -184.275
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: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1947.040307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.040307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.040307 (E_RNA)
where:
Base-Base interactions energy: -1295.341
where: short stacking energy: -574.812
Base-Backbone interact. energy: -0.318
local terms energy: -651.380811
where:
bonds (distance) C4'-P energy: -136.113
bonds (distance) P-C4' energy: -111.128
flat angles C4'-P-C4' energy: -142.734
flat angles P-C4'-P energy: -98.490
tors. eta vs tors. theta energy: -162.916
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: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1628.337425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.337425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.337425 (E_RNA)
where:
Base-Base interactions energy: -1068.511
where: short stacking energy: -495.601
Base-Backbone interact. energy: 5.003
local terms energy: -564.829674
where:
bonds (distance) C4'-P energy: -129.270
bonds (distance) P-C4' energy: -127.748
flat angles C4'-P-C4' energy: -137.671
flat angles P-C4'-P energy: -67.710
tors. eta vs tors. theta energy: -102.431
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: 371
Temperature: 1.250000
Total energy: -1261.178965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.178965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.178965 (E_RNA)
where:
Base-Base interactions energy: -777.998
where: short stacking energy: -368.004
Base-Backbone interact. energy: 1.025
local terms energy: -484.206754
where:
bonds (distance) C4'-P energy: -127.882
bonds (distance) P-C4' energy: -113.663
flat angles C4'-P-C4' energy: -118.525
flat angles P-C4'-P energy: -77.982
tors. eta vs tors. theta energy: -46.154
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: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1150.428761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.428761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.428761 (E_RNA)
where:
Base-Base interactions energy: -731.331
where: short stacking energy: -343.064
Base-Backbone interact. energy: -0.656
local terms energy: -418.442288
where:
bonds (distance) C4'-P energy: -115.507
bonds (distance) P-C4' energy: -106.532
flat angles C4'-P-C4' energy: -95.702
flat angles P-C4'-P energy: -46.748
tors. eta vs tors. theta energy: -53.953
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: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -812.839377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.839377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.839377 (E_RNA)
where:
Base-Base interactions energy: -420.544
where: short stacking energy: -242.693
Base-Backbone interact. energy: -2.291
local terms energy: -390.004511
where:
bonds (distance) C4'-P energy: -104.475
bonds (distance) P-C4' energy: -123.045
flat angles C4'-P-C4' energy: -107.733
flat angles P-C4'-P energy: -35.408
tors. eta vs tors. theta energy: -19.344
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: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2657.345616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.345616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.345616 (E_RNA)
where:
Base-Base interactions energy: -1827.197
where: short stacking energy: -806.628
Base-Backbone interact. energy: -1.359
local terms energy: -828.789521
where:
bonds (distance) C4'-P energy: -152.707
bonds (distance) P-C4' energy: -149.463
flat angles C4'-P-C4' energy: -168.032
flat angles P-C4'-P energy: -112.856
tors. eta vs tors. theta energy: -245.731
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2579.541118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.541118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.541118 (E_RNA)
where:
Base-Base interactions energy: -1790.670
where: short stacking energy: -741.165
Base-Backbone interact. energy: 3.932
local terms energy: -792.803473
where:
bonds (distance) C4'-P energy: -141.975
bonds (distance) P-C4' energy: -154.589
flat angles C4'-P-C4' energy: -159.138
flat angles P-C4'-P energy: -105.435
tors. eta vs tors. theta energy: -231.666
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: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2466.180018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.180018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.180018 (E_RNA)
where:
Base-Base interactions energy: -1711.508
where: short stacking energy: -748.961
Base-Backbone interact. energy: -2.639
local terms energy: -752.033535
where:
bonds (distance) C4'-P energy: -143.408
bonds (distance) P-C4' energy: -131.347
flat angles C4'-P-C4' energy: -160.448
flat angles P-C4'-P energy: -96.563
tors. eta vs tors. theta energy: -220.268
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: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2332.095009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.095009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.095009 (E_RNA)
where:
Base-Base interactions energy: -1603.585
where: short stacking energy: -701.275
Base-Backbone interact. energy: -2.759
local terms energy: -725.750709
where:
bonds (distance) C4'-P energy: -141.920
bonds (distance) P-C4' energy: -146.449
flat angles C4'-P-C4' energy: -129.172
flat angles P-C4'-P energy: -98.482
tors. eta vs tors. theta energy: -209.728
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: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2248.830466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.830466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.830466 (E_RNA)
where:
Base-Base interactions energy: -1563.166
where: short stacking energy: -647.863
Base-Backbone interact. energy: -2.388
local terms energy: -683.276529
where:
bonds (distance) C4'-P energy: -111.069
bonds (distance) P-C4' energy: -137.042
flat angles C4'-P-C4' energy: -146.670
flat angles P-C4'-P energy: -98.559
tors. eta vs tors. theta energy: -189.937
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: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1939.158456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.158456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.158456 (E_RNA)
where:
Base-Base interactions energy: -1297.096
where: short stacking energy: -575.631
Base-Backbone interact. energy: -0.580
local terms energy: -641.482362
where:
bonds (distance) C4'-P energy: -128.417
bonds (distance) P-C4' energy: -122.316
flat angles C4'-P-C4' energy: -141.368
flat angles P-C4'-P energy: -97.649
tors. eta vs tors. theta energy: -151.733
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: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1675.218297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.218297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.218297 (E_RNA)
where:
Base-Base interactions energy: -1128.654
where: short stacking energy: -454.970
Base-Backbone interact. energy: -4.078
local terms energy: -542.486348
where:
bonds (distance) C4'-P energy: -120.369
bonds (distance) P-C4' energy: -117.270
flat angles C4'-P-C4' energy: -130.034
flat angles P-C4'-P energy: -73.482
tors. eta vs tors. theta energy: -101.332
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: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1193.511416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.511416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.511416 (E_RNA)
where:
Base-Base interactions energy: -680.162
where: short stacking energy: -350.777
Base-Backbone interact. energy: -3.001
local terms energy: -510.348310
where:
bonds (distance) C4'-P energy: -121.351
bonds (distance) P-C4' energy: -108.726
flat angles C4'-P-C4' energy: -133.330
flat angles P-C4'-P energy: -78.145
tors. eta vs tors. theta energy: -68.795
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: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1111.936430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.936430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.936430 (E_RNA)
where:
Base-Base interactions energy: -647.776
where: short stacking energy: -324.028
Base-Backbone interact. energy: 0.242
local terms energy: -464.401961
where:
bonds (distance) C4'-P energy: -118.010
bonds (distance) P-C4' energy: -134.876
flat angles C4'-P-C4' energy: -132.807
flat angles P-C4'-P energy: -44.556
tors. eta vs tors. theta energy: -34.153
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: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -812.433913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.433913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.433913 (E_RNA)
where:
Base-Base interactions energy: -422.891
where: short stacking energy: -228.694
Base-Backbone interact. energy: 8.997
local terms energy: -398.540539
where:
bonds (distance) C4'-P energy: -130.091
bonds (distance) P-C4' energy: -123.059
flat angles C4'-P-C4' energy: -76.123
flat angles P-C4'-P energy: -54.481
tors. eta vs tors. theta energy: -14.786
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: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2644.135956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.135956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.135956 (E_RNA)
where:
Base-Base interactions energy: -1823.014
where: short stacking energy: -806.337
Base-Backbone interact. energy: -5.913
local terms energy: -815.209002
where:
bonds (distance) C4'-P energy: -145.423
bonds (distance) P-C4' energy: -142.171
flat angles C4'-P-C4' energy: -167.816
flat angles P-C4'-P energy: -110.649
tors. eta vs tors. theta energy: -249.150
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: 373
Temperature: 0.950000
Total energy: -2538.566776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.566776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.566776 (E_RNA)
where:
Base-Base interactions energy: -1748.422
where: short stacking energy: -730.305
Base-Backbone interact. energy: -2.723
local terms energy: -787.421575
where:
bonds (distance) C4'-P energy: -145.741
bonds (distance) P-C4' energy: -153.994
flat angles C4'-P-C4' energy: -160.470
flat angles P-C4'-P energy: -102.274
tors. eta vs tors. theta energy: -224.942
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: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2464.017017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.017017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.017017 (E_RNA)
where:
Base-Base interactions energy: -1684.862
where: short stacking energy: -718.741
Base-Backbone interact. energy: -2.428
local terms energy: -776.727343
where:
bonds (distance) C4'-P energy: -152.199
bonds (distance) P-C4' energy: -133.571
flat angles C4'-P-C4' energy: -164.835
flat angles P-C4'-P energy: -99.148
tors. eta vs tors. theta energy: -226.974
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: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2354.769390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.769390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.769390 (E_RNA)
where:
Base-Base interactions energy: -1601.408
where: short stacking energy: -696.972
Base-Backbone interact. energy: -2.427
local terms energy: -750.934505
where:
bonds (distance) C4'-P energy: -144.873
bonds (distance) P-C4' energy: -114.580
flat angles C4'-P-C4' energy: -163.884
flat angles P-C4'-P energy: -107.208
tors. eta vs tors. theta energy: -220.389
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: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2215.808048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.808048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.808048 (E_RNA)
where:
Base-Base interactions energy: -1536.525
where: short stacking energy: -624.339
Base-Backbone interact. energy: -2.684
local terms energy: -676.598527
where:
bonds (distance) C4'-P energy: -132.567
bonds (distance) P-C4' energy: -123.130
flat angles C4'-P-C4' energy: -140.852
flat angles P-C4'-P energy: -90.861
tors. eta vs tors. theta energy: -189.189
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: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1880.106222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.106222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.106222 (E_RNA)
where:
Base-Base interactions energy: -1241.799
where: short stacking energy: -576.521
Base-Backbone interact. energy: 2.028
local terms energy: -640.335195
where:
bonds (distance) C4'-P energy: -122.951
bonds (distance) P-C4' energy: -139.180
flat angles C4'-P-C4' energy: -140.046
flat angles P-C4'-P energy: -83.801
tors. eta vs tors. theta energy: -154.357
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: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1681.388860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.388860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.388860 (E_RNA)
where:
Base-Base interactions energy: -1129.854
where: short stacking energy: -519.514
Base-Backbone interact. energy: 1.341
local terms energy: -552.875619
where:
bonds (distance) C4'-P energy: -118.021
bonds (distance) P-C4' energy: -109.083
flat angles C4'-P-C4' energy: -133.217
flat angles P-C4'-P energy: -67.258
tors. eta vs tors. theta energy: -125.297
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: 373
Temperature: 1.250000
Total energy: -1219.827620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.827620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.827620 (E_RNA)
where:
Base-Base interactions energy: -706.083
where: short stacking energy: -333.150
Base-Backbone interact. energy: 0.683
local terms energy: -514.427464
where:
bonds (distance) C4'-P energy: -107.682
bonds (distance) P-C4' energy: -128.261
flat angles C4'-P-C4' energy: -142.258
flat angles P-C4'-P energy: -82.121
tors. eta vs tors. theta energy: -54.105
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: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1130.849491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.849491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.849491 (E_RNA)
where:
Base-Base interactions energy: -705.371
where: short stacking energy: -338.019
Base-Backbone interact. energy: -1.429
local terms energy: -424.049420
where:
bonds (distance) C4'-P energy: -113.260
bonds (distance) P-C4' energy: -106.376
flat angles C4'-P-C4' energy: -114.612
flat angles P-C4'-P energy: -57.077
tors. eta vs tors. theta energy: -32.724
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: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -810.120991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.120991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.120991 (E_RNA)
where:
Base-Base interactions energy: -391.048
where: short stacking energy: -200.903
Base-Backbone interact. energy: -3.318
local terms energy: -415.754410
where:
bonds (distance) C4'-P energy: -97.508
bonds (distance) P-C4' energy: -130.679
flat angles C4'-P-C4' energy: -103.171
flat angles P-C4'-P energy: -80.190
tors. eta vs tors. theta energy: -4.206
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: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2637.665123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.665123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.665123 (E_RNA)
where:
Base-Base interactions energy: -1817.670
where: short stacking energy: -793.190
Base-Backbone interact. energy: -7.475
local terms energy: -812.519859
where:
bonds (distance) C4'-P energy: -131.317
bonds (distance) P-C4' energy: -154.227
flat angles C4'-P-C4' energy: -161.802
flat angles P-C4'-P energy: -119.241
tors. eta vs tors. theta energy: -245.933
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: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2569.234271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.234271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.234271 (E_RNA)
where:
Base-Base interactions energy: -1783.332
where: short stacking energy: -739.630
Base-Backbone interact. energy: -2.924
local terms energy: -782.978395
where:
bonds (distance) C4'-P energy: -139.437
bonds (distance) P-C4' energy: -147.052
flat angles C4'-P-C4' energy: -160.976
flat angles P-C4'-P energy: -117.060
tors. eta vs tors. theta energy: -218.454
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: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2494.384945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.384945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.384945 (E_RNA)
where:
Base-Base interactions energy: -1726.401
where: short stacking energy: -751.185
Base-Backbone interact. energy: -4.439
local terms energy: -763.544462
where:
bonds (distance) C4'-P energy: -137.246
bonds (distance) P-C4' energy: -136.192
flat angles C4'-P-C4' energy: -157.188
flat angles P-C4'-P energy: -105.925
tors. eta vs tors. theta energy: -226.994
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: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2361.091046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.091046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.091046 (E_RNA)
where:
Base-Base interactions energy: -1636.303
where: short stacking energy: -689.841
Base-Backbone interact. energy: 1.110
local terms energy: -725.897706
where:
bonds (distance) C4'-P energy: -118.184
bonds (distance) P-C4' energy: -137.734
flat angles C4'-P-C4' energy: -149.425
flat angles P-C4'-P energy: -112.994
tors. eta vs tors. theta energy: -207.561
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: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2203.212055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.212055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.212055 (E_RNA)
where:
Base-Base interactions energy: -1506.674
where: short stacking energy: -629.945
Base-Backbone interact. energy: 0.393
local terms energy: -696.930872
where:
bonds (distance) C4'-P energy: -127.050
bonds (distance) P-C4' energy: -154.155
flat angles C4'-P-C4' energy: -135.040
flat angles P-C4'-P energy: -99.710
tors. eta vs tors. theta energy: -180.977
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: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1917.029781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.029781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.029781 (E_RNA)
where:
Base-Base interactions energy: -1264.374
where: short stacking energy: -569.982
Base-Backbone interact. energy: -2.361
local terms energy: -650.294393
where:
bonds (distance) C4'-P energy: -122.068
bonds (distance) P-C4' energy: -130.704
flat angles C4'-P-C4' energy: -152.578
flat angles P-C4'-P energy: -97.390
tors. eta vs tors. theta energy: -147.555
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: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1750.939063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.939063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.939063 (E_RNA)
where:
Base-Base interactions energy: -1154.470
where: short stacking energy: -504.278
Base-Backbone interact. energy: 0.638
local terms energy: -597.106215
where:
bonds (distance) C4'-P energy: -138.576
bonds (distance) P-C4' energy: -120.711
flat angles C4'-P-C4' energy: -133.001
flat angles P-C4'-P energy: -89.496
tors. eta vs tors. theta energy: -115.322
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: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1254.137290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.137290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.137290 (E_RNA)
where:
Base-Base interactions energy: -776.246
where: short stacking energy: -373.583
Base-Backbone interact. energy: 0.309
local terms energy: -478.199485
where:
bonds (distance) C4'-P energy: -106.689
bonds (distance) P-C4' energy: -113.168
flat angles C4'-P-C4' energy: -120.242
flat angles P-C4'-P energy: -65.221
tors. eta vs tors. theta energy: -72.879
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: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1182.123493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.123493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.123493 (E_RNA)
where:
Base-Base interactions energy: -703.357
where: short stacking energy: -366.193
Base-Backbone interact. energy: 7.613
local terms energy: -486.380112
where:
bonds (distance) C4'-P energy: -125.951
bonds (distance) P-C4' energy: -115.210
flat angles C4'-P-C4' energy: -126.581
flat angles P-C4'-P energy: -63.496
tors. eta vs tors. theta energy: -55.142
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: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -800.882891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.882891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.882891 (E_RNA)
where:
Base-Base interactions energy: -424.819
where: short stacking energy: -225.439
Base-Backbone interact. energy: -0.141
local terms energy: -375.922513
where:
bonds (distance) C4'-P energy: -112.193
bonds (distance) P-C4' energy: -121.315
flat angles C4'-P-C4' energy: -103.590
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: 1.305
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: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2633.125887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.125887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.125887 (E_RNA)
where:
Base-Base interactions energy: -1815.384
where: short stacking energy: -796.475
Base-Backbone interact. energy: -0.498
local terms energy: -817.243304
where:
bonds (distance) C4'-P energy: -142.162
bonds (distance) P-C4' energy: -151.958
flat angles C4'-P-C4' energy: -173.094
flat angles P-C4'-P energy: -104.693
tors. eta vs tors. theta energy: -245.336
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: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2548.721708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.721708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.721708 (E_RNA)
where:
Base-Base interactions energy: -1772.536
where: short stacking energy: -730.740
Base-Backbone interact. energy: -4.815
local terms energy: -771.371543
where:
bonds (distance) C4'-P energy: -134.339
bonds (distance) P-C4' energy: -136.346
flat angles C4'-P-C4' energy: -160.833
flat angles P-C4'-P energy: -115.895
tors. eta vs tors. theta energy: -223.957
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: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2488.097270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.097270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.097270 (E_RNA)
where:
Base-Base interactions energy: -1739.455
where: short stacking energy: -750.128
Base-Backbone interact. energy: -2.330
local terms energy: -746.312457
where:
bonds (distance) C4'-P energy: -119.154
bonds (distance) P-C4' energy: -149.492
flat angles C4'-P-C4' energy: -151.706
flat angles P-C4'-P energy: -105.125
tors. eta vs tors. theta energy: -220.835
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: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2329.021304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.021304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.021304 (E_RNA)
where:
Base-Base interactions energy: -1615.010
where: short stacking energy: -692.680
Base-Backbone interact. energy: -2.618
local terms energy: -711.393874
where:
bonds (distance) C4'-P energy: -135.465
bonds (distance) P-C4' energy: -125.680
flat angles C4'-P-C4' energy: -154.005
flat angles P-C4'-P energy: -97.347
tors. eta vs tors. theta energy: -198.896
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: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2166.356694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.356694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.356694 (E_RNA)
where:
Base-Base interactions energy: -1497.684
where: short stacking energy: -619.818
Base-Backbone interact. energy: 1.039
local terms energy: -669.711520
where:
bonds (distance) C4'-P energy: -129.233
bonds (distance) P-C4' energy: -139.623
flat angles C4'-P-C4' energy: -138.419
flat angles P-C4'-P energy: -95.803
tors. eta vs tors. theta energy: -166.635
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: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1861.277005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.277005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.277005 (E_RNA)
where:
Base-Base interactions energy: -1266.986
where: short stacking energy: -549.607
Base-Backbone interact. energy: -1.826
local terms energy: -592.465524
where:
bonds (distance) C4'-P energy: -115.817
bonds (distance) P-C4' energy: -109.946
flat angles C4'-P-C4' energy: -130.501
flat angles P-C4'-P energy: -89.708
tors. eta vs tors. theta energy: -146.493
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: 375
Temperature: 1.200000
Total energy: -1779.886675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.886675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.886675 (E_RNA)
where:
Base-Base interactions energy: -1178.342
where: short stacking energy: -532.536
Base-Backbone interact. energy: -2.910
local terms energy: -598.634475
where:
bonds (distance) C4'-P energy: -116.234
bonds (distance) P-C4' energy: -133.865
flat angles C4'-P-C4' energy: -144.607
flat angles P-C4'-P energy: -81.740
tors. eta vs tors. theta energy: -122.189
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: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1290.437659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.437659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.437659 (E_RNA)
where:
Base-Base interactions energy: -791.852
where: short stacking energy: -365.115
Base-Backbone interact. energy: -0.278
local terms energy: -498.308211
where:
bonds (distance) C4'-P energy: -110.902
bonds (distance) P-C4' energy: -143.764
flat angles C4'-P-C4' energy: -120.997
flat angles P-C4'-P energy: -71.656
tors. eta vs tors. theta energy: -50.989
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: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1095.031610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.031610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.031610 (E_RNA)
where:
Base-Base interactions energy: -622.038
where: short stacking energy: -315.237
Base-Backbone interact. energy: 1.874
local terms energy: -474.867401
where:
bonds (distance) C4'-P energy: -110.265
bonds (distance) P-C4' energy: -130.460
flat angles C4'-P-C4' energy: -126.672
flat angles P-C4'-P energy: -71.255
tors. eta vs tors. theta energy: -36.216
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: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -797.225009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.225009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.225009 (E_RNA)
where:
Base-Base interactions energy: -447.058
where: short stacking energy: -245.486
Base-Backbone interact. energy: 1.229
local terms energy: -351.395407
where:
bonds (distance) C4'-P energy: -101.388
bonds (distance) P-C4' energy: -125.170
flat angles C4'-P-C4' energy: -95.727
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -1.840
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: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2605.756996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.756996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.756996 (E_RNA)
where:
Base-Base interactions energy: -1828.454
where: short stacking energy: -759.024
Base-Backbone interact. energy: -2.967
local terms energy: -774.336359
where:
bonds (distance) C4'-P energy: -133.513
bonds (distance) P-C4' energy: -148.051
flat angles C4'-P-C4' energy: -161.195
flat angles P-C4'-P energy: -102.855
tors. eta vs tors. theta energy: -228.723
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: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2603.424485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.424485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.424485 (E_RNA)
where:
Base-Base interactions energy: -1786.821
where: short stacking energy: -791.363
Base-Backbone interact. energy: -0.710
local terms energy: -815.893781
where:
bonds (distance) C4'-P energy: -153.763
bonds (distance) P-C4' energy: -135.117
flat angles C4'-P-C4' energy: -161.671
flat angles P-C4'-P energy: -119.591
tors. eta vs tors. theta energy: -245.753
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: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2488.291385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.291385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.291385 (E_RNA)
where:
Base-Base interactions energy: -1706.795
where: short stacking energy: -762.415
Base-Backbone interact. energy: -5.912
local terms energy: -775.584172
where:
bonds (distance) C4'-P energy: -146.496
bonds (distance) P-C4' energy: -140.891
flat angles C4'-P-C4' energy: -155.367
flat angles P-C4'-P energy: -108.247
tors. eta vs tors. theta energy: -224.582
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: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2358.391684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.391684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.391684 (E_RNA)
where:
Base-Base interactions energy: -1636.910
where: short stacking energy: -696.295
Base-Backbone interact. energy: -1.692
local terms energy: -719.789527
where:
bonds (distance) C4'-P energy: -130.359
bonds (distance) P-C4' energy: -122.417
flat angles C4'-P-C4' energy: -153.774
flat angles P-C4'-P energy: -96.878
tors. eta vs tors. theta energy: -216.361
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: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2163.621684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.621684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.621684 (E_RNA)
where:
Base-Base interactions energy: -1490.969
where: short stacking energy: -664.368
Base-Backbone interact. energy: -5.873
local terms energy: -666.779544
where:
bonds (distance) C4'-P energy: -131.966
bonds (distance) P-C4' energy: -145.381
flat angles C4'-P-C4' energy: -133.009
flat angles P-C4'-P energy: -78.641
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: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1874.408233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.408233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.408233 (E_RNA)
where:
Base-Base interactions energy: -1278.392
where: short stacking energy: -559.940
Base-Backbone interact. energy: 0.444
local terms energy: -596.459727
where:
bonds (distance) C4'-P energy: -103.355
bonds (distance) P-C4' energy: -146.093
flat angles C4'-P-C4' energy: -116.884
flat angles P-C4'-P energy: -90.261
tors. eta vs tors. theta energy: -139.866
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: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1664.282063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.282063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.282063 (E_RNA)
where:
Base-Base interactions energy: -1108.141
where: short stacking energy: -521.888
Base-Backbone interact. energy: 1.469
local terms energy: -557.610070
where:
bonds (distance) C4'-P energy: -110.611
bonds (distance) P-C4' energy: -127.810
flat angles C4'-P-C4' energy: -134.015
flat angles P-C4'-P energy: -77.161
tors. eta vs tors. theta energy: -108.012
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: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1187.980978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.980978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.980978 (E_RNA)
where:
Base-Base interactions energy: -690.857
where: short stacking energy: -346.965
Base-Backbone interact. energy: 1.597
local terms energy: -498.721428
where:
bonds (distance) C4'-P energy: -133.304
bonds (distance) P-C4' energy: -128.393
flat angles C4'-P-C4' energy: -121.180
flat angles P-C4'-P energy: -72.777
tors. eta vs tors. theta energy: -43.067
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: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1096.016241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.016241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.016241 (E_RNA)
where:
Base-Base interactions energy: -622.234
where: short stacking energy: -294.843
Base-Backbone interact. energy: -1.247
local terms energy: -472.536047
where:
bonds (distance) C4'-P energy: -97.245
bonds (distance) P-C4' energy: -135.158
flat angles C4'-P-C4' energy: -115.028
flat angles P-C4'-P energy: -74.789
tors. eta vs tors. theta energy: -50.316
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: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -796.980345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.980345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.980345 (E_RNA)
where:
Base-Base interactions energy: -417.469
where: short stacking energy: -227.448
Base-Backbone interact. energy: 3.110
local terms energy: -382.621667
where:
bonds (distance) C4'-P energy: -103.297
bonds (distance) P-C4' energy: -113.935
flat angles C4'-P-C4' energy: -97.624
flat angles P-C4'-P energy: -67.410
tors. eta vs tors. theta energy: -0.356
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: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2611.713660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.713660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.713660 (E_RNA)
where:
Base-Base interactions energy: -1829.032
where: short stacking energy: -730.791
Base-Backbone interact. energy: -1.687
local terms energy: -780.994636
where:
bonds (distance) C4'-P energy: -148.135
bonds (distance) P-C4' energy: -147.752
flat angles C4'-P-C4' energy: -164.842
flat angles P-C4'-P energy: -95.557
tors. eta vs tors. theta energy: -224.709
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: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2587.544043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.544043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.544043 (E_RNA)
where:
Base-Base interactions energy: -1799.238
where: short stacking energy: -789.294
Base-Backbone interact. energy: -4.121
local terms energy: -784.184714
where:
bonds (distance) C4'-P energy: -116.162
bonds (distance) P-C4' energy: -129.319
flat angles C4'-P-C4' energy: -167.824
flat angles P-C4'-P energy: -121.941
tors. eta vs tors. theta energy: -248.938
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: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2485.230878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.230878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.230878 (E_RNA)
where:
Base-Base interactions energy: -1718.000
where: short stacking energy: -745.783
Base-Backbone interact. energy: -4.365
local terms energy: -762.866267
where:
bonds (distance) C4'-P energy: -121.004
bonds (distance) P-C4' energy: -141.324
flat angles C4'-P-C4' energy: -162.234
flat angles P-C4'-P energy: -116.423
tors. eta vs tors. theta energy: -221.881
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: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2372.951234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.951234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.951234 (E_RNA)
where:
Base-Base interactions energy: -1654.239
where: short stacking energy: -707.020
Base-Backbone interact. energy: -1.719
local terms energy: -716.993466
where:
bonds (distance) C4'-P energy: -122.364
bonds (distance) P-C4' energy: -132.727
flat angles C4'-P-C4' energy: -148.955
flat angles P-C4'-P energy: -105.872
tors. eta vs tors. theta energy: -207.075
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: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2184.017981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.017981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.017981 (E_RNA)
where:
Base-Base interactions energy: -1502.647
where: short stacking energy: -629.003
Base-Backbone interact. energy: -1.304
local terms energy: -680.067444
where:
bonds (distance) C4'-P energy: -113.128
bonds (distance) P-C4' energy: -134.193
flat angles C4'-P-C4' energy: -151.477
flat angles P-C4'-P energy: -112.086
tors. eta vs tors. theta energy: -169.184
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: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1872.964397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.964397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.964397 (E_RNA)
where:
Base-Base interactions energy: -1228.874
where: short stacking energy: -550.689
Base-Backbone interact. energy: -2.940
local terms energy: -641.150517
where:
bonds (distance) C4'-P energy: -119.078
bonds (distance) P-C4' energy: -134.362
flat angles C4'-P-C4' energy: -150.936
flat angles P-C4'-P energy: -90.155
tors. eta vs tors. theta energy: -146.620
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: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1689.915825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.915825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.915825 (E_RNA)
where:
Base-Base interactions energy: -1119.406
where: short stacking energy: -483.339
Base-Backbone interact. energy: -0.608
local terms energy: -569.901698
where:
bonds (distance) C4'-P energy: -120.480
bonds (distance) P-C4' energy: -134.070
flat angles C4'-P-C4' energy: -136.314
flat angles P-C4'-P energy: -64.181
tors. eta vs tors. theta energy: -114.856
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: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1216.513620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.513620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.513620 (E_RNA)
where:
Base-Base interactions energy: -734.724
where: short stacking energy: -353.781
Base-Backbone interact. energy: -1.454
local terms energy: -480.335702
where:
bonds (distance) C4'-P energy: -91.321
bonds (distance) P-C4' energy: -133.634
flat angles C4'-P-C4' energy: -112.197
flat angles P-C4'-P energy: -79.710
tors. eta vs tors. theta energy: -63.475
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: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1119.296574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.296574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.296574 (E_RNA)
where:
Base-Base interactions energy: -669.765
where: short stacking energy: -341.095
Base-Backbone interact. energy: -2.857
local terms energy: -446.674521
where:
bonds (distance) C4'-P energy: -111.628
bonds (distance) P-C4' energy: -116.199
flat angles C4'-P-C4' energy: -105.672
flat angles P-C4'-P energy: -58.427
tors. eta vs tors. theta energy: -54.749
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: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -776.872788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.872788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.872788 (E_RNA)
where:
Base-Base interactions energy: -384.596
where: short stacking energy: -215.052
Base-Backbone interact. energy: -0.865
local terms energy: -391.411642
where:
bonds (distance) C4'-P energy: -90.505
bonds (distance) P-C4' energy: -122.854
flat angles C4'-P-C4' energy: -121.237
flat angles P-C4'-P energy: -42.649
tors. eta vs tors. theta energy: -14.166
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: 378
Temperature: 0.900000
Total energy: -2663.306123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.306123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.306123 (E_RNA)
where:
Base-Base interactions energy: -1831.738
where: short stacking energy: -804.048
Base-Backbone interact. energy: 0.294
local terms energy: -831.862219
where:
bonds (distance) C4'-P energy: -156.011
bonds (distance) P-C4' energy: -158.454
flat angles C4'-P-C4' energy: -165.194
flat angles P-C4'-P energy: -105.927
tors. eta vs tors. theta energy: -246.275
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: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2555.012878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.012878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.012878 (E_RNA)
where:
Base-Base interactions energy: -1763.894
where: short stacking energy: -726.301
Base-Backbone interact. energy: -4.271
local terms energy: -786.847661
where:
bonds (distance) C4'-P energy: -135.631
bonds (distance) P-C4' energy: -147.766
flat angles C4'-P-C4' energy: -165.869
flat angles P-C4'-P energy: -112.272
tors. eta vs tors. theta energy: -225.309
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: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2519.647099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.647099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.647099 (E_RNA)
where:
Base-Base interactions energy: -1725.610
where: short stacking energy: -762.047
Base-Backbone interact. energy: -3.162
local terms energy: -790.874282
where:
bonds (distance) C4'-P energy: -142.996
bonds (distance) P-C4' energy: -153.630
flat angles C4'-P-C4' energy: -159.804
flat angles P-C4'-P energy: -102.306
tors. eta vs tors. theta energy: -232.138
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: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2399.137995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.137995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.137995 (E_RNA)
where:
Base-Base interactions energy: -1679.061
where: short stacking energy: -721.044
Base-Backbone interact. energy: -1.606
local terms energy: -718.470636
where:
bonds (distance) C4'-P energy: -125.883
bonds (distance) P-C4' energy: -120.615
flat angles C4'-P-C4' energy: -159.061
flat angles P-C4'-P energy: -101.730
tors. eta vs tors. theta energy: -211.180
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: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2138.665482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.665482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.665482 (E_RNA)
where:
Base-Base interactions energy: -1462.247
where: short stacking energy: -626.547
Base-Backbone interact. energy: -3.417
local terms energy: -673.001391
where:
bonds (distance) C4'-P energy: -123.243
bonds (distance) P-C4' energy: -135.754
flat angles C4'-P-C4' energy: -148.220
flat angles P-C4'-P energy: -98.198
tors. eta vs tors. theta energy: -167.587
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: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1861.688177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.688177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.688177 (E_RNA)
where:
Base-Base interactions energy: -1230.625
where: short stacking energy: -571.980
Base-Backbone interact. energy: -3.146
local terms energy: -627.916896
where:
bonds (distance) C4'-P energy: -121.450
bonds (distance) P-C4' energy: -139.418
flat angles C4'-P-C4' energy: -132.801
flat angles P-C4'-P energy: -88.047
tors. eta vs tors. theta energy: -146.201
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: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1745.024634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.024634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.024634 (E_RNA)
where:
Base-Base interactions energy: -1132.961
where: short stacking energy: -503.754
Base-Backbone interact. energy: 6.566
local terms energy: -618.629026
where:
bonds (distance) C4'-P energy: -126.938
bonds (distance) P-C4' energy: -124.931
flat angles C4'-P-C4' energy: -143.446
flat angles P-C4'-P energy: -86.581
tors. eta vs tors. theta energy: -136.732
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: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1249.551748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.551748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.551748 (E_RNA)
where:
Base-Base interactions energy: -774.461
where: short stacking energy: -374.481
Base-Backbone interact. energy: -3.583
local terms energy: -471.507474
where:
bonds (distance) C4'-P energy: -107.315
bonds (distance) P-C4' energy: -120.453
flat angles C4'-P-C4' energy: -120.317
flat angles P-C4'-P energy: -72.868
tors. eta vs tors. theta energy: -50.555
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: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1100.008165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.008165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.008165 (E_RNA)
where:
Base-Base interactions energy: -675.088
where: short stacking energy: -308.535
Base-Backbone interact. energy: -5.571
local terms energy: -419.349335
where:
bonds (distance) C4'-P energy: -100.015
bonds (distance) P-C4' energy: -119.339
flat angles C4'-P-C4' energy: -97.088
flat angles P-C4'-P energy: -72.578
tors. eta vs tors. theta energy: -30.329
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: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -833.572232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.572232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.572232 (E_RNA)
where:
Base-Base interactions energy: -427.466
where: short stacking energy: -232.628
Base-Backbone interact. energy: -2.029
local terms energy: -404.076647
where:
bonds (distance) C4'-P energy: -99.436
bonds (distance) P-C4' energy: -135.349
flat angles C4'-P-C4' energy: -100.788
flat angles P-C4'-P energy: -61.136
tors. eta vs tors. theta energy: -7.368
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: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2666.718108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.718108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.718108 (E_RNA)
where:
Base-Base interactions energy: -1811.554
where: short stacking energy: -809.171
Base-Backbone interact. energy: -4.407
local terms energy: -850.757011
where:
bonds (distance) C4'-P energy: -153.098
bonds (distance) P-C4' energy: -157.153
flat angles C4'-P-C4' energy: -179.645
flat angles P-C4'-P energy: -113.069
tors. eta vs tors. theta energy: -247.792
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: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2550.462003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.462003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.462003 (E_RNA)
where:
Base-Base interactions energy: -1793.382
where: short stacking energy: -766.706
Base-Backbone interact. energy: -1.234
local terms energy: -755.846173
where:
bonds (distance) C4'-P energy: -135.955
bonds (distance) P-C4' energy: -132.535
flat angles C4'-P-C4' energy: -165.252
flat angles P-C4'-P energy: -95.058
tors. eta vs tors. theta energy: -227.046
Dist. restrs. and SS energy: 0.000 (S_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: -2448.240058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.240058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.240058 (E_RNA)
where:
Base-Base interactions energy: -1682.465
where: short stacking energy: -712.562
Base-Backbone interact. energy: -0.315
local terms energy: -765.460303
where:
bonds (distance) C4'-P energy: -135.947
bonds (distance) P-C4' energy: -137.674
flat angles C4'-P-C4' energy: -157.663
flat angles P-C4'-P energy: -108.886
tors. eta vs tors. theta energy: -225.290
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: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2403.627359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.627359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.627359 (E_RNA)
where:
Base-Base interactions energy: -1660.487
where: short stacking energy: -744.825
Base-Backbone interact. energy: -2.622
local terms energy: -740.518574
where:
bonds (distance) C4'-P energy: -125.770
bonds (distance) P-C4' energy: -146.441
flat angles C4'-P-C4' energy: -147.048
flat angles P-C4'-P energy: -110.653
tors. eta vs tors. theta energy: -210.607
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: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2203.833357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.833357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.833357 (E_RNA)
where:
Base-Base interactions energy: -1496.520
where: short stacking energy: -648.642
Base-Backbone interact. energy: -1.933
local terms energy: -705.380373
where:
bonds (distance) C4'-P energy: -147.739
bonds (distance) P-C4' energy: -124.615
flat angles C4'-P-C4' energy: -155.122
flat angles P-C4'-P energy: -108.487
tors. eta vs tors. theta energy: -169.417
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: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1881.662186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.662186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.662186 (E_RNA)
where:
Base-Base interactions energy: -1295.607
where: short stacking energy: -545.006
Base-Backbone interact. energy: 2.297
local terms energy: -588.352568
where:
bonds (distance) C4'-P energy: -105.557
bonds (distance) P-C4' energy: -122.082
flat angles C4'-P-C4' energy: -139.161
flat angles P-C4'-P energy: -84.643
tors. eta vs tors. theta energy: -136.910
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: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1827.633530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.633530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.633530 (E_RNA)
where:
Base-Base interactions energy: -1194.415
where: short stacking energy: -542.137
Base-Backbone interact. energy: -2.645
local terms energy: -630.573765
where:
bonds (distance) C4'-P energy: -124.725
bonds (distance) P-C4' energy: -126.171
flat angles C4'-P-C4' energy: -141.292
flat angles P-C4'-P energy: -102.372
tors. eta vs tors. theta energy: -136.014
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: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1178.042167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.042167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.042167 (E_RNA)
where:
Base-Base interactions energy: -702.548
where: short stacking energy: -348.880
Base-Backbone interact. energy: 2.106
local terms energy: -477.599896
where:
bonds (distance) C4'-P energy: -103.856
bonds (distance) P-C4' energy: -111.025
flat angles C4'-P-C4' energy: -130.714
flat angles P-C4'-P energy: -84.618
tors. eta vs tors. theta energy: -47.387
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: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1036.484350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.484350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.484350 (E_RNA)
where:
Base-Base interactions energy: -583.151
where: short stacking energy: -262.779
Base-Backbone interact. energy: 3.804
local terms energy: -457.138043
where:
bonds (distance) C4'-P energy: -137.613
bonds (distance) P-C4' energy: -126.407
flat angles C4'-P-C4' energy: -119.742
flat angles P-C4'-P energy: -50.356
tors. eta vs tors. theta energy: -23.020
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: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -834.895599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.895599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.895599 (E_RNA)
where:
Base-Base interactions energy: -456.174
where: short stacking energy: -271.205
Base-Backbone interact. energy: -4.210
local terms energy: -374.511002
where:
bonds (distance) C4'-P energy: -130.993
bonds (distance) P-C4' energy: -113.684
flat angles C4'-P-C4' energy: -95.274
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: 0.290
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: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2670.588636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.588636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.588636 (E_RNA)
where:
Base-Base interactions energy: -1842.758
where: short stacking energy: -806.025
Base-Backbone interact. energy: -4.299
local terms energy: -823.531493
where:
bonds (distance) C4'-P energy: -139.525
bonds (distance) P-C4' energy: -155.941
flat angles C4'-P-C4' energy: -173.902
flat angles P-C4'-P energy: -110.754
tors. eta vs tors. theta energy: -243.409
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: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2534.484292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.484292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.484292 (E_RNA)
where:
Base-Base interactions energy: -1769.041
where: short stacking energy: -740.429
Base-Backbone interact. energy: -2.776
local terms energy: -762.667962
where:
bonds (distance) C4'-P energy: -154.188
bonds (distance) P-C4' energy: -133.032
flat angles C4'-P-C4' energy: -157.101
flat angles P-C4'-P energy: -99.550
tors. eta vs tors. theta energy: -218.796
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: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2574.723979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.723979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.723979 (E_RNA)
where:
Base-Base interactions energy: -1768.916
where: short stacking energy: -773.527
Base-Backbone interact. energy: -4.023
local terms energy: -801.784730
where:
bonds (distance) C4'-P energy: -130.390
bonds (distance) P-C4' energy: -147.912
flat angles C4'-P-C4' energy: -167.019
flat angles P-C4'-P energy: -110.644
tors. eta vs tors. theta energy: -245.819
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: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2440.361983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.361983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.361983 (E_RNA)
where:
Base-Base interactions energy: -1670.730
where: short stacking energy: -724.553
Base-Backbone interact. energy: -3.062
local terms energy: -766.569972
where:
bonds (distance) C4'-P energy: -141.895
bonds (distance) P-C4' energy: -141.759
flat angles C4'-P-C4' energy: -155.070
flat angles P-C4'-P energy: -100.367
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: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2214.888728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.888728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.888728 (E_RNA)
where:
Base-Base interactions energy: -1516.950
where: short stacking energy: -658.366
Base-Backbone interact. energy: -1.556
local terms energy: -696.382628
where:
bonds (distance) C4'-P energy: -136.049
bonds (distance) P-C4' energy: -131.210
flat angles C4'-P-C4' energy: -142.382
flat angles P-C4'-P energy: -98.270
tors. eta vs tors. theta energy: -188.472
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: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1920.335589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.335589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.335589 (E_RNA)
where:
Base-Base interactions energy: -1285.946
where: short stacking energy: -585.192
Base-Backbone interact. energy: -0.678
local terms energy: -633.710837
where:
bonds (distance) C4'-P energy: -111.372
bonds (distance) P-C4' energy: -132.612
flat angles C4'-P-C4' energy: -148.954
flat angles P-C4'-P energy: -99.437
tors. eta vs tors. theta energy: -141.335
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: 380
Temperature: 1.200000
Total energy: -1792.773404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.773404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.773404 (E_RNA)
where:
Base-Base interactions energy: -1196.037
where: short stacking energy: -546.033
Base-Backbone interact. energy: 1.372
local terms energy: -598.108581
where:
bonds (distance) C4'-P energy: -108.656
bonds (distance) P-C4' energy: -120.752
flat angles C4'-P-C4' energy: -137.335
flat angles P-C4'-P energy: -83.744
tors. eta vs tors. theta energy: -147.621
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: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1128.345982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.345982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.345982 (E_RNA)
where:
Base-Base interactions energy: -673.565
where: short stacking energy: -349.032
Base-Backbone interact. energy: -3.869
local terms energy: -450.912281
where:
bonds (distance) C4'-P energy: -111.248
bonds (distance) P-C4' energy: -125.276
flat angles C4'-P-C4' energy: -100.089
flat angles P-C4'-P energy: -71.535
tors. eta vs tors. theta energy: -42.765
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: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -995.372517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.372517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.372517 (E_RNA)
where:
Base-Base interactions energy: -561.371
where: short stacking energy: -275.550
Base-Backbone interact. energy: 0.508
local terms energy: -434.510139
where:
bonds (distance) C4'-P energy: -115.205
bonds (distance) P-C4' energy: -131.342
flat angles C4'-P-C4' energy: -117.761
flat angles P-C4'-P energy: -65.482
tors. eta vs tors. theta energy: -4.720
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: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -815.084846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.084846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.084846 (E_RNA)
where:
Base-Base interactions energy: -411.444
where: short stacking energy: -253.238
Base-Backbone interact. energy: -3.113
local terms energy: -400.527491
where:
bonds (distance) C4'-P energy: -110.874
bonds (distance) P-C4' energy: -119.745
flat angles C4'-P-C4' energy: -84.331
flat angles P-C4'-P energy: -87.062
tors. eta vs tors. theta energy: 1.484
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: 381
Temperature: 0.900000
Total energy: -2656.692298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.692298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.692298 (E_RNA)
where:
Base-Base interactions energy: -1834.075
where: short stacking energy: -806.503
Base-Backbone interact. energy: -4.072
local terms energy: -818.545679
where:
bonds (distance) C4'-P energy: -149.669
bonds (distance) P-C4' energy: -148.744
flat angles C4'-P-C4' energy: -174.471
flat angles P-C4'-P energy: -104.345
tors. eta vs tors. theta energy: -241.316
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: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2544.460273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.460273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.460273 (E_RNA)
where:
Base-Base interactions energy: -1769.471
where: short stacking energy: -725.405
Base-Backbone interact. energy: -0.373
local terms energy: -774.615841
where:
bonds (distance) C4'-P energy: -136.729
bonds (distance) P-C4' energy: -149.876
flat angles C4'-P-C4' energy: -166.914
flat angles P-C4'-P energy: -101.337
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: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2509.173537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.173537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.173537 (E_RNA)
where:
Base-Base interactions energy: -1755.415
where: short stacking energy: -763.576
Base-Backbone interact. energy: -0.659
local terms energy: -753.099350
where:
bonds (distance) C4'-P energy: -125.111
bonds (distance) P-C4' energy: -125.519
flat angles C4'-P-C4' energy: -169.359
flat angles P-C4'-P energy: -104.324
tors. eta vs tors. theta energy: -228.785
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2398.429959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.429959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.429959 (E_RNA)
where:
Base-Base interactions energy: -1652.029
where: short stacking energy: -734.483
Base-Backbone interact. energy: -3.219
local terms energy: -743.181973
where:
bonds (distance) C4'-P energy: -129.606
bonds (distance) P-C4' energy: -128.028
flat angles C4'-P-C4' energy: -160.873
flat angles P-C4'-P energy: -94.662
tors. eta vs tors. theta energy: -230.013
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: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2246.495182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.495182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.495182 (E_RNA)
where:
Base-Base interactions energy: -1538.752
where: short stacking energy: -645.366
Base-Backbone interact. energy: 1.458
local terms energy: -709.202060
where:
bonds (distance) C4'-P energy: -130.246
bonds (distance) P-C4' energy: -131.395
flat angles C4'-P-C4' energy: -153.888
flat angles P-C4'-P energy: -105.668
tors. eta vs tors. theta energy: -188.005
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: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1937.876134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.876134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.876134 (E_RNA)
where:
Base-Base interactions energy: -1254.981
where: short stacking energy: -592.694
Base-Backbone interact. energy: -1.548
local terms energy: -681.347248
where:
bonds (distance) C4'-P energy: -132.198
bonds (distance) P-C4' energy: -132.546
flat angles C4'-P-C4' energy: -151.635
flat angles P-C4'-P energy: -105.130
tors. eta vs tors. theta energy: -159.839
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: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1824.343889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.343889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.343889 (E_RNA)
where:
Base-Base interactions energy: -1248.906
where: short stacking energy: -543.631
Base-Backbone interact. energy: -0.559
local terms energy: -574.879691
where:
bonds (distance) C4'-P energy: -105.461
bonds (distance) P-C4' energy: -128.494
flat angles C4'-P-C4' energy: -132.672
flat angles P-C4'-P energy: -72.870
tors. eta vs tors. theta energy: -135.383
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: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1155.083902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.083902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.083902 (E_RNA)
where:
Base-Base interactions energy: -677.336
where: short stacking energy: -375.754
Base-Backbone interact. energy: -3.715
local terms energy: -474.033202
where:
bonds (distance) C4'-P energy: -117.242
bonds (distance) P-C4' energy: -129.485
flat angles C4'-P-C4' energy: -120.870
flat angles P-C4'-P energy: -46.449
tors. eta vs tors. theta energy: -59.987
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: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1026.419620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.419620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.419620 (E_RNA)
where:
Base-Base interactions energy: -587.345
where: short stacking energy: -300.501
Base-Backbone interact. energy: 4.840
local terms energy: -443.914662
where:
bonds (distance) C4'-P energy: -114.097
bonds (distance) P-C4' energy: -111.854
flat angles C4'-P-C4' energy: -108.842
flat angles P-C4'-P energy: -68.746
tors. eta vs tors. theta energy: -40.376
Dist. restrs. and SS energy: 0.000 (S_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: 381
Temperature: 1.350000
Total energy: -792.606704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.606704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.606704 (E_RNA)
where:
Base-Base interactions energy: -411.188
where: short stacking energy: -244.387
Base-Backbone interact. energy: 0.148
local terms energy: -381.566256
where:
bonds (distance) C4'-P energy: -113.799
bonds (distance) P-C4' energy: -110.186
flat angles C4'-P-C4' energy: -109.771
flat angles P-C4'-P energy: -53.245
tors. eta vs tors. theta energy: 5.435
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: 382
Temperature: 0.900000
Total energy: -2673.146702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.146702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.146702 (E_RNA)
where:
Base-Base interactions energy: -1848.253
where: short stacking energy: -792.014
Base-Backbone interact. energy: -4.943
local terms energy: -819.950994
where:
bonds (distance) C4'-P energy: -144.698
bonds (distance) P-C4' energy: -142.363
flat angles C4'-P-C4' energy: -177.191
flat angles P-C4'-P energy: -111.812
tors. eta vs tors. theta energy: -243.886
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: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2524.397770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.397770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.397770 (E_RNA)
where:
Base-Base interactions energy: -1770.260
where: short stacking energy: -741.734
Base-Backbone interact. energy: -2.932
local terms energy: -751.205652
where:
bonds (distance) C4'-P energy: -142.891
bonds (distance) P-C4' energy: -146.432
flat angles C4'-P-C4' energy: -152.605
flat angles P-C4'-P energy: -98.934
tors. eta vs tors. theta energy: -210.343
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: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2518.175938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.175938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.175938 (E_RNA)
where:
Base-Base interactions energy: -1738.273
where: short stacking energy: -775.952
Base-Backbone interact. energy: -1.519
local terms energy: -778.383802
where:
bonds (distance) C4'-P energy: -136.186
bonds (distance) P-C4' energy: -144.294
flat angles C4'-P-C4' energy: -152.777
flat angles P-C4'-P energy: -109.372
tors. eta vs tors. theta energy: -235.755
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: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2445.922273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.922273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.922273 (E_RNA)
where:
Base-Base interactions energy: -1685.479
where: short stacking energy: -750.627
Base-Backbone interact. energy: -2.467
local terms energy: -757.976873
where:
bonds (distance) C4'-P energy: -133.001
bonds (distance) P-C4' energy: -138.356
flat angles C4'-P-C4' energy: -164.639
flat angles P-C4'-P energy: -106.006
tors. eta vs tors. theta energy: -215.976
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: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2185.132687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.132687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.132687 (E_RNA)
where:
Base-Base interactions energy: -1533.623
where: short stacking energy: -637.629
Base-Backbone interact. energy: 6.736
local terms energy: -658.245788
where:
bonds (distance) C4'-P energy: -108.035
bonds (distance) P-C4' energy: -128.367
flat angles C4'-P-C4' energy: -149.519
flat angles P-C4'-P energy: -99.052
tors. eta vs tors. theta energy: -173.273
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: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1901.303860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.303860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.303860 (E_RNA)
where:
Base-Base interactions energy: -1247.729
where: short stacking energy: -586.654
Base-Backbone interact. energy: 0.140
local terms energy: -653.715599
where:
bonds (distance) C4'-P energy: -128.239
bonds (distance) P-C4' energy: -138.225
flat angles C4'-P-C4' energy: -133.297
flat angles P-C4'-P energy: -99.609
tors. eta vs tors. theta energy: -154.345
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: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1787.731046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.731046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.731046 (E_RNA)
where:
Base-Base interactions energy: -1219.315
where: short stacking energy: -545.214
Base-Backbone interact. energy: -2.323
local terms energy: -566.093169
where:
bonds (distance) C4'-P energy: -106.363
bonds (distance) P-C4' energy: -104.274
flat angles C4'-P-C4' energy: -136.212
flat angles P-C4'-P energy: -80.885
tors. eta vs tors. theta energy: -138.358
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: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1118.592672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.592672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.592672 (E_RNA)
where:
Base-Base interactions energy: -656.492
where: short stacking energy: -328.695
Base-Backbone interact. energy: 0.519
local terms energy: -462.619484
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -115.643
flat angles C4'-P-C4' energy: -114.873
flat angles P-C4'-P energy: -78.222
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: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1026.137885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.137885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.137885 (E_RNA)
where:
Base-Base interactions energy: -578.705
where: short stacking energy: -295.884
Base-Backbone interact. energy: 3.837
local terms energy: -451.269779
where:
bonds (distance) C4'-P energy: -121.493
bonds (distance) P-C4' energy: -107.485
flat angles C4'-P-C4' energy: -116.100
flat angles P-C4'-P energy: -77.651
tors. eta vs tors. theta energy: -28.540
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: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -823.921758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.921758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.921758 (E_RNA)
where:
Base-Base interactions energy: -388.828
where: short stacking energy: -237.626
Base-Backbone interact. energy: 3.533
local terms energy: -438.626470
where:
bonds (distance) C4'-P energy: -123.248
bonds (distance) P-C4' energy: -134.523
flat angles C4'-P-C4' energy: -107.756
flat angles P-C4'-P energy: -59.292
tors. eta vs tors. theta energy: -13.807
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: 383
Temperature: 0.900000
Total energy: -2637.280929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.280929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.280929 (E_RNA)
where:
Base-Base interactions energy: -1815.993
where: short stacking energy: -792.217
Base-Backbone interact. energy: -3.518
local terms energy: -817.770069
where:
bonds (distance) C4'-P energy: -144.934
bonds (distance) P-C4' energy: -140.192
flat angles C4'-P-C4' energy: -168.240
flat angles P-C4'-P energy: -121.481
tors. eta vs tors. theta energy: -242.923
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: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2546.580841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.580841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.580841 (E_RNA)
where:
Base-Base interactions energy: -1793.275
where: short stacking energy: -753.379
Base-Backbone interact. energy: -4.406
local terms energy: -748.900195
where:
bonds (distance) C4'-P energy: -140.671
bonds (distance) P-C4' energy: -139.412
flat angles C4'-P-C4' energy: -159.603
flat angles P-C4'-P energy: -92.333
tors. eta vs tors. theta energy: -216.881
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: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2507.896554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.896554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.896554 (E_RNA)
where:
Base-Base interactions energy: -1740.991
where: short stacking energy: -765.062
Base-Backbone interact. energy: -1.712
local terms energy: -765.193289
where:
bonds (distance) C4'-P energy: -129.036
bonds (distance) P-C4' energy: -133.183
flat angles C4'-P-C4' energy: -158.923
flat angles P-C4'-P energy: -109.268
tors. eta vs tors. theta energy: -234.783
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: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2362.521087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.521087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.521087 (E_RNA)
where:
Base-Base interactions energy: -1633.477
where: short stacking energy: -721.180
Base-Backbone interact. energy: -1.126
local terms energy: -727.918019
where:
bonds (distance) C4'-P energy: -128.921
bonds (distance) P-C4' energy: -133.627
flat angles C4'-P-C4' energy: -162.542
flat angles P-C4'-P energy: -99.000
tors. eta vs tors. theta energy: -203.828
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: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2249.511202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.511202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.511202 (E_RNA)
where:
Base-Base interactions energy: -1527.765
where: short stacking energy: -671.153
Base-Backbone interact. energy: 0.299
local terms energy: -722.045709
where:
bonds (distance) C4'-P energy: -125.263
bonds (distance) P-C4' energy: -148.003
flat angles C4'-P-C4' energy: -160.246
flat angles P-C4'-P energy: -98.713
tors. eta vs tors. theta energy: -189.820
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: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1872.145470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.145470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.145470 (E_RNA)
where:
Base-Base interactions energy: -1233.329
where: short stacking energy: -559.047
Base-Backbone interact. energy: -0.315
local terms energy: -638.501172
where:
bonds (distance) C4'-P energy: -136.272
bonds (distance) P-C4' energy: -129.392
flat angles C4'-P-C4' energy: -121.976
flat angles P-C4'-P energy: -88.385
tors. eta vs tors. theta energy: -162.476
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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1825.686591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.686591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.686591 (E_RNA)
where:
Base-Base interactions energy: -1185.926
where: short stacking energy: -528.748
Base-Backbone interact. energy: -1.048
local terms energy: -638.712368
where:
bonds (distance) C4'-P energy: -133.956
bonds (distance) P-C4' energy: -135.451
flat angles C4'-P-C4' energy: -140.917
flat angles P-C4'-P energy: -93.193
tors. eta vs tors. theta energy: -135.195
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: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1165.917771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.917771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.917771 (E_RNA)
where:
Base-Base interactions energy: -744.429
where: short stacking energy: -345.047
Base-Backbone interact. energy: -5.613
local terms energy: -415.875410
where:
bonds (distance) C4'-P energy: -98.437
bonds (distance) P-C4' energy: -89.239
flat angles C4'-P-C4' energy: -125.672
flat angles P-C4'-P energy: -68.512
tors. eta vs tors. theta energy: -34.016
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1069.676367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.676367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.676367 (E_RNA)
where:
Base-Base interactions energy: -592.100
where: short stacking energy: -314.787
Base-Backbone interact. energy: 3.509
local terms energy: -481.085433
where:
bonds (distance) C4'-P energy: -114.991
bonds (distance) P-C4' energy: -139.161
flat angles C4'-P-C4' energy: -110.633
flat angles P-C4'-P energy: -68.762
tors. eta vs tors. theta energy: -47.538
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: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -870.654230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.654230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.654230 (E_RNA)
where:
Base-Base interactions energy: -445.546
where: short stacking energy: -238.031
Base-Backbone interact. energy: 3.792
local terms energy: -428.900686
where:
bonds (distance) C4'-P energy: -121.185
bonds (distance) P-C4' energy: -119.946
flat angles C4'-P-C4' energy: -109.627
flat angles P-C4'-P energy: -51.931
tors. eta vs tors. theta energy: -26.211
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: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2665.725855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.725855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.725855 (E_RNA)
where:
Base-Base interactions energy: -1868.639
where: short stacking energy: -791.224
Base-Backbone interact. energy: -1.375
local terms energy: -795.711966
where:
bonds (distance) C4'-P energy: -150.726
bonds (distance) P-C4' energy: -138.868
flat angles C4'-P-C4' energy: -161.375
flat angles P-C4'-P energy: -99.192
tors. eta vs tors. theta energy: -245.551
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: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2549.615453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.615453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.615453 (E_RNA)
where:
Base-Base interactions energy: -1753.052
where: short stacking energy: -758.480
Base-Backbone interact. energy: -1.573
local terms energy: -794.990610
where:
bonds (distance) C4'-P energy: -147.636
bonds (distance) P-C4' energy: -139.350
flat angles C4'-P-C4' energy: -166.415
flat angles P-C4'-P energy: -116.729
tors. eta vs tors. theta energy: -224.861
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: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2481.031626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.031626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.031626 (E_RNA)
where:
Base-Base interactions energy: -1714.346
where: short stacking energy: -754.939
Base-Backbone interact. energy: -2.020
local terms energy: -764.665697
where:
bonds (distance) C4'-P energy: -133.634
bonds (distance) P-C4' energy: -123.911
flat angles C4'-P-C4' energy: -163.981
flat angles P-C4'-P energy: -117.786
tors. eta vs tors. theta energy: -225.354
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: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2414.137188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.137188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.137188 (E_RNA)
where:
Base-Base interactions energy: -1680.849
where: short stacking energy: -737.007
Base-Backbone interact. energy: -1.927
local terms energy: -731.361354
where:
bonds (distance) C4'-P energy: -122.738
bonds (distance) P-C4' energy: -143.888
flat angles C4'-P-C4' energy: -157.764
flat angles P-C4'-P energy: -92.483
tors. eta vs tors. theta energy: -214.489
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: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2209.412037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.412037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.412037 (E_RNA)
where:
Base-Base interactions energy: -1527.251
where: short stacking energy: -651.325
Base-Backbone interact. energy: -1.935
local terms energy: -680.225234
where:
bonds (distance) C4'-P energy: -134.723
bonds (distance) P-C4' energy: -121.371
flat angles C4'-P-C4' energy: -153.237
flat angles P-C4'-P energy: -95.665
tors. eta vs tors. theta energy: -175.228
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: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1877.598513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.598513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.598513 (E_RNA)
where:
Base-Base interactions energy: -1241.064
where: short stacking energy: -549.356
Base-Backbone interact. energy: -2.579
local terms energy: -633.955136
where:
bonds (distance) C4'-P energy: -122.399
bonds (distance) P-C4' energy: -126.159
flat angles C4'-P-C4' energy: -136.218
flat angles P-C4'-P energy: -82.042
tors. eta vs tors. theta energy: -167.137
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: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1777.171535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.171535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.171535 (E_RNA)
where:
Base-Base interactions energy: -1176.188
where: short stacking energy: -513.161
Base-Backbone interact. energy: 6.903
local terms energy: -607.887111
where:
bonds (distance) C4'-P energy: -116.683
bonds (distance) P-C4' energy: -135.584
flat angles C4'-P-C4' energy: -142.652
flat angles P-C4'-P energy: -84.445
tors. eta vs tors. theta energy: -128.524
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: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1223.577677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.577677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.577677 (E_RNA)
where:
Base-Base interactions energy: -766.400
where: short stacking energy: -350.755
Base-Backbone interact. energy: 1.310
local terms energy: -458.487773
where:
bonds (distance) C4'-P energy: -125.081
bonds (distance) P-C4' energy: -119.695
flat angles C4'-P-C4' energy: -127.852
flat angles P-C4'-P energy: -49.672
tors. eta vs tors. theta energy: -36.187
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: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1025.987990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.987990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.987990 (E_RNA)
where:
Base-Base interactions energy: -589.421
where: short stacking energy: -304.254
Base-Backbone interact. energy: -0.871
local terms energy: -435.696202
where:
bonds (distance) C4'-P energy: -120.996
bonds (distance) P-C4' energy: -111.958
flat angles C4'-P-C4' energy: -123.162
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -21.602
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: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -881.111439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.111439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.111439 (E_RNA)
where:
Base-Base interactions energy: -453.839
where: short stacking energy: -244.687
Base-Backbone interact. energy: 1.906
local terms energy: -429.178455
where:
bonds (distance) C4'-P energy: -115.641
bonds (distance) P-C4' energy: -116.032
flat angles C4'-P-C4' energy: -100.220
flat angles P-C4'-P energy: -74.934
tors. eta vs tors. theta energy: -22.351
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: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2654.680680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.680680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.680680 (E_RNA)
where:
Base-Base interactions energy: -1820.188
where: short stacking energy: -786.661
Base-Backbone interact. energy: -7.353
local terms energy: -827.140134
where:
bonds (distance) C4'-P energy: -150.064
bonds (distance) P-C4' energy: -152.722
flat angles C4'-P-C4' energy: -173.726
flat angles P-C4'-P energy: -110.147
tors. eta vs tors. theta energy: -240.481
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: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2548.310119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.310119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.310119 (E_RNA)
where:
Base-Base interactions energy: -1760.012
where: short stacking energy: -773.460
Base-Backbone interact. energy: -1.452
local terms energy: -786.846738
where:
bonds (distance) C4'-P energy: -138.462
bonds (distance) P-C4' energy: -142.336
flat angles C4'-P-C4' energy: -160.905
flat angles P-C4'-P energy: -113.364
tors. eta vs tors. theta energy: -231.780
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: 385
Temperature: 1.000000
Total energy: -2498.649665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.649665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.649665 (E_RNA)
where:
Base-Base interactions energy: -1723.566
where: short stacking energy: -734.347
Base-Backbone interact. energy: -4.443
local terms energy: -770.640653
where:
bonds (distance) C4'-P energy: -136.441
bonds (distance) P-C4' energy: -141.743
flat angles C4'-P-C4' energy: -178.689
flat angles P-C4'-P energy: -92.190
tors. eta vs tors. theta energy: -221.578
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: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2386.646650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.646650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.646650 (E_RNA)
where:
Base-Base interactions energy: -1629.686
where: short stacking energy: -717.365
Base-Backbone interact. energy: -1.584
local terms energy: -755.376244
where:
bonds (distance) C4'-P energy: -134.867
bonds (distance) P-C4' energy: -146.265
flat angles C4'-P-C4' energy: -154.679
flat angles P-C4'-P energy: -106.263
tors. eta vs tors. theta energy: -213.302
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: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2206.913201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.913201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.913201 (E_RNA)
where:
Base-Base interactions energy: -1524.908
where: short stacking energy: -645.615
Base-Backbone interact. energy: -1.547
local terms energy: -680.458734
where:
bonds (distance) C4'-P energy: -137.755
bonds (distance) P-C4' energy: -132.804
flat angles C4'-P-C4' energy: -131.391
flat angles P-C4'-P energy: -92.037
tors. eta vs tors. theta energy: -186.471
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: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1906.365509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.365509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.365509 (E_RNA)
where:
Base-Base interactions energy: -1284.492
where: short stacking energy: -551.935
Base-Backbone interact. energy: 1.426
local terms energy: -623.299523
where:
bonds (distance) C4'-P energy: -125.416
bonds (distance) P-C4' energy: -116.184
flat angles C4'-P-C4' energy: -141.634
flat angles P-C4'-P energy: -96.467
tors. eta vs tors. theta energy: -143.599
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: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1847.823580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.823580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.823580 (E_RNA)
where:
Base-Base interactions energy: -1216.541
where: short stacking energy: -555.001
Base-Backbone interact. energy: 0.181
local terms energy: -631.463252
where:
bonds (distance) C4'-P energy: -131.405
bonds (distance) P-C4' energy: -128.608
flat angles C4'-P-C4' energy: -141.311
flat angles P-C4'-P energy: -76.809
tors. eta vs tors. theta energy: -153.329
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: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1240.220391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.220391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.220391 (E_RNA)
where:
Base-Base interactions energy: -765.724
where: short stacking energy: -372.309
Base-Backbone interact. energy: -3.191
local terms energy: -471.304888
where:
bonds (distance) C4'-P energy: -116.435
bonds (distance) P-C4' energy: -128.113
flat angles C4'-P-C4' energy: -103.895
flat angles P-C4'-P energy: -61.352
tors. eta vs tors. theta energy: -61.510
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: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1007.948221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.948221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.948221 (E_RNA)
where:
Base-Base interactions energy: -572.839
where: short stacking energy: -273.377
Base-Backbone interact. energy: 3.220
local terms energy: -438.329080
where:
bonds (distance) C4'-P energy: -111.867
bonds (distance) P-C4' energy: -118.989
flat angles C4'-P-C4' energy: -122.051
flat angles P-C4'-P energy: -69.246
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_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: 385
Temperature: 1.350000
Total energy: -878.576390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.576390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.576390 (E_RNA)
where:
Base-Base interactions energy: -467.753
where: short stacking energy: -243.261
Base-Backbone interact. energy: -0.389
local terms energy: -410.433942
where:
bonds (distance) C4'-P energy: -136.236
bonds (distance) P-C4' energy: -120.470
flat angles C4'-P-C4' energy: -97.581
flat angles P-C4'-P energy: -51.246
tors. eta vs tors. theta energy: -4.900
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: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2649.880506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.880506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.880506 (E_RNA)
where:
Base-Base interactions energy: -1830.310
where: short stacking energy: -808.801
Base-Backbone interact. energy: -3.287
local terms energy: -816.283240
where:
bonds (distance) C4'-P energy: -141.926
bonds (distance) P-C4' energy: -149.043
flat angles C4'-P-C4' energy: -173.810
flat angles P-C4'-P energy: -110.169
tors. eta vs tors. theta energy: -241.335
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: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2541.335443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.335443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.335443 (E_RNA)
where:
Base-Base interactions energy: -1765.383
where: short stacking energy: -748.150
Base-Backbone interact. energy: -1.710
local terms energy: -774.242439
where:
bonds (distance) C4'-P energy: -140.154
bonds (distance) P-C4' energy: -141.265
flat angles C4'-P-C4' energy: -166.741
flat angles P-C4'-P energy: -96.913
tors. eta vs tors. theta energy: -229.170
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: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2491.759263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.759263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.759263 (E_RNA)
where:
Base-Base interactions energy: -1722.257
where: short stacking energy: -740.937
Base-Backbone interact. energy: -1.057
local terms energy: -768.444825
where:
bonds (distance) C4'-P energy: -135.465
bonds (distance) P-C4' energy: -144.307
flat angles C4'-P-C4' energy: -158.106
flat angles P-C4'-P energy: -109.914
tors. eta vs tors. theta energy: -220.652
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: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2385.406695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.406695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.406695 (E_RNA)
where:
Base-Base interactions energy: -1641.913
where: short stacking energy: -718.265
Base-Backbone interact. energy: -0.506
local terms energy: -742.987797
where:
bonds (distance) C4'-P energy: -130.015
bonds (distance) P-C4' energy: -128.239
flat angles C4'-P-C4' energy: -169.300
flat angles P-C4'-P energy: -109.153
tors. eta vs tors. theta energy: -206.281
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: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2194.707355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.707355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.707355 (E_RNA)
where:
Base-Base interactions energy: -1492.007
where: short stacking energy: -652.479
Base-Backbone interact. energy: -0.611
local terms energy: -702.089508
where:
bonds (distance) C4'-P energy: -133.422
bonds (distance) P-C4' energy: -126.972
flat angles C4'-P-C4' energy: -159.790
flat angles P-C4'-P energy: -104.371
tors. eta vs tors. theta energy: -177.534
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: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1893.714745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.714745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.714745 (E_RNA)
where:
Base-Base interactions energy: -1264.732
where: short stacking energy: -581.868
Base-Backbone interact. energy: -1.963
local terms energy: -627.020081
where:
bonds (distance) C4'-P energy: -115.997
bonds (distance) P-C4' energy: -140.626
flat angles C4'-P-C4' energy: -139.759
flat angles P-C4'-P energy: -80.290
tors. eta vs tors. theta energy: -150.348
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: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1838.308176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.308176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.308176 (E_RNA)
where:
Base-Base interactions energy: -1202.121
where: short stacking energy: -532.525
Base-Backbone interact. energy: -0.368
local terms energy: -635.819633
where:
bonds (distance) C4'-P energy: -122.420
bonds (distance) P-C4' energy: -140.915
flat angles C4'-P-C4' energy: -149.006
flat angles P-C4'-P energy: -75.164
tors. eta vs tors. theta energy: -148.314
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: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1211.098260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.098260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.098260 (E_RNA)
where:
Base-Base interactions energy: -718.311
where: short stacking energy: -334.624
Base-Backbone interact. energy: 2.959
local terms energy: -495.746376
where:
bonds (distance) C4'-P energy: -116.301
bonds (distance) P-C4' energy: -141.270
flat angles C4'-P-C4' energy: -117.459
flat angles P-C4'-P energy: -86.590
tors. eta vs tors. theta energy: -34.126
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: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -957.255006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.255006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.255006 (E_RNA)
where:
Base-Base interactions energy: -537.681
where: short stacking energy: -288.324
Base-Backbone interact. energy: 6.274
local terms energy: -425.848518
where:
bonds (distance) C4'-P energy: -97.385
bonds (distance) P-C4' energy: -124.413
flat angles C4'-P-C4' energy: -110.913
flat angles P-C4'-P energy: -71.010
tors. eta vs tors. theta energy: -22.128
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: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -887.828766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.828766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.828766 (E_RNA)
where:
Base-Base interactions energy: -470.897
where: short stacking energy: -253.266
Base-Backbone interact. energy: 4.120
local terms energy: -421.051852
where:
bonds (distance) C4'-P energy: -115.775
bonds (distance) P-C4' energy: -107.287
flat angles C4'-P-C4' energy: -113.754
flat angles P-C4'-P energy: -73.594
tors. eta vs tors. theta energy: -10.642
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: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2653.545201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.545201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.545201 (E_RNA)
where:
Base-Base interactions energy: -1815.892
where: short stacking energy: -809.389
Base-Backbone interact. energy: -1.959
local terms energy: -835.693955
where:
bonds (distance) C4'-P energy: -147.329
bonds (distance) P-C4' energy: -154.461
flat angles C4'-P-C4' energy: -171.457
flat angles P-C4'-P energy: -108.885
tors. eta vs tors. theta energy: -253.562
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: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2546.137132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.137132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.137132 (E_RNA)
where:
Base-Base interactions energy: -1734.877
where: short stacking energy: -760.874
Base-Backbone interact. energy: -3.472
local terms energy: -807.787868
where:
bonds (distance) C4'-P energy: -152.649
bonds (distance) P-C4' energy: -150.352
flat angles C4'-P-C4' energy: -156.731
flat angles P-C4'-P energy: -119.492
tors. eta vs tors. theta energy: -228.564
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: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2461.063157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.063157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.063157 (E_RNA)
where:
Base-Base interactions energy: -1724.270
where: short stacking energy: -693.123
Base-Backbone interact. energy: -4.013
local terms energy: -732.780279
where:
bonds (distance) C4'-P energy: -133.568
bonds (distance) P-C4' energy: -126.946
flat angles C4'-P-C4' energy: -159.284
flat angles P-C4'-P energy: -95.768
tors. eta vs tors. theta energy: -217.213
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: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2417.751940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.751940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.751940 (E_RNA)
where:
Base-Base interactions energy: -1673.601
where: short stacking energy: -724.893
Base-Backbone interact. energy: -1.809
local terms energy: -742.341492
where:
bonds (distance) C4'-P energy: -134.342
bonds (distance) P-C4' energy: -126.852
flat angles C4'-P-C4' energy: -163.118
flat angles P-C4'-P energy: -118.189
tors. eta vs tors. theta energy: -199.841
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: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2228.460866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.460866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.460866 (E_RNA)
where:
Base-Base interactions energy: -1537.836
where: short stacking energy: -643.158
Base-Backbone interact. energy: 1.645
local terms energy: -692.269311
where:
bonds (distance) C4'-P energy: -124.572
bonds (distance) P-C4' energy: -129.008
flat angles C4'-P-C4' energy: -152.171
flat angles P-C4'-P energy: -95.122
tors. eta vs tors. theta energy: -191.395
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: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1905.389658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.389658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.389658 (E_RNA)
where:
Base-Base interactions energy: -1250.359
where: short stacking energy: -591.517
Base-Backbone interact. energy: -3.260
local terms energy: -651.770554
where:
bonds (distance) C4'-P energy: -117.731
bonds (distance) P-C4' energy: -135.456
flat angles C4'-P-C4' energy: -155.001
flat angles P-C4'-P energy: -91.457
tors. eta vs tors. theta energy: -152.126
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: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1784.515522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.515522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.515522 (E_RNA)
where:
Base-Base interactions energy: -1172.430
where: short stacking energy: -517.026
Base-Backbone interact. energy: 0.140
local terms energy: -612.225552
where:
bonds (distance) C4'-P energy: -122.985
bonds (distance) P-C4' energy: -126.591
flat angles C4'-P-C4' energy: -145.365
flat angles P-C4'-P energy: -86.279
tors. eta vs tors. theta energy: -131.005
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: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1331.630748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.630748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.630748 (E_RNA)
where:
Base-Base interactions energy: -844.407
where: short stacking energy: -407.740
Base-Backbone interact. energy: 2.427
local terms energy: -489.650655
where:
bonds (distance) C4'-P energy: -121.008
bonds (distance) P-C4' energy: -121.026
flat angles C4'-P-C4' energy: -121.167
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -71.414
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: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -950.093397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.093397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.093397 (E_RNA)
where:
Base-Base interactions energy: -515.196
where: short stacking energy: -270.799
Base-Backbone interact. energy: -1.793
local terms energy: -433.103882
where:
bonds (distance) C4'-P energy: -117.191
bonds (distance) P-C4' energy: -121.682
flat angles C4'-P-C4' energy: -112.537
flat angles P-C4'-P energy: -66.334
tors. eta vs tors. theta energy: -15.360
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: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -838.666708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.666708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.666708 (E_RNA)
where:
Base-Base interactions energy: -421.021
where: short stacking energy: -230.681
Base-Backbone interact. energy: 2.419
local terms energy: -420.064787
where:
bonds (distance) C4'-P energy: -97.787
bonds (distance) P-C4' energy: -114.528
flat angles C4'-P-C4' energy: -126.082
flat angles P-C4'-P energy: -68.290
tors. eta vs tors. theta energy: -13.378
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: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2650.740468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.740468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.740468 (E_RNA)
where:
Base-Base interactions energy: -1823.062
where: short stacking energy: -809.534
Base-Backbone interact. energy: -3.712
local terms energy: -823.965803
where:
bonds (distance) C4'-P energy: -151.684
bonds (distance) P-C4' energy: -152.469
flat angles C4'-P-C4' energy: -163.760
flat angles P-C4'-P energy: -107.422
tors. eta vs tors. theta energy: -248.631
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: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2564.449305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.449305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.449305 (E_RNA)
where:
Base-Base interactions energy: -1756.138
where: short stacking energy: -774.437
Base-Backbone interact. energy: -0.949
local terms energy: -807.362450
where:
bonds (distance) C4'-P energy: -146.613
bonds (distance) P-C4' energy: -141.727
flat angles C4'-P-C4' energy: -164.612
flat angles P-C4'-P energy: -109.874
tors. eta vs tors. theta energy: -244.538
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: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2486.544172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.544172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.544172 (E_RNA)
where:
Base-Base interactions energy: -1699.773
where: short stacking energy: -695.637
Base-Backbone interact. energy: -4.364
local terms energy: -782.407127
where:
bonds (distance) C4'-P energy: -142.479
bonds (distance) P-C4' energy: -146.616
flat angles C4'-P-C4' energy: -159.430
flat angles P-C4'-P energy: -110.554
tors. eta vs tors. theta energy: -223.329
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: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2406.178895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.178895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.178895 (E_RNA)
where:
Base-Base interactions energy: -1632.979
where: short stacking energy: -724.427
Base-Backbone interact. energy: -2.865
local terms energy: -770.334603
where:
bonds (distance) C4'-P energy: -139.188
bonds (distance) P-C4' energy: -149.536
flat angles C4'-P-C4' energy: -157.928
flat angles P-C4'-P energy: -115.023
tors. eta vs tors. theta energy: -208.661
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: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2208.502732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.502732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.502732 (E_RNA)
where:
Base-Base interactions energy: -1509.587
where: short stacking energy: -643.136
Base-Backbone interact. energy: 0.799
local terms energy: -699.714527
where:
bonds (distance) C4'-P energy: -132.151
bonds (distance) P-C4' energy: -134.717
flat angles C4'-P-C4' energy: -159.832
flat angles P-C4'-P energy: -83.466
tors. eta vs tors. theta energy: -189.548
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: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1916.368977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.368977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.368977 (E_RNA)
where:
Base-Base interactions energy: -1299.711
where: short stacking energy: -562.765
Base-Backbone interact. energy: -3.389
local terms energy: -613.269053
where:
bonds (distance) C4'-P energy: -123.535
bonds (distance) P-C4' energy: -117.994
flat angles C4'-P-C4' energy: -147.491
flat angles P-C4'-P energy: -83.384
tors. eta vs tors. theta energy: -140.867
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: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1961.526247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.526247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.526247 (E_RNA)
where:
Base-Base interactions energy: -1328.078
where: short stacking energy: -562.821
Base-Backbone interact. energy: -0.271
local terms energy: -633.176797
where:
bonds (distance) C4'-P energy: -117.189
bonds (distance) P-C4' energy: -114.520
flat angles C4'-P-C4' energy: -138.787
flat angles P-C4'-P energy: -95.442
tors. eta vs tors. theta energy: -167.239
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: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1341.952581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.952581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.952581 (E_RNA)
where:
Base-Base interactions energy: -798.433
where: short stacking energy: -353.474
Base-Backbone interact. energy: -2.809
local terms energy: -540.710361
where:
bonds (distance) C4'-P energy: -123.688
bonds (distance) P-C4' energy: -120.625
flat angles C4'-P-C4' energy: -132.649
flat angles P-C4'-P energy: -84.143
tors. eta vs tors. theta energy: -79.606
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: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -890.241155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.241155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.241155 (E_RNA)
where:
Base-Base interactions energy: -465.876
where: short stacking energy: -237.610
Base-Backbone interact. energy: -0.513
local terms energy: -423.852649
where:
bonds (distance) C4'-P energy: -116.655
bonds (distance) P-C4' energy: -115.549
flat angles C4'-P-C4' energy: -116.335
flat angles P-C4'-P energy: -55.472
tors. eta vs tors. theta energy: -19.841
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: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -856.980892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.980892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.980892 (E_RNA)
where:
Base-Base interactions energy: -425.932
where: short stacking energy: -235.393
Base-Backbone interact. energy: 1.143
local terms energy: -432.191947
where:
bonds (distance) C4'-P energy: -116.040
bonds (distance) P-C4' energy: -127.262
flat angles C4'-P-C4' energy: -116.290
flat angles P-C4'-P energy: -60.368
tors. eta vs tors. theta energy: -12.232
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: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2672.372689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.372689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.372689 (E_RNA)
where:
Base-Base interactions energy: -1849.645
where: short stacking energy: -805.439
Base-Backbone interact. energy: -3.360
local terms energy: -819.367891
where:
bonds (distance) C4'-P energy: -132.917
bonds (distance) P-C4' energy: -150.797
flat angles C4'-P-C4' energy: -167.489
flat angles P-C4'-P energy: -120.555
tors. eta vs tors. theta energy: -247.610
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: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2519.416891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.416891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.416891 (E_RNA)
where:
Base-Base interactions energy: -1730.977
where: short stacking energy: -738.163
Base-Backbone interact. energy: -5.186
local terms energy: -783.252998
where:
bonds (distance) C4'-P energy: -136.700
bonds (distance) P-C4' energy: -151.681
flat angles C4'-P-C4' energy: -165.425
flat angles P-C4'-P energy: -112.185
tors. eta vs tors. theta energy: -217.262
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: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2503.803459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.803459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.803459 (E_RNA)
where:
Base-Base interactions energy: -1745.759
where: short stacking energy: -750.947
Base-Backbone interact. energy: -1.634
local terms energy: -756.410071
where:
bonds (distance) C4'-P energy: -120.420
bonds (distance) P-C4' energy: -132.209
flat angles C4'-P-C4' energy: -168.999
flat angles P-C4'-P energy: -107.959
tors. eta vs tors. theta energy: -226.822
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: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2416.342850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.342850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.342850 (E_RNA)
where:
Base-Base interactions energy: -1658.414
where: short stacking energy: -737.316
Base-Backbone interact. energy: -4.100
local terms energy: -753.828494
where:
bonds (distance) C4'-P energy: -137.522
bonds (distance) P-C4' energy: -123.419
flat angles C4'-P-C4' energy: -161.811
flat angles P-C4'-P energy: -102.122
tors. eta vs tors. theta energy: -228.955
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: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2265.486631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.486631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.486631 (E_RNA)
where:
Base-Base interactions energy: -1600.939
where: short stacking energy: -678.919
Base-Backbone interact. energy: -2.836
local terms energy: -661.710981
where:
bonds (distance) C4'-P energy: -115.883
bonds (distance) P-C4' energy: -130.525
flat angles C4'-P-C4' energy: -140.732
flat angles P-C4'-P energy: -96.954
tors. eta vs tors. theta energy: -177.616
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: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1987.162972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.162972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.162972 (E_RNA)
where:
Base-Base interactions energy: -1309.425
where: short stacking energy: -589.838
Base-Backbone interact. energy: -1.615
local terms energy: -676.123060
where:
bonds (distance) C4'-P energy: -138.923
bonds (distance) P-C4' energy: -149.784
flat angles C4'-P-C4' energy: -142.048
flat angles P-C4'-P energy: -81.264
tors. eta vs tors. theta energy: -164.105
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: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1876.049221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.049221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.049221 (E_RNA)
where:
Base-Base interactions energy: -1239.461
where: short stacking energy: -552.463
Base-Backbone interact. energy: 6.020
local terms energy: -642.608311
where:
bonds (distance) C4'-P energy: -117.496
bonds (distance) P-C4' energy: -139.282
flat angles C4'-P-C4' energy: -127.044
flat angles P-C4'-P energy: -101.803
tors. eta vs tors. theta energy: -156.984
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: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1392.521579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.521579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.521579 (E_RNA)
where:
Base-Base interactions energy: -862.164
where: short stacking energy: -416.088
Base-Backbone interact. energy: -1.293
local terms energy: -529.064646
where:
bonds (distance) C4'-P energy: -133.036
bonds (distance) P-C4' energy: -121.109
flat angles C4'-P-C4' energy: -120.141
flat angles P-C4'-P energy: -70.755
tors. eta vs tors. theta energy: -84.024
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: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -914.497291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.497291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.497291 (E_RNA)
where:
Base-Base interactions energy: -490.728
where: short stacking energy: -263.938
Base-Backbone interact. energy: 8.581
local terms energy: -432.350610
where:
bonds (distance) C4'-P energy: -126.206
bonds (distance) P-C4' energy: -109.410
flat angles C4'-P-C4' energy: -106.090
flat angles P-C4'-P energy: -58.577
tors. eta vs tors. theta energy: -32.068
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: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -822.041968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.041968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.041968 (E_RNA)
where:
Base-Base interactions energy: -415.353
where: short stacking energy: -260.394
Base-Backbone interact. energy: 1.602
local terms energy: -408.290511
where:
bonds (distance) C4'-P energy: -101.000
bonds (distance) P-C4' energy: -139.224
flat angles C4'-P-C4' energy: -102.800
flat angles P-C4'-P energy: -60.169
tors. eta vs tors. theta energy: -5.097
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: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2635.883570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.883570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.883570 (E_RNA)
where:
Base-Base interactions energy: -1814.466
where: short stacking energy: -795.278
Base-Backbone interact. energy: -4.175
local terms energy: -817.242243
where:
bonds (distance) C4'-P energy: -141.813
bonds (distance) P-C4' energy: -155.183
flat angles C4'-P-C4' energy: -172.249
flat angles P-C4'-P energy: -107.607
tors. eta vs tors. theta energy: -240.390
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: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2508.426531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.426531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.426531 (E_RNA)
where:
Base-Base interactions energy: -1735.915
where: short stacking energy: -752.996
Base-Backbone interact. energy: 1.989
local terms energy: -774.499808
where:
bonds (distance) C4'-P energy: -135.618
bonds (distance) P-C4' energy: -149.117
flat angles C4'-P-C4' energy: -164.165
flat angles P-C4'-P energy: -108.518
tors. eta vs tors. theta energy: -217.081
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: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2470.224503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.224503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.224503 (E_RNA)
where:
Base-Base interactions energy: -1692.698
where: short stacking energy: -744.141
Base-Backbone interact. energy: -2.885
local terms energy: -774.641417
where:
bonds (distance) C4'-P energy: -136.809
bonds (distance) P-C4' energy: -142.963
flat angles C4'-P-C4' energy: -150.096
flat angles P-C4'-P energy: -115.509
tors. eta vs tors. theta energy: -229.265
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: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2425.043122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.043122 (E_RNA)
where:
Base-Base interactions energy: -1645.846
where: short stacking energy: -731.279
Base-Backbone interact. energy: -0.053
local terms energy: -779.143982
where:
bonds (distance) C4'-P energy: -137.753
bonds (distance) P-C4' energy: -143.532
flat angles C4'-P-C4' energy: -161.801
flat angles P-C4'-P energy: -104.971
tors. eta vs tors. theta energy: -231.088
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: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2237.274440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.274440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.274440 (E_RNA)
where:
Base-Base interactions energy: -1532.489
where: short stacking energy: -659.458
Base-Backbone interact. energy: 6.556
local terms energy: -711.341111
where:
bonds (distance) C4'-P energy: -124.239
bonds (distance) P-C4' energy: -143.394
flat angles C4'-P-C4' energy: -152.203
flat angles P-C4'-P energy: -108.249
tors. eta vs tors. theta energy: -183.257
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: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1959.618443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.618443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.618443 (E_RNA)
where:
Base-Base interactions energy: -1282.153
where: short stacking energy: -566.454
Base-Backbone interact. energy: -2.718
local terms energy: -674.747358
where:
bonds (distance) C4'-P energy: -137.404
bonds (distance) P-C4' energy: -140.273
flat angles C4'-P-C4' energy: -146.152
flat angles P-C4'-P energy: -95.150
tors. eta vs tors. theta energy: -155.769
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: 390
Temperature: 1.200000
Total energy: -1813.728428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.728428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.728428 (E_RNA)
where:
Base-Base interactions energy: -1216.490
where: short stacking energy: -512.842
Base-Backbone interact. energy: -0.973
local terms energy: -596.266065
where:
bonds (distance) C4'-P energy: -129.126
bonds (distance) P-C4' energy: -115.707
flat angles C4'-P-C4' energy: -140.906
flat angles P-C4'-P energy: -77.991
tors. eta vs tors. theta energy: -132.535
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: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1378.597104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.597104 (E_RNA)
where:
Base-Base interactions energy: -893.298
where: short stacking energy: -427.970
Base-Backbone interact. energy: 0.273
local terms energy: -485.572796
where:
bonds (distance) C4'-P energy: -98.940
bonds (distance) P-C4' energy: -117.309
flat angles C4'-P-C4' energy: -124.611
flat angles P-C4'-P energy: -64.999
tors. eta vs tors. theta energy: -79.713
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: 2
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -854.310153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.310153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.310153 (E_RNA)
where:
Base-Base interactions energy: -427.026
where: short stacking energy: -237.834
Base-Backbone interact. energy: 1.548
local terms energy: -428.831287
where:
bonds (distance) C4'-P energy: -125.754
bonds (distance) P-C4' energy: -124.057
flat angles C4'-P-C4' energy: -111.015
flat angles P-C4'-P energy: -63.502
tors. eta vs tors. theta energy: -4.504
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: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -779.589628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.589628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.589628 (E_RNA)
where:
Base-Base interactions energy: -397.908
where: short stacking energy: -245.531
Base-Backbone interact. energy: 0.901
local terms energy: -382.583013
where:
bonds (distance) C4'-P energy: -121.308
bonds (distance) P-C4' energy: -134.697
flat angles C4'-P-C4' energy: -103.483
flat angles P-C4'-P energy: -37.998
tors. eta vs tors. theta energy: 14.903
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: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2653.379394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.379394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.379394 (E_RNA)
where:
Base-Base interactions energy: -1821.619
where: short stacking energy: -794.787
Base-Backbone interact. energy: -2.539
local terms energy: -829.221899
where:
bonds (distance) C4'-P energy: -146.991
bonds (distance) P-C4' energy: -151.351
flat angles C4'-P-C4' energy: -171.919
flat angles P-C4'-P energy: -115.590
tors. eta vs tors. theta energy: -243.372
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: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2505.490389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.490389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.490389 (E_RNA)
where:
Base-Base interactions energy: -1712.003
where: short stacking energy: -759.611
Base-Backbone interact. energy: -3.241
local terms energy: -790.246355
where:
bonds (distance) C4'-P energy: -136.547
bonds (distance) P-C4' energy: -150.181
flat angles C4'-P-C4' energy: -163.026
flat angles P-C4'-P energy: -114.998
tors. eta vs tors. theta energy: -225.494
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: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2456.894611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.894611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.894611 (E_RNA)
where:
Base-Base interactions energy: -1722.155
where: short stacking energy: -712.679
Base-Backbone interact. energy: -5.015
local terms energy: -729.725186
where:
bonds (distance) C4'-P energy: -119.126
bonds (distance) P-C4' energy: -122.802
flat angles C4'-P-C4' energy: -163.603
flat angles P-C4'-P energy: -110.870
tors. eta vs tors. theta energy: -213.324
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: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2382.101610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.101610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.101610 (E_RNA)
where:
Base-Base interactions energy: -1637.576
where: short stacking energy: -721.543
Base-Backbone interact. energy: -2.219
local terms energy: -742.306775
where:
bonds (distance) C4'-P energy: -136.657
bonds (distance) P-C4' energy: -139.711
flat angles C4'-P-C4' energy: -164.116
flat angles P-C4'-P energy: -92.208
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: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2212.096136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.096136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.096136 (E_RNA)
where:
Base-Base interactions energy: -1498.327
where: short stacking energy: -626.801
Base-Backbone interact. energy: -1.255
local terms energy: -712.513846
where:
bonds (distance) C4'-P energy: -151.969
bonds (distance) P-C4' energy: -141.989
flat angles C4'-P-C4' energy: -151.810
flat angles P-C4'-P energy: -91.944
tors. eta vs tors. theta energy: -174.801
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: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1974.802747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.802747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.802747 (E_RNA)
where:
Base-Base interactions energy: -1321.937
where: short stacking energy: -568.422
Base-Backbone interact. energy: -2.114
local terms energy: -650.751200
where:
bonds (distance) C4'-P energy: -120.450
bonds (distance) P-C4' energy: -125.279
flat angles C4'-P-C4' energy: -154.357
flat angles P-C4'-P energy: -96.656
tors. eta vs tors. theta energy: -154.010
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: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1736.907517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.907517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.907517 (E_RNA)
where:
Base-Base interactions energy: -1150.936
where: short stacking energy: -517.548
Base-Backbone interact. energy: -2.076
local terms energy: -583.895222
where:
bonds (distance) C4'-P energy: -126.476
bonds (distance) P-C4' energy: -118.171
flat angles C4'-P-C4' energy: -124.381
flat angles P-C4'-P energy: -83.862
tors. eta vs tors. theta energy: -131.005
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: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1424.818368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.818368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.818368 (E_RNA)
where:
Base-Base interactions energy: -912.608
where: short stacking energy: -407.033
Base-Backbone interact. energy: 1.293
local terms energy: -513.503173
where:
bonds (distance) C4'-P energy: -95.335
bonds (distance) P-C4' energy: -134.181
flat angles C4'-P-C4' energy: -132.447
flat angles P-C4'-P energy: -76.902
tors. eta vs tors. theta energy: -74.640
Dist. restrs. and SS energy: 0.000 (S_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: 391
Temperature: 1.300000
Total energy: -871.115095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.115095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.115095 (E_RNA)
where:
Base-Base interactions energy: -441.731
where: short stacking energy: -254.796
Base-Backbone interact. energy: -3.114
local terms energy: -426.270081
where:
bonds (distance) C4'-P energy: -122.651
bonds (distance) P-C4' energy: -132.254
flat angles C4'-P-C4' energy: -117.082
flat angles P-C4'-P energy: -51.629
tors. eta vs tors. theta energy: -2.653
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: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -774.099953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.099953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.099953 (E_RNA)
where:
Base-Base interactions energy: -388.166
where: short stacking energy: -236.871
Base-Backbone interact. energy: 1.440
local terms energy: -387.374032
where:
bonds (distance) C4'-P energy: -111.946
bonds (distance) P-C4' energy: -119.551
flat angles C4'-P-C4' energy: -100.289
flat angles P-C4'-P energy: -61.409
tors. eta vs tors. theta energy: 5.820
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: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2655.865575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.865575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.865575 (E_RNA)
where:
Base-Base interactions energy: -1850.488
where: short stacking energy: -806.374
Base-Backbone interact. energy: 0.417
local terms energy: -805.794579
where:
bonds (distance) C4'-P energy: -135.026
bonds (distance) P-C4' energy: -146.102
flat angles C4'-P-C4' energy: -175.455
flat angles P-C4'-P energy: -105.417
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: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2540.369163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.369163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.369163 (E_RNA)
where:
Base-Base interactions energy: -1753.074
where: short stacking energy: -778.047
Base-Backbone interact. energy: -4.067
local terms energy: -783.228610
where:
bonds (distance) C4'-P energy: -137.396
bonds (distance) P-C4' energy: -138.627
flat angles C4'-P-C4' energy: -158.298
flat angles P-C4'-P energy: -107.732
tors. eta vs tors. theta energy: -241.175
Dist. restrs. and SS energy: 0.000 (S_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: 392
Temperature: 1.000000
Total energy: -2494.017275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.017275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.017275 (E_RNA)
where:
Base-Base interactions energy: -1730.946
where: short stacking energy: -723.018
Base-Backbone interact. energy: 3.515
local terms energy: -766.586429
where:
bonds (distance) C4'-P energy: -146.191
bonds (distance) P-C4' energy: -130.391
flat angles C4'-P-C4' energy: -170.078
flat angles P-C4'-P energy: -109.240
tors. eta vs tors. theta energy: -210.686
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: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2433.750644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.750644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.750644 (E_RNA)
where:
Base-Base interactions energy: -1683.449
where: short stacking energy: -727.496
Base-Backbone interact. energy: -2.445
local terms energy: -747.857121
where:
bonds (distance) C4'-P energy: -125.940
bonds (distance) P-C4' energy: -124.976
flat angles C4'-P-C4' energy: -159.992
flat angles P-C4'-P energy: -109.477
tors. eta vs tors. theta energy: -227.472
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: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2228.963022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.963022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.963022 (E_RNA)
where:
Base-Base interactions energy: -1513.369
where: short stacking energy: -651.705
Base-Backbone interact. energy: -4.260
local terms energy: -711.333989
where:
bonds (distance) C4'-P energy: -130.303
bonds (distance) P-C4' energy: -130.902
flat angles C4'-P-C4' energy: -156.665
flat angles P-C4'-P energy: -92.610
tors. eta vs tors. theta energy: -200.854
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: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1963.593652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.593652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.593652 (E_RNA)
where:
Base-Base interactions energy: -1328.711
where: short stacking energy: -593.467
Base-Backbone interact. energy: -0.930
local terms energy: -633.952151
where:
bonds (distance) C4'-P energy: -124.419
bonds (distance) P-C4' energy: -120.378
flat angles C4'-P-C4' energy: -140.593
flat angles P-C4'-P energy: -88.605
tors. eta vs tors. theta energy: -159.957
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: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1681.970498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.970498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.970498 (E_RNA)
where:
Base-Base interactions energy: -1100.393
where: short stacking energy: -483.141
Base-Backbone interact. energy: -6.700
local terms energy: -574.878362
where:
bonds (distance) C4'-P energy: -112.777
bonds (distance) P-C4' energy: -129.627
flat angles C4'-P-C4' energy: -133.465
flat angles P-C4'-P energy: -86.532
tors. eta vs tors. theta energy: -112.479
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: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1409.448452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.448452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.448452 (E_RNA)
where:
Base-Base interactions energy: -891.086
where: short stacking energy: -392.944
Base-Backbone interact. energy: 2.434
local terms energy: -520.796564
where:
bonds (distance) C4'-P energy: -143.887
bonds (distance) P-C4' energy: -111.475
flat angles C4'-P-C4' energy: -113.637
flat angles P-C4'-P energy: -74.188
tors. eta vs tors. theta energy: -77.609
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: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -853.925573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.925573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.925573 (E_RNA)
where:
Base-Base interactions energy: -442.240
where: short stacking energy: -247.298
Base-Backbone interact. energy: -1.992
local terms energy: -409.693380
where:
bonds (distance) C4'-P energy: -111.229
bonds (distance) P-C4' energy: -128.500
flat angles C4'-P-C4' energy: -102.997
flat angles P-C4'-P energy: -55.867
tors. eta vs tors. theta energy: -11.101
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: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -716.804553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.804553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.804553 (E_RNA)
where:
Base-Base interactions energy: -356.995
where: short stacking energy: -207.662
Base-Backbone interact. energy: 3.756
local terms energy: -363.566356
where:
bonds (distance) C4'-P energy: -112.211
bonds (distance) P-C4' energy: -106.090
flat angles C4'-P-C4' energy: -106.972
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: 1.534
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: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2631.383062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.383062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.383062 (E_RNA)
where:
Base-Base interactions energy: -1821.854
where: short stacking energy: -810.887
Base-Backbone interact. energy: -1.993
local terms energy: -807.535886
where:
bonds (distance) C4'-P energy: -139.108
bonds (distance) P-C4' energy: -149.466
flat angles C4'-P-C4' energy: -167.909
flat angles P-C4'-P energy: -110.821
tors. eta vs tors. theta energy: -240.231
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: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2534.995193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.995193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.995193 (E_RNA)
where:
Base-Base interactions energy: -1720.218
where: short stacking energy: -763.173
Base-Backbone interact. energy: -2.486
local terms energy: -812.290792
where:
bonds (distance) C4'-P energy: -152.520
bonds (distance) P-C4' energy: -149.172
flat angles C4'-P-C4' energy: -160.738
flat angles P-C4'-P energy: -112.126
tors. eta vs tors. theta energy: -237.735
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: 393
Temperature: 1.000000
Total energy: -2449.666091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.666091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.666091 (E_RNA)
where:
Base-Base interactions energy: -1692.684
where: short stacking energy: -695.935
Base-Backbone interact. energy: -1.885
local terms energy: -755.097744
where:
bonds (distance) C4'-P energy: -126.055
bonds (distance) P-C4' energy: -145.455
flat angles C4'-P-C4' energy: -160.572
flat angles P-C4'-P energy: -112.487
tors. eta vs tors. theta energy: -210.529
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: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2443.576847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.576847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.576847 (E_RNA)
where:
Base-Base interactions energy: -1671.698
where: short stacking energy: -718.921
Base-Backbone interact. energy: -2.610
local terms energy: -769.269260
where:
bonds (distance) C4'-P energy: -131.370
bonds (distance) P-C4' energy: -144.613
flat angles C4'-P-C4' energy: -165.499
flat angles P-C4'-P energy: -108.891
tors. eta vs tors. theta energy: -218.897
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: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2195.971644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.971644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.971644 (E_RNA)
where:
Base-Base interactions energy: -1506.091
where: short stacking energy: -657.566
Base-Backbone interact. energy: -4.281
local terms energy: -685.600124
where:
bonds (distance) C4'-P energy: -113.602
bonds (distance) P-C4' energy: -128.716
flat angles C4'-P-C4' energy: -151.924
flat angles P-C4'-P energy: -99.046
tors. eta vs tors. theta energy: -192.312
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: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1973.315841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.315841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.315841 (E_RNA)
where:
Base-Base interactions energy: -1324.124
where: short stacking energy: -566.421
Base-Backbone interact. energy: -1.631
local terms energy: -647.560940
where:
bonds (distance) C4'-P energy: -138.604
bonds (distance) P-C4' energy: -123.117
flat angles C4'-P-C4' energy: -143.214
flat angles P-C4'-P energy: -89.917
tors. eta vs tors. theta energy: -152.708
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: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1699.783730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.783730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.783730 (E_RNA)
where:
Base-Base interactions energy: -1121.151
where: short stacking energy: -504.177
Base-Backbone interact. energy: 1.251
local terms energy: -579.883346
where:
bonds (distance) C4'-P energy: -116.847
bonds (distance) P-C4' energy: -126.787
flat angles C4'-P-C4' energy: -134.430
flat angles P-C4'-P energy: -81.781
tors. eta vs tors. theta energy: -120.039
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: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1474.854235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.854235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.854235 (E_RNA)
where:
Base-Base interactions energy: -945.066
where: short stacking energy: -436.922
Base-Backbone interact. energy: -0.975
local terms energy: -528.812616
where:
bonds (distance) C4'-P energy: -114.501
bonds (distance) P-C4' energy: -134.028
flat angles C4'-P-C4' energy: -111.363
flat angles P-C4'-P energy: -72.748
tors. eta vs tors. theta energy: -96.172
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: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -842.421543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.421543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.421543 (E_RNA)
where:
Base-Base interactions energy: -405.219
where: short stacking energy: -250.651
Base-Backbone interact. energy: 2.483
local terms energy: -439.685390
where:
bonds (distance) C4'-P energy: -107.890
bonds (distance) P-C4' energy: -129.231
flat angles C4'-P-C4' energy: -107.087
flat angles P-C4'-P energy: -61.839
tors. eta vs tors. theta energy: -33.639
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: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -754.346112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.346112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.346112 (E_RNA)
where:
Base-Base interactions energy: -360.176
where: short stacking energy: -200.890
Base-Backbone interact. energy: 1.960
local terms energy: -396.130613
where:
bonds (distance) C4'-P energy: -123.145
bonds (distance) P-C4' energy: -114.711
flat angles C4'-P-C4' energy: -110.706
flat angles P-C4'-P energy: -68.241
tors. eta vs tors. theta energy: 20.673
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: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2643.781051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.781051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.781051 (E_RNA)
where:
Base-Base interactions energy: -1812.149
where: short stacking energy: -773.379
Base-Backbone interact. energy: -3.903
local terms energy: -827.729617
where:
bonds (distance) C4'-P energy: -152.561
bonds (distance) P-C4' energy: -143.568
flat angles C4'-P-C4' energy: -172.695
flat angles P-C4'-P energy: -119.123
tors. eta vs tors. theta energy: -239.782
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: 394
Temperature: 0.950000
Total energy: -2542.884060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.884060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.884060 (E_RNA)
where:
Base-Base interactions energy: -1730.065
where: short stacking energy: -756.195
Base-Backbone interact. energy: -4.357
local terms energy: -808.462137
where:
bonds (distance) C4'-P energy: -145.957
bonds (distance) P-C4' energy: -145.467
flat angles C4'-P-C4' energy: -165.195
flat angles P-C4'-P energy: -120.400
tors. eta vs tors. theta energy: -231.443
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: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2494.863586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.863586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.863586 (E_RNA)
where:
Base-Base interactions energy: -1768.001
where: short stacking energy: -743.575
Base-Backbone interact. energy: 1.175
local terms energy: -728.037528
where:
bonds (distance) C4'-P energy: -114.658
bonds (distance) P-C4' energy: -139.421
flat angles C4'-P-C4' energy: -161.631
flat angles P-C4'-P energy: -103.480
tors. eta vs tors. theta energy: -208.849
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: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2403.118985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.118985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.118985 (E_RNA)
where:
Base-Base interactions energy: -1673.367
where: short stacking energy: -750.653
Base-Backbone interact. energy: -1.934
local terms energy: -727.818545
where:
bonds (distance) C4'-P energy: -119.810
bonds (distance) P-C4' energy: -127.518
flat angles C4'-P-C4' energy: -154.980
flat angles P-C4'-P energy: -102.317
tors. eta vs tors. theta energy: -223.192
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: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2235.510647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.510647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.510647 (E_RNA)
where:
Base-Base interactions energy: -1565.663
where: short stacking energy: -663.683
Base-Backbone interact. energy: -2.000
local terms energy: -667.848028
where:
bonds (distance) C4'-P energy: -112.043
bonds (distance) P-C4' energy: -129.114
flat angles C4'-P-C4' energy: -142.679
flat angles P-C4'-P energy: -101.952
tors. eta vs tors. theta energy: -182.061
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: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1960.802808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.802808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.802808 (E_RNA)
where:
Base-Base interactions energy: -1319.103
where: short stacking energy: -598.814
Base-Backbone interact. energy: 0.730
local terms energy: -642.429346
where:
bonds (distance) C4'-P energy: -129.692
bonds (distance) P-C4' energy: -134.883
flat angles C4'-P-C4' energy: -135.607
flat angles P-C4'-P energy: -87.487
tors. eta vs tors. theta energy: -154.760
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: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1766.130677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.130677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.130677 (E_RNA)
where:
Base-Base interactions energy: -1131.292
where: short stacking energy: -519.576
Base-Backbone interact. energy: -6.331
local terms energy: -628.507894
where:
bonds (distance) C4'-P energy: -113.153
bonds (distance) P-C4' energy: -136.181
flat angles C4'-P-C4' energy: -152.492
flat angles P-C4'-P energy: -85.129
tors. eta vs tors. theta energy: -141.554
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: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1459.220832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.220832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.220832 (E_RNA)
where:
Base-Base interactions energy: -916.527
where: short stacking energy: -406.691
Base-Backbone interact. energy: 1.559
local terms energy: -544.252852
where:
bonds (distance) C4'-P energy: -124.305
bonds (distance) P-C4' energy: -134.606
flat angles C4'-P-C4' energy: -137.258
flat angles P-C4'-P energy: -67.580
tors. eta vs tors. theta energy: -80.504
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: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -853.046662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.046662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.046662 (E_RNA)
where:
Base-Base interactions energy: -461.858
where: short stacking energy: -230.425
Base-Backbone interact. energy: 4.362
local terms energy: -395.551117
where:
bonds (distance) C4'-P energy: -139.431
bonds (distance) P-C4' energy: -116.503
flat angles C4'-P-C4' energy: -90.637
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -11.043
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: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -770.875189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.875189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.875189 (E_RNA)
where:
Base-Base interactions energy: -373.991
where: short stacking energy: -209.322
Base-Backbone interact. energy: -1.764
local terms energy: -395.120673
where:
bonds (distance) C4'-P energy: -100.194
bonds (distance) P-C4' energy: -120.483
flat angles C4'-P-C4' energy: -86.040
flat angles P-C4'-P energy: -85.827
tors. eta vs tors. theta energy: -2.577
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: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2645.691025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.691025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.691025 (E_RNA)
where:
Base-Base interactions energy: -1799.685
where: short stacking energy: -797.536
Base-Backbone interact. energy: -3.060
local terms energy: -842.946473
where:
bonds (distance) C4'-P energy: -154.292
bonds (distance) P-C4' energy: -154.718
flat angles C4'-P-C4' energy: -174.249
flat angles P-C4'-P energy: -122.673
tors. eta vs tors. theta energy: -237.014
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: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2525.392713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.392713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.392713 (E_RNA)
where:
Base-Base interactions energy: -1726.965
where: short stacking energy: -757.324
Base-Backbone interact. energy: -2.609
local terms energy: -795.818804
where:
bonds (distance) C4'-P energy: -127.299
bonds (distance) P-C4' energy: -149.073
flat angles C4'-P-C4' energy: -173.842
flat angles P-C4'-P energy: -112.791
tors. eta vs tors. theta energy: -232.814
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: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2482.185108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.185108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.185108 (E_RNA)
where:
Base-Base interactions energy: -1727.231
where: short stacking energy: -725.147
Base-Backbone interact. energy: -2.795
local terms energy: -752.159448
where:
bonds (distance) C4'-P energy: -138.409
bonds (distance) P-C4' energy: -145.640
flat angles C4'-P-C4' energy: -156.157
flat angles P-C4'-P energy: -105.683
tors. eta vs tors. theta energy: -206.271
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: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2413.905116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.905116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.905116 (E_RNA)
where:
Base-Base interactions energy: -1690.870
where: short stacking energy: -736.639
Base-Backbone interact. energy: -2.171
local terms energy: -720.864591
where:
bonds (distance) C4'-P energy: -112.314
bonds (distance) P-C4' energy: -140.908
flat angles C4'-P-C4' energy: -159.014
flat angles P-C4'-P energy: -94.822
tors. eta vs tors. theta energy: -213.806
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: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2133.596241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.596241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.596241 (E_RNA)
where:
Base-Base interactions energy: -1460.744
where: short stacking energy: -639.485
Base-Backbone interact. energy: 0.948
local terms energy: -673.799843
where:
bonds (distance) C4'-P energy: -134.500
bonds (distance) P-C4' energy: -131.125
flat angles C4'-P-C4' energy: -136.946
flat angles P-C4'-P energy: -90.265
tors. eta vs tors. theta energy: -180.963
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: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1988.221027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.221027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.221027 (E_RNA)
where:
Base-Base interactions energy: -1325.163
where: short stacking energy: -575.517
Base-Backbone interact. energy: -3.313
local terms energy: -659.745342
where:
bonds (distance) C4'-P energy: -123.300
bonds (distance) P-C4' energy: -144.148
flat angles C4'-P-C4' energy: -145.842
flat angles P-C4'-P energy: -100.244
tors. eta vs tors. theta energy: -146.210
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: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1860.486767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.486767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.486767 (E_RNA)
where:
Base-Base interactions energy: -1231.142
where: short stacking energy: -542.758
Base-Backbone interact. energy: -2.212
local terms energy: -627.132364
where:
bonds (distance) C4'-P energy: -134.585
bonds (distance) P-C4' energy: -115.550
flat angles C4'-P-C4' energy: -146.910
flat angles P-C4'-P energy: -72.451
tors. eta vs tors. theta energy: -157.636
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: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1454.539055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.539055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.539055 (E_RNA)
where:
Base-Base interactions energy: -929.925
where: short stacking energy: -419.484
Base-Backbone interact. energy: -2.800
local terms energy: -521.814152
where:
bonds (distance) C4'-P energy: -123.762
bonds (distance) P-C4' energy: -112.674
flat angles C4'-P-C4' energy: -113.443
flat angles P-C4'-P energy: -80.185
tors. eta vs tors. theta energy: -91.750
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: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -835.906286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.906286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.906286 (E_RNA)
where:
Base-Base interactions energy: -443.509
where: short stacking energy: -224.342
Base-Backbone interact. energy: -2.056
local terms energy: -390.341776
where:
bonds (distance) C4'-P energy: -129.701
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -107.985
flat angles P-C4'-P energy: -53.135
tors. eta vs tors. theta energy: -2.337
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: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -743.366457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.366457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.366457 (E_RNA)
where:
Base-Base interactions energy: -377.663
where: short stacking energy: -220.513
Base-Backbone interact. energy: -2.707
local terms energy: -362.997273
where:
bonds (distance) C4'-P energy: -96.309
bonds (distance) P-C4' energy: -123.070
flat angles C4'-P-C4' energy: -84.574
flat angles P-C4'-P energy: -65.740
tors. eta vs tors. theta energy: 6.696
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: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2569.619996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.619996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.619996 (E_RNA)
where:
Base-Base interactions energy: -1751.905
where: short stacking energy: -779.129
Base-Backbone interact. energy: -4.006
local terms energy: -813.708682
where:
bonds (distance) C4'-P energy: -139.656
bonds (distance) P-C4' energy: -148.437
flat angles C4'-P-C4' energy: -164.319
flat angles P-C4'-P energy: -122.857
tors. eta vs tors. theta energy: -238.440
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: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2578.260910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.260910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.260910 (E_RNA)
where:
Base-Base interactions energy: -1792.674
where: short stacking energy: -782.886
Base-Backbone interact. energy: 0.406
local terms energy: -785.993226
where:
bonds (distance) C4'-P energy: -135.624
bonds (distance) P-C4' energy: -137.742
flat angles C4'-P-C4' energy: -163.734
flat angles P-C4'-P energy: -112.027
tors. eta vs tors. theta energy: -236.867
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: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2486.928717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.928717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.928717 (E_RNA)
where:
Base-Base interactions energy: -1718.209
where: short stacking energy: -741.293
Base-Backbone interact. energy: -3.034
local terms energy: -765.685374
where:
bonds (distance) C4'-P energy: -134.611
bonds (distance) P-C4' energy: -147.347
flat angles C4'-P-C4' energy: -159.979
flat angles P-C4'-P energy: -104.705
tors. eta vs tors. theta energy: -219.044
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: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2443.110538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.110538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.110538 (E_RNA)
where:
Base-Base interactions energy: -1686.840
where: short stacking energy: -701.750
Base-Backbone interact. energy: -4.770
local terms energy: -751.500451
where:
bonds (distance) C4'-P energy: -135.266
bonds (distance) P-C4' energy: -128.960
flat angles C4'-P-C4' energy: -171.327
flat angles P-C4'-P energy: -101.992
tors. eta vs tors. theta energy: -213.955
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: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2134.025009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.025009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.025009 (E_RNA)
where:
Base-Base interactions energy: -1424.743
where: short stacking energy: -614.818
Base-Backbone interact. energy: -3.264
local terms energy: -706.018036
where:
bonds (distance) C4'-P energy: -140.991
bonds (distance) P-C4' energy: -119.141
flat angles C4'-P-C4' energy: -145.728
flat angles P-C4'-P energy: -108.221
tors. eta vs tors. theta energy: -191.936
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: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1980.063170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.063170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.063170 (E_RNA)
where:
Base-Base interactions energy: -1360.779
where: short stacking energy: -611.461
Base-Backbone interact. energy: -0.676
local terms energy: -618.608759
where:
bonds (distance) C4'-P energy: -124.800
bonds (distance) P-C4' energy: -109.636
flat angles C4'-P-C4' energy: -144.144
flat angles P-C4'-P energy: -87.151
tors. eta vs tors. theta energy: -152.877
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: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1834.433768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.433768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.433768 (E_RNA)
where:
Base-Base interactions energy: -1230.487
where: short stacking energy: -542.473
Base-Backbone interact. energy: -2.891
local terms energy: -601.055096
where:
bonds (distance) C4'-P energy: -129.233
bonds (distance) P-C4' energy: -109.173
flat angles C4'-P-C4' energy: -142.225
flat angles P-C4'-P energy: -86.767
tors. eta vs tors. theta energy: -133.658
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: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1501.561786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.561786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.561786 (E_RNA)
where:
Base-Base interactions energy: -978.843
where: short stacking energy: -410.935
Base-Backbone interact. energy: 0.128
local terms energy: -522.846358
where:
bonds (distance) C4'-P energy: -105.867
bonds (distance) P-C4' energy: -123.056
flat angles C4'-P-C4' energy: -120.724
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: -92.655
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: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -845.454204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.454204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.454204 (E_RNA)
where:
Base-Base interactions energy: -447.955
where: short stacking energy: -247.829
Base-Backbone interact. energy: 0.653
local terms energy: -398.151906
where:
bonds (distance) C4'-P energy: -95.143
bonds (distance) P-C4' energy: -143.778
flat angles C4'-P-C4' energy: -104.232
flat angles P-C4'-P energy: -62.648
tors. eta vs tors. theta energy: 7.649
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: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -807.896590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.896590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.896590 (E_RNA)
where:
Base-Base interactions energy: -432.419
where: short stacking energy: -231.042
Base-Backbone interact. energy: 0.331
local terms energy: -375.808094
where:
bonds (distance) C4'-P energy: -95.323
bonds (distance) P-C4' energy: -129.598
flat angles C4'-P-C4' energy: -94.988
flat angles P-C4'-P energy: -60.343
tors. eta vs tors. theta energy: 4.444
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: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2627.299724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.299724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.299724 (E_RNA)
where:
Base-Base interactions energy: -1797.139
where: short stacking energy: -796.065
Base-Backbone interact. energy: -2.922
local terms energy: -827.238237
where:
bonds (distance) C4'-P energy: -135.137
bonds (distance) P-C4' energy: -146.370
flat angles C4'-P-C4' energy: -180.062
flat angles P-C4'-P energy: -118.154
tors. eta vs tors. theta energy: -247.516
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: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2607.729662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.729662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.729662 (E_RNA)
where:
Base-Base interactions energy: -1806.090
where: short stacking energy: -783.066
Base-Backbone interact. energy: -2.396
local terms energy: -799.243615
where:
bonds (distance) C4'-P energy: -154.347
bonds (distance) P-C4' energy: -141.645
flat angles C4'-P-C4' energy: -163.169
flat angles P-C4'-P energy: -103.640
tors. eta vs tors. theta energy: -236.443
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: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2462.637701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.637701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.637701 (E_RNA)
where:
Base-Base interactions energy: -1723.898
where: short stacking energy: -736.006
Base-Backbone interact. energy: -4.830
local terms energy: -733.909129
where:
bonds (distance) C4'-P energy: -135.624
bonds (distance) P-C4' energy: -143.606
flat angles C4'-P-C4' energy: -155.563
flat angles P-C4'-P energy: -88.228
tors. eta vs tors. theta energy: -210.888
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2394.934930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.934930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.934930 (E_RNA)
where:
Base-Base interactions energy: -1672.267
where: short stacking energy: -671.744
Base-Backbone interact. energy: 0.426
local terms energy: -723.093377
where:
bonds (distance) C4'-P energy: -124.655
bonds (distance) P-C4' energy: -127.435
flat angles C4'-P-C4' energy: -160.805
flat angles P-C4'-P energy: -103.963
tors. eta vs tors. theta energy: -206.236
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: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2165.169611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.169611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.169611 (E_RNA)
where:
Base-Base interactions energy: -1491.114
where: short stacking energy: -640.095
Base-Backbone interact. energy: 0.266
local terms energy: -674.321610
where:
bonds (distance) C4'-P energy: -134.752
bonds (distance) P-C4' energy: -115.146
flat angles C4'-P-C4' energy: -151.213
flat angles P-C4'-P energy: -90.008
tors. eta vs tors. theta energy: -183.203
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: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2060.463259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.463259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.463259 (E_RNA)
where:
Base-Base interactions energy: -1399.667
where: short stacking energy: -598.382
Base-Backbone interact. energy: -1.544
local terms energy: -659.252124
where:
bonds (distance) C4'-P energy: -120.343
bonds (distance) P-C4' energy: -148.332
flat angles C4'-P-C4' energy: -148.662
flat angles P-C4'-P energy: -81.704
tors. eta vs tors. theta energy: -160.211
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: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1830.036663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.036663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.036663 (E_RNA)
where:
Base-Base interactions energy: -1200.391
where: short stacking energy: -525.181
Base-Backbone interact. energy: -1.037
local terms energy: -628.608233
where:
bonds (distance) C4'-P energy: -121.293
bonds (distance) P-C4' energy: -121.626
flat angles C4'-P-C4' energy: -161.153
flat angles P-C4'-P energy: -91.692
tors. eta vs tors. theta energy: -132.845
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: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1500.219452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.219452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.219452 (E_RNA)
where:
Base-Base interactions energy: -960.504
where: short stacking energy: -437.017
Base-Backbone interact. energy: -3.618
local terms energy: -536.097070
where:
bonds (distance) C4'-P energy: -116.105
bonds (distance) P-C4' energy: -136.550
flat angles C4'-P-C4' energy: -118.535
flat angles P-C4'-P energy: -63.556
tors. eta vs tors. theta energy: -101.351
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: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -863.049181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.049181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.049181 (E_RNA)
where:
Base-Base interactions energy: -434.335
where: short stacking energy: -259.248
Base-Backbone interact. energy: 2.835
local terms energy: -431.549321
where:
bonds (distance) C4'-P energy: -106.957
bonds (distance) P-C4' energy: -142.662
flat angles C4'-P-C4' energy: -113.968
flat angles P-C4'-P energy: -52.821
tors. eta vs tors. theta energy: -15.141
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: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -790.748244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.748244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.748244 (E_RNA)
where:
Base-Base interactions energy: -411.347
where: short stacking energy: -251.936
Base-Backbone interact. energy: -3.580
local terms energy: -375.821310
where:
bonds (distance) C4'-P energy: -105.584
bonds (distance) P-C4' energy: -119.207
flat angles C4'-P-C4' energy: -93.551
flat angles P-C4'-P energy: -55.778
tors. eta vs tors. theta energy: -1.701
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: 1, replica: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2623.341980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.341980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.341980 (E_RNA)
where:
Base-Base interactions energy: -1798.438
where: short stacking energy: -780.263
Base-Backbone interact. energy: -0.704
local terms energy: -824.200513
where:
bonds (distance) C4'-P energy: -144.059
bonds (distance) P-C4' energy: -156.595
flat angles C4'-P-C4' energy: -156.467
flat angles P-C4'-P energy: -129.504
tors. eta vs tors. theta energy: -237.576
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: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2585.340490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.340490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.340490 (E_RNA)
where:
Base-Base interactions energy: -1803.078
where: short stacking energy: -796.189
Base-Backbone interact. energy: -0.974
local terms energy: -781.289320
where:
bonds (distance) C4'-P energy: -133.798
bonds (distance) P-C4' energy: -136.333
flat angles C4'-P-C4' energy: -171.922
flat angles P-C4'-P energy: -105.453
tors. eta vs tors. theta energy: -233.784
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: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2482.467388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.467388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.467388 (E_RNA)
where:
Base-Base interactions energy: -1719.959
where: short stacking energy: -751.593
Base-Backbone interact. energy: -1.555
local terms energy: -760.952828
where:
bonds (distance) C4'-P energy: -121.700
bonds (distance) P-C4' energy: -141.334
flat angles C4'-P-C4' energy: -161.615
flat angles P-C4'-P energy: -112.805
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: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2475.679197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.679197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.679197 (E_RNA)
where:
Base-Base interactions energy: -1724.173
where: short stacking energy: -705.375
Base-Backbone interact. energy: -0.674
local terms energy: -750.832576
where:
bonds (distance) C4'-P energy: -119.088
bonds (distance) P-C4' energy: -148.224
flat angles C4'-P-C4' energy: -159.010
flat angles P-C4'-P energy: -108.286
tors. eta vs tors. theta energy: -216.224
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: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2177.229032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.229032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.229032 (E_RNA)
where:
Base-Base interactions energy: -1478.741
where: short stacking energy: -639.289
Base-Backbone interact. energy: 4.076
local terms energy: -702.564037
where:
bonds (distance) C4'-P energy: -122.590
bonds (distance) P-C4' energy: -136.090
flat angles C4'-P-C4' energy: -154.912
flat angles P-C4'-P energy: -96.101
tors. eta vs tors. theta energy: -192.871
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: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1996.731783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.731783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.731783 (E_RNA)
where:
Base-Base interactions energy: -1355.209
where: short stacking energy: -595.839
Base-Backbone interact. energy: 1.966
local terms energy: -643.488792
where:
bonds (distance) C4'-P energy: -123.276
bonds (distance) P-C4' energy: -118.699
flat angles C4'-P-C4' energy: -146.372
flat angles P-C4'-P energy: -88.259
tors. eta vs tors. theta energy: -166.882
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: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1841.964407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.964407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.964407 (E_RNA)
where:
Base-Base interactions energy: -1250.850
where: short stacking energy: -539.873
Base-Backbone interact. energy: -4.774
local terms energy: -586.340486
where:
bonds (distance) C4'-P energy: -107.734
bonds (distance) P-C4' energy: -113.070
flat angles C4'-P-C4' energy: -131.859
flat angles P-C4'-P energy: -93.641
tors. eta vs tors. theta energy: -140.035
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: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1447.576672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.576672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.576672 (E_RNA)
where:
Base-Base interactions energy: -905.008
where: short stacking energy: -390.952
Base-Backbone interact. energy: -2.951
local terms energy: -539.617940
where:
bonds (distance) C4'-P energy: -111.325
bonds (distance) P-C4' energy: -123.227
flat angles C4'-P-C4' energy: -133.285
flat angles P-C4'-P energy: -82.655
tors. eta vs tors. theta energy: -89.125
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: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -920.282713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.282713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.282713 (E_RNA)
where:
Base-Base interactions energy: -462.854
where: short stacking energy: -245.534
Base-Backbone interact. energy: -2.377
local terms energy: -455.051470
where:
bonds (distance) C4'-P energy: -124.549
bonds (distance) P-C4' energy: -125.452
flat angles C4'-P-C4' energy: -115.132
flat angles P-C4'-P energy: -68.995
tors. eta vs tors. theta energy: -20.924
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: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -730.389808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.389808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.389808 (E_RNA)
where:
Base-Base interactions energy: -356.715
where: short stacking energy: -226.358
Base-Backbone interact. energy: 1.794
local terms energy: -375.469210
where:
bonds (distance) C4'-P energy: -127.115
bonds (distance) P-C4' energy: -119.427
flat angles C4'-P-C4' energy: -89.019
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -5.237
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: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2579.422193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.422193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.422193 (E_RNA)
where:
Base-Base interactions energy: -1782.097
where: short stacking energy: -771.855
Base-Backbone interact. energy: -3.444
local terms energy: -793.882071
where:
bonds (distance) C4'-P energy: -133.417
bonds (distance) P-C4' energy: -142.376
flat angles C4'-P-C4' energy: -173.114
flat angles P-C4'-P energy: -109.325
tors. eta vs tors. theta energy: -235.651
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: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2588.674658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.674658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.674658 (E_RNA)
where:
Base-Base interactions energy: -1767.045
where: short stacking energy: -752.104
Base-Backbone interact. energy: -0.841
local terms energy: -820.789028
where:
bonds (distance) C4'-P energy: -153.764
bonds (distance) P-C4' energy: -142.860
flat angles C4'-P-C4' energy: -167.473
flat angles P-C4'-P energy: -119.744
tors. eta vs tors. theta energy: -236.950
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: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2478.322792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.322792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.322792 (E_RNA)
where:
Base-Base interactions energy: -1723.588
where: short stacking energy: -759.700
Base-Backbone interact. energy: 1.608
local terms energy: -756.341991
where:
bonds (distance) C4'-P energy: -118.906
bonds (distance) P-C4' energy: -140.005
flat angles C4'-P-C4' energy: -159.637
flat angles P-C4'-P energy: -112.704
tors. eta vs tors. theta energy: -225.090
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: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2405.857944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.857944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.857944 (E_RNA)
where:
Base-Base interactions energy: -1689.018
where: short stacking energy: -704.506
Base-Backbone interact. energy: -3.113
local terms energy: -713.726645
where:
bonds (distance) C4'-P energy: -127.112
bonds (distance) P-C4' energy: -127.223
flat angles C4'-P-C4' energy: -152.197
flat angles P-C4'-P energy: -95.317
tors. eta vs tors. theta energy: -211.878
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: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2192.804826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.804826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.804826 (E_RNA)
where:
Base-Base interactions energy: -1534.643
where: short stacking energy: -655.235
Base-Backbone interact. energy: -0.987
local terms energy: -657.174538
where:
bonds (distance) C4'-P energy: -119.117
bonds (distance) P-C4' energy: -130.295
flat angles C4'-P-C4' energy: -130.270
flat angles P-C4'-P energy: -101.836
tors. eta vs tors. theta energy: -175.657
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: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1991.478791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.478791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.478791 (E_RNA)
where:
Base-Base interactions energy: -1334.703
where: short stacking energy: -576.074
Base-Backbone interact. energy: 0.062
local terms energy: -656.837941
where:
bonds (distance) C4'-P energy: -120.102
bonds (distance) P-C4' energy: -116.226
flat angles C4'-P-C4' energy: -156.394
flat angles P-C4'-P energy: -95.284
tors. eta vs tors. theta energy: -168.832
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: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1777.634621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.634621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.634621 (E_RNA)
where:
Base-Base interactions energy: -1172.480
where: short stacking energy: -502.570
Base-Backbone interact. energy: -4.516
local terms energy: -600.638273
where:
bonds (distance) C4'-P energy: -127.630
bonds (distance) P-C4' energy: -122.247
flat angles C4'-P-C4' energy: -130.385
flat angles P-C4'-P energy: -87.531
tors. eta vs tors. theta energy: -132.844
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: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1479.399764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.399764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.399764 (E_RNA)
where:
Base-Base interactions energy: -942.430
where: short stacking energy: -400.331
Base-Backbone interact. energy: 5.862
local terms energy: -542.831890
where:
bonds (distance) C4'-P energy: -130.085
bonds (distance) P-C4' energy: -118.740
flat angles C4'-P-C4' energy: -119.127
flat angles P-C4'-P energy: -93.289
tors. eta vs tors. theta energy: -81.590
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: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -900.948638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.948638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.948638 (E_RNA)
where:
Base-Base interactions energy: -461.241
where: short stacking energy: -253.130
Base-Backbone interact. energy: -1.120
local terms energy: -438.587597
where:
bonds (distance) C4'-P energy: -104.269
bonds (distance) P-C4' energy: -132.698
flat angles C4'-P-C4' energy: -118.387
flat angles P-C4'-P energy: -67.844
tors. eta vs tors. theta energy: -15.390
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: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -684.834391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.834391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.834391 (E_RNA)
where:
Base-Base interactions energy: -305.628
where: short stacking energy: -175.861
Base-Backbone interact. energy: 2.836
local terms energy: -382.042066
where:
bonds (distance) C4'-P energy: -119.341
bonds (distance) P-C4' energy: -123.277
flat angles C4'-P-C4' energy: -101.329
flat angles P-C4'-P energy: -47.086
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: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2605.623940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.623940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.623940 (E_RNA)
where:
Base-Base interactions energy: -1792.776
where: short stacking energy: -783.952
Base-Backbone interact. energy: -2.247
local terms energy: -810.600434
where:
bonds (distance) C4'-P energy: -137.490
bonds (distance) P-C4' energy: -155.348
flat angles C4'-P-C4' energy: -163.240
flat angles P-C4'-P energy: -117.859
tors. eta vs tors. theta energy: -236.665
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: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2558.391586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.391586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.391586 (E_RNA)
where:
Base-Base interactions energy: -1770.696
where: short stacking energy: -777.400
Base-Backbone interact. energy: -1.785
local terms energy: -785.910973
where:
bonds (distance) C4'-P energy: -132.462
bonds (distance) P-C4' energy: -144.797
flat angles C4'-P-C4' energy: -161.919
flat angles P-C4'-P energy: -104.655
tors. eta vs tors. theta energy: -242.078
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: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2459.930012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.930012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.930012 (E_RNA)
where:
Base-Base interactions energy: -1701.951
where: short stacking energy: -733.327
Base-Backbone interact. energy: -3.035
local terms energy: -754.943751
where:
bonds (distance) C4'-P energy: -142.079
bonds (distance) P-C4' energy: -126.789
flat angles C4'-P-C4' energy: -170.810
flat angles P-C4'-P energy: -100.637
tors. eta vs tors. theta energy: -214.629
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: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2407.867825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.867825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.867825 (E_RNA)
where:
Base-Base interactions energy: -1661.646
where: short stacking energy: -716.089
Base-Backbone interact. energy: 0.187
local terms energy: -746.409184
where:
bonds (distance) C4'-P energy: -131.653
bonds (distance) P-C4' energy: -125.634
flat angles C4'-P-C4' energy: -160.153
flat angles P-C4'-P energy: -116.808
tors. eta vs tors. theta energy: -212.160
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: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2286.223024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.223024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.223024 (E_RNA)
where:
Base-Base interactions energy: -1567.341
where: short stacking energy: -639.686
Base-Backbone interact. energy: -1.871
local terms energy: -717.011035
where:
bonds (distance) C4'-P energy: -141.214
bonds (distance) P-C4' energy: -129.644
flat angles C4'-P-C4' energy: -156.111
flat angles P-C4'-P energy: -105.637
tors. eta vs tors. theta energy: -184.405
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: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2055.719216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.719216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.719216 (E_RNA)
where:
Base-Base interactions energy: -1413.004
where: short stacking energy: -624.295
Base-Backbone interact. energy: -0.239
local terms energy: -642.475277
where:
bonds (distance) C4'-P energy: -132.977
bonds (distance) P-C4' energy: -135.275
flat angles C4'-P-C4' energy: -114.014
flat angles P-C4'-P energy: -92.986
tors. eta vs tors. theta energy: -167.223
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: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1806.033404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.033404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.033404 (E_RNA)
where:
Base-Base interactions energy: -1200.835
where: short stacking energy: -539.762
Base-Backbone interact. energy: -0.295
local terms energy: -604.902848
where:
bonds (distance) C4'-P energy: -130.041
bonds (distance) P-C4' energy: -134.189
flat angles C4'-P-C4' energy: -130.624
flat angles P-C4'-P energy: -78.917
tors. eta vs tors. theta energy: -131.132
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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1432.060712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.060712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.060712 (E_RNA)
where:
Base-Base interactions energy: -885.450
where: short stacking energy: -408.346
Base-Backbone interact. energy: -3.962
local terms energy: -542.649135
where:
bonds (distance) C4'-P energy: -117.683
bonds (distance) P-C4' energy: -127.224
flat angles C4'-P-C4' energy: -129.966
flat angles P-C4'-P energy: -82.102
tors. eta vs tors. theta energy: -85.675
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: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -864.836375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.836375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.836375 (E_RNA)
where:
Base-Base interactions energy: -479.276
where: short stacking energy: -231.000
Base-Backbone interact. energy: -1.014
local terms energy: -384.545822
where:
bonds (distance) C4'-P energy: -104.369
bonds (distance) P-C4' energy: -110.048
flat angles C4'-P-C4' energy: -104.981
flat angles P-C4'-P energy: -59.702
tors. eta vs tors. theta energy: -5.446
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: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -699.178788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.178788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.178788 (E_RNA)
where:
Base-Base interactions energy: -357.897
where: short stacking energy: -221.329
Base-Backbone interact. energy: -0.951
local terms energy: -340.330828
where:
bonds (distance) C4'-P energy: -90.184
bonds (distance) P-C4' energy: -116.231
flat angles C4'-P-C4' energy: -91.498
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: 11.056
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: 1, replica: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2614.430732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.430732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.430732 (E_RNA)
where:
Base-Base interactions energy: -1813.671
where: short stacking energy: -807.787
Base-Backbone interact. energy: -3.020
local terms energy: -797.739018
where:
bonds (distance) C4'-P energy: -128.731
bonds (distance) P-C4' energy: -141.602
flat angles C4'-P-C4' energy: -166.281
flat angles P-C4'-P energy: -118.552
tors. eta vs tors. theta energy: -242.572
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: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2581.813410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.813410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.813410 (E_RNA)
where:
Base-Base interactions energy: -1787.121
where: short stacking energy: -758.149
Base-Backbone interact. energy: -1.444
local terms energy: -793.248408
where:
bonds (distance) C4'-P energy: -148.540
bonds (distance) P-C4' energy: -130.671
flat angles C4'-P-C4' energy: -175.108
flat angles P-C4'-P energy: -111.225
tors. eta vs tors. theta energy: -227.704
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: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2459.688912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.688912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.688912 (E_RNA)
where:
Base-Base interactions energy: -1702.153
where: short stacking energy: -729.949
Base-Backbone interact. energy: -4.538
local terms energy: -752.998358
where:
bonds (distance) C4'-P energy: -137.098
bonds (distance) P-C4' energy: -129.720
flat angles C4'-P-C4' energy: -158.612
flat angles P-C4'-P energy: -111.588
tors. eta vs tors. theta energy: -215.980
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: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2402.494189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.494189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.494189 (E_RNA)
where:
Base-Base interactions energy: -1669.505
where: short stacking energy: -709.196
Base-Backbone interact. energy: 0.821
local terms energy: -733.810867
where:
bonds (distance) C4'-P energy: -128.820
bonds (distance) P-C4' energy: -133.341
flat angles C4'-P-C4' energy: -150.922
flat angles P-C4'-P energy: -111.302
tors. eta vs tors. theta energy: -209.426
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: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2282.970976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.970976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.970976 (E_RNA)
where:
Base-Base interactions energy: -1568.326
where: short stacking energy: -642.371
Base-Backbone interact. energy: 2.899
local terms energy: -717.543899
where:
bonds (distance) C4'-P energy: -132.957
bonds (distance) P-C4' energy: -144.461
flat angles C4'-P-C4' energy: -147.504
flat angles P-C4'-P energy: -96.773
tors. eta vs tors. theta energy: -195.850
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: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1989.957850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.957850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.957850 (E_RNA)
where:
Base-Base interactions energy: -1335.469
where: short stacking energy: -572.620
Base-Backbone interact. energy: -1.718
local terms energy: -652.771503
where:
bonds (distance) C4'-P energy: -128.348
bonds (distance) P-C4' energy: -137.818
flat angles C4'-P-C4' energy: -145.200
flat angles P-C4'-P energy: -83.529
tors. eta vs tors. theta energy: -157.877
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: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1743.470933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.470933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.470933 (E_RNA)
where:
Base-Base interactions energy: -1149.687
where: short stacking energy: -509.485
Base-Backbone interact. energy: 0.975
local terms energy: -594.758883
where:
bonds (distance) C4'-P energy: -122.104
bonds (distance) P-C4' energy: -128.556
flat angles C4'-P-C4' energy: -138.812
flat angles P-C4'-P energy: -79.282
tors. eta vs tors. theta energy: -126.005
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: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1429.335705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.335705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.335705 (E_RNA)
where:
Base-Base interactions energy: -915.596
where: short stacking energy: -387.690
Base-Backbone interact. energy: -2.591
local terms energy: -511.148002
where:
bonds (distance) C4'-P energy: -108.556
bonds (distance) P-C4' energy: -121.409
flat angles C4'-P-C4' energy: -120.477
flat angles P-C4'-P energy: -84.183
tors. eta vs tors. theta energy: -76.523
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: 401
Temperature: 1.300000
Total energy: -936.474318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.474318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.474318 (E_RNA)
where:
Base-Base interactions energy: -488.159
where: short stacking energy: -279.360
Base-Backbone interact. energy: -0.051
local terms energy: -448.264818
where:
bonds (distance) C4'-P energy: -125.957
bonds (distance) P-C4' energy: -110.947
flat angles C4'-P-C4' energy: -117.976
flat angles P-C4'-P energy: -71.700
tors. eta vs tors. theta energy: -21.685
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: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -734.825446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.825446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.825446 (E_RNA)
where:
Base-Base interactions energy: -370.532
where: short stacking energy: -218.593
Base-Backbone interact. energy: -4.276
local terms energy: -360.018012
where:
bonds (distance) C4'-P energy: -111.227
bonds (distance) P-C4' energy: -105.593
flat angles C4'-P-C4' energy: -92.592
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -10.582
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: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2598.141974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.141974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.141974 (E_RNA)
where:
Base-Base interactions energy: -1778.324
where: short stacking energy: -790.056
Base-Backbone interact. energy: -1.749
local terms energy: -818.068052
where:
bonds (distance) C4'-P energy: -148.145
bonds (distance) P-C4' energy: -148.371
flat angles C4'-P-C4' energy: -166.971
flat angles P-C4'-P energy: -118.317
tors. eta vs tors. theta energy: -236.264
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: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2583.457786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.457786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.457786 (E_RNA)
where:
Base-Base interactions energy: -1797.996
where: short stacking energy: -780.282
Base-Backbone interact. energy: -0.649
local terms energy: -784.812717
where:
bonds (distance) C4'-P energy: -150.722
bonds (distance) P-C4' energy: -135.991
flat angles C4'-P-C4' energy: -164.820
flat angles P-C4'-P energy: -107.135
tors. eta vs tors. theta energy: -226.144
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: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2447.964493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.964493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.964493 (E_RNA)
where:
Base-Base interactions energy: -1706.761
where: short stacking energy: -711.373
Base-Backbone interact. energy: -4.047
local terms energy: -737.156089
where:
bonds (distance) C4'-P energy: -142.429
bonds (distance) P-C4' energy: -121.817
flat angles C4'-P-C4' energy: -160.701
flat angles P-C4'-P energy: -105.353
tors. eta vs tors. theta energy: -206.856
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: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2411.596713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.596713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.596713 (E_RNA)
where:
Base-Base interactions energy: -1678.611
where: short stacking energy: -718.961
Base-Backbone interact. energy: -2.646
local terms energy: -730.339555
where:
bonds (distance) C4'-P energy: -133.287
bonds (distance) P-C4' energy: -125.281
flat angles C4'-P-C4' energy: -149.633
flat angles P-C4'-P energy: -100.306
tors. eta vs tors. theta energy: -221.833
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: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2303.109517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.109517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.109517 (E_RNA)
where:
Base-Base interactions energy: -1597.666
where: short stacking energy: -706.248
Base-Backbone interact. energy: 8.878
local terms energy: -714.321966
where:
bonds (distance) C4'-P energy: -137.801
bonds (distance) P-C4' energy: -125.442
flat angles C4'-P-C4' energy: -143.603
flat angles P-C4'-P energy: -103.749
tors. eta vs tors. theta energy: -203.728
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: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2018.268741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.268741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.268741 (E_RNA)
where:
Base-Base interactions energy: -1357.289
where: short stacking energy: -607.858
Base-Backbone interact. energy: 0.534
local terms energy: -661.514411
where:
bonds (distance) C4'-P energy: -125.595
bonds (distance) P-C4' energy: -123.638
flat angles C4'-P-C4' energy: -143.584
flat angles P-C4'-P energy: -99.684
tors. eta vs tors. theta energy: -169.013
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1745.618633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.618633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.618633 (E_RNA)
where:
Base-Base interactions energy: -1151.708
where: short stacking energy: -504.100
Base-Backbone interact. energy: -0.625
local terms energy: -593.285625
where:
bonds (distance) C4'-P energy: -133.931
bonds (distance) P-C4' energy: -120.771
flat angles C4'-P-C4' energy: -128.123
flat angles P-C4'-P energy: -90.229
tors. eta vs tors. theta energy: -120.232
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: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1439.922681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.922681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.922681 (E_RNA)
where:
Base-Base interactions energy: -916.661
where: short stacking energy: -407.118
Base-Backbone interact. energy: -4.525
local terms energy: -518.737058
where:
bonds (distance) C4'-P energy: -116.802
bonds (distance) P-C4' energy: -132.033
flat angles C4'-P-C4' energy: -104.619
flat angles P-C4'-P energy: -86.239
tors. eta vs tors. theta energy: -79.044
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: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -924.360439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.360439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.360439 (E_RNA)
where:
Base-Base interactions energy: -475.712
where: short stacking energy: -232.156
Base-Backbone interact. energy: 2.053
local terms energy: -450.702084
where:
bonds (distance) C4'-P energy: -105.022
bonds (distance) P-C4' energy: -119.113
flat angles C4'-P-C4' energy: -121.742
flat angles P-C4'-P energy: -70.187
tors. eta vs tors. theta energy: -34.637
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: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -729.625529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.625529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.625529 (E_RNA)
where:
Base-Base interactions energy: -361.105
where: short stacking energy: -214.667
Base-Backbone interact. energy: 2.341
local terms energy: -370.861165
where:
bonds (distance) C4'-P energy: -120.595
bonds (distance) P-C4' energy: -99.813
flat angles C4'-P-C4' energy: -91.973
flat angles P-C4'-P energy: -50.139
tors. eta vs tors. theta energy: -8.342
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: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2613.284901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.284901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.284901 (E_RNA)
where:
Base-Base interactions energy: -1816.698
where: short stacking energy: -782.856
Base-Backbone interact. energy: 0.143
local terms energy: -796.729623
where:
bonds (distance) C4'-P energy: -156.406
bonds (distance) P-C4' energy: -141.268
flat angles C4'-P-C4' energy: -161.905
flat angles P-C4'-P energy: -117.641
tors. eta vs tors. theta energy: -219.510
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: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2577.787557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.787557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.787557 (E_RNA)
where:
Base-Base interactions energy: -1765.681
where: short stacking energy: -762.428
Base-Backbone interact. energy: -1.923
local terms energy: -810.184052
where:
bonds (distance) C4'-P energy: -138.902
bonds (distance) P-C4' energy: -147.553
flat angles C4'-P-C4' energy: -173.019
flat angles P-C4'-P energy: -116.713
tors. eta vs tors. theta energy: -233.998
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: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2452.618208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.618208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.618208 (E_RNA)
where:
Base-Base interactions energy: -1704.662
where: short stacking energy: -701.657
Base-Backbone interact. energy: -2.115
local terms energy: -745.841414
where:
bonds (distance) C4'-P energy: -147.075
bonds (distance) P-C4' energy: -140.532
flat angles C4'-P-C4' energy: -158.984
flat angles P-C4'-P energy: -102.598
tors. eta vs tors. theta energy: -196.652
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: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2397.066928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.066928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.066928 (E_RNA)
where:
Base-Base interactions energy: -1687.857
where: short stacking energy: -728.691
Base-Backbone interact. energy: -6.974
local terms energy: -702.235412
where:
bonds (distance) C4'-P energy: -122.309
bonds (distance) P-C4' energy: -112.151
flat angles C4'-P-C4' energy: -158.172
flat angles P-C4'-P energy: -89.578
tors. eta vs tors. theta energy: -220.026
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: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2236.615627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.615627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.615627 (E_RNA)
where:
Base-Base interactions energy: -1540.537
where: short stacking energy: -631.731
Base-Backbone interact. energy: 5.869
local terms energy: -701.948061
where:
bonds (distance) C4'-P energy: -138.135
bonds (distance) P-C4' energy: -134.851
flat angles C4'-P-C4' energy: -151.828
flat angles P-C4'-P energy: -99.052
tors. eta vs tors. theta energy: -178.082
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: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2076.454994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.454994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.454994 (E_RNA)
where:
Base-Base interactions energy: -1430.097
where: short stacking energy: -598.389
Base-Backbone interact. energy: 2.663
local terms energy: -649.020161
where:
bonds (distance) C4'-P energy: -114.147
bonds (distance) P-C4' energy: -121.501
flat angles C4'-P-C4' energy: -142.231
flat angles P-C4'-P energy: -92.333
tors. eta vs tors. theta energy: -178.808
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: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1804.268948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.268948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.268948 (E_RNA)
where:
Base-Base interactions energy: -1215.291
where: short stacking energy: -542.876
Base-Backbone interact. energy: 1.454
local terms energy: -590.432011
where:
bonds (distance) C4'-P energy: -118.335
bonds (distance) P-C4' energy: -129.778
flat angles C4'-P-C4' energy: -123.545
flat angles P-C4'-P energy: -80.084
tors. eta vs tors. theta energy: -138.690
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: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1437.131517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.131517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.131517 (E_RNA)
where:
Base-Base interactions energy: -937.918
where: short stacking energy: -432.225
Base-Backbone interact. energy: -2.947
local terms energy: -496.266078
where:
bonds (distance) C4'-P energy: -90.316
bonds (distance) P-C4' energy: -125.930
flat angles C4'-P-C4' energy: -127.404
flat angles P-C4'-P energy: -70.713
tors. eta vs tors. theta energy: -81.903
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: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -934.669913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.669913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.669913 (E_RNA)
where:
Base-Base interactions energy: -510.393
where: short stacking energy: -281.991
Base-Backbone interact. energy: -1.247
local terms energy: -423.029200
where:
bonds (distance) C4'-P energy: -100.441
bonds (distance) P-C4' energy: -120.934
flat angles C4'-P-C4' energy: -110.357
flat angles P-C4'-P energy: -64.121
tors. eta vs tors. theta energy: -27.176
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: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -751.902312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.902312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.902312 (E_RNA)
where:
Base-Base interactions energy: -356.352
where: short stacking energy: -206.159
Base-Backbone interact. energy: 2.459
local terms energy: -398.009875
where:
bonds (distance) C4'-P energy: -128.824
bonds (distance) P-C4' energy: -103.278
flat angles C4'-P-C4' energy: -111.289
flat angles P-C4'-P energy: -58.667
tors. eta vs tors. theta energy: 4.048
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: 404
Temperature: 0.900000
Total energy: -2654.654129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.654129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.654129 (E_RNA)
where:
Base-Base interactions energy: -1838.990
where: short stacking energy: -798.244
Base-Backbone interact. energy: -1.530
local terms energy: -814.134446
where:
bonds (distance) C4'-P energy: -139.392
bonds (distance) P-C4' energy: -160.196
flat angles C4'-P-C4' energy: -163.858
flat angles P-C4'-P energy: -116.088
tors. eta vs tors. theta energy: -234.601
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: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2539.463986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.463986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.463986 (E_RNA)
where:
Base-Base interactions energy: -1768.891
where: short stacking energy: -773.641
Base-Backbone interact. energy: -2.812
local terms energy: -767.760850
where:
bonds (distance) C4'-P energy: -125.112
bonds (distance) P-C4' energy: -139.703
flat angles C4'-P-C4' energy: -157.390
flat angles P-C4'-P energy: -107.233
tors. eta vs tors. theta energy: -238.324
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: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2433.586258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.586258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.586258 (E_RNA)
where:
Base-Base interactions energy: -1690.854
where: short stacking energy: -702.851
Base-Backbone interact. energy: -1.163
local terms energy: -741.569787
where:
bonds (distance) C4'-P energy: -139.819
bonds (distance) P-C4' energy: -142.340
flat angles C4'-P-C4' energy: -157.206
flat angles P-C4'-P energy: -96.285
tors. eta vs tors. theta energy: -205.920
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2410.889463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.889463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.889463 (E_RNA)
where:
Base-Base interactions energy: -1683.585
where: short stacking energy: -763.278
Base-Backbone interact. energy: 0.108
local terms energy: -727.412019
where:
bonds (distance) C4'-P energy: -117.464
bonds (distance) P-C4' energy: -129.226
flat angles C4'-P-C4' energy: -164.882
flat angles P-C4'-P energy: -86.187
tors. eta vs tors. theta energy: -229.653
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: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2237.743275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.743275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.743275 (E_RNA)
where:
Base-Base interactions energy: -1562.302
where: short stacking energy: -664.369
Base-Backbone interact. energy: 2.480
local terms energy: -677.921353
where:
bonds (distance) C4'-P energy: -126.616
bonds (distance) P-C4' energy: -113.114
flat angles C4'-P-C4' energy: -161.155
flat angles P-C4'-P energy: -99.760
tors. eta vs tors. theta energy: -177.277
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: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2015.839778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.839778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.839778 (E_RNA)
where:
Base-Base interactions energy: -1356.801
where: short stacking energy: -605.390
Base-Backbone interact. energy: -1.591
local terms energy: -657.447413
where:
bonds (distance) C4'-P energy: -135.471
bonds (distance) P-C4' energy: -128.110
flat angles C4'-P-C4' energy: -138.028
flat angles P-C4'-P energy: -89.237
tors. eta vs tors. theta energy: -166.602
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: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1798.058201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.058201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.058201 (E_RNA)
where:
Base-Base interactions energy: -1184.961
where: short stacking energy: -575.328
Base-Backbone interact. energy: 0.132
local terms energy: -613.228870
where:
bonds (distance) C4'-P energy: -133.306
bonds (distance) P-C4' energy: -113.010
flat angles C4'-P-C4' energy: -133.809
flat angles P-C4'-P energy: -78.819
tors. eta vs tors. theta energy: -154.285
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: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1507.687689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.687689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.687689 (E_RNA)
where:
Base-Base interactions energy: -958.266
where: short stacking energy: -414.476
Base-Backbone interact. energy: 2.196
local terms energy: -551.618569
where:
bonds (distance) C4'-P energy: -136.089
bonds (distance) P-C4' energy: -109.593
flat angles C4'-P-C4' energy: -134.291
flat angles P-C4'-P energy: -67.201
tors. eta vs tors. theta energy: -104.445
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: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -910.382353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.382353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.382353 (E_RNA)
where:
Base-Base interactions energy: -478.788
where: short stacking energy: -263.053
Base-Backbone interact. energy: 7.887
local terms energy: -439.481723
where:
bonds (distance) C4'-P energy: -110.210
bonds (distance) P-C4' energy: -133.247
flat angles C4'-P-C4' energy: -109.003
flat angles P-C4'-P energy: -65.324
tors. eta vs tors. theta energy: -21.698
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: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -726.966009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.966009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.966009 (E_RNA)
where:
Base-Base interactions energy: -399.577
where: short stacking energy: -227.098
Base-Backbone interact. energy: 2.037
local terms energy: -329.425853
where:
bonds (distance) C4'-P energy: -114.457
bonds (distance) P-C4' energy: -98.274
flat angles C4'-P-C4' energy: -89.006
flat angles P-C4'-P energy: -45.170
tors. eta vs tors. theta energy: 17.482
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: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2663.314196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.314196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.314196 (E_RNA)
where:
Base-Base interactions energy: -1846.657
where: short stacking energy: -786.931
Base-Backbone interact. energy: -3.615
local terms energy: -813.041969
where:
bonds (distance) C4'-P energy: -160.526
bonds (distance) P-C4' energy: -137.811
flat angles C4'-P-C4' energy: -170.227
flat angles P-C4'-P energy: -107.823
tors. eta vs tors. theta energy: -236.655
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: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2541.729805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.729805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.729805 (E_RNA)
where:
Base-Base interactions energy: -1734.483
where: short stacking energy: -738.403
Base-Backbone interact. energy: -2.839
local terms energy: -804.407893
where:
bonds (distance) C4'-P energy: -152.894
bonds (distance) P-C4' energy: -137.884
flat angles C4'-P-C4' energy: -166.015
flat angles P-C4'-P energy: -119.010
tors. eta vs tors. theta energy: -228.605
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: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2458.707855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.707855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.707855 (E_RNA)
where:
Base-Base interactions energy: -1687.357
where: short stacking energy: -732.228
Base-Backbone interact. energy: -6.236
local terms energy: -765.114935
where:
bonds (distance) C4'-P energy: -136.654
bonds (distance) P-C4' energy: -150.212
flat angles C4'-P-C4' energy: -167.932
flat angles P-C4'-P energy: -95.537
tors. eta vs tors. theta energy: -214.780
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: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2400.906382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.906382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.906382 (E_RNA)
where:
Base-Base interactions energy: -1665.230
where: short stacking energy: -739.051
Base-Backbone interact. energy: 0.794
local terms energy: -736.470162
where:
bonds (distance) C4'-P energy: -122.620
bonds (distance) P-C4' energy: -150.675
flat angles C4'-P-C4' energy: -151.790
flat angles P-C4'-P energy: -97.690
tors. eta vs tors. theta energy: -213.696
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: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2247.540799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.540799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.540799 (E_RNA)
where:
Base-Base interactions energy: -1546.831
where: short stacking energy: -660.687
Base-Backbone interact. energy: -2.262
local terms energy: -698.448176
where:
bonds (distance) C4'-P energy: -137.812
bonds (distance) P-C4' energy: -137.613
flat angles C4'-P-C4' energy: -153.352
flat angles P-C4'-P energy: -100.405
tors. eta vs tors. theta energy: -169.267
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: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2055.405699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.405699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.405699 (E_RNA)
where:
Base-Base interactions energy: -1433.518
where: short stacking energy: -588.601
Base-Backbone interact. energy: -2.361
local terms energy: -619.526527
where:
bonds (distance) C4'-P energy: -118.638
bonds (distance) P-C4' energy: -115.064
flat angles C4'-P-C4' energy: -130.691
flat angles P-C4'-P energy: -87.234
tors. eta vs tors. theta energy: -167.900
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: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1796.537607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.537607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.537607 (E_RNA)
where:
Base-Base interactions energy: -1146.847
where: short stacking energy: -515.248
Base-Backbone interact. energy: -3.104
local terms energy: -646.587384
where:
bonds (distance) C4'-P energy: -117.789
bonds (distance) P-C4' energy: -119.473
flat angles C4'-P-C4' energy: -154.330
flat angles P-C4'-P energy: -103.646
tors. eta vs tors. theta energy: -151.349
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: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1530.198468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.198468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.198468 (E_RNA)
where:
Base-Base interactions energy: -1006.177
where: short stacking energy: -458.088
Base-Backbone interact. energy: -1.845
local terms energy: -522.176318
where:
bonds (distance) C4'-P energy: -107.083
bonds (distance) P-C4' energy: -125.326
flat angles C4'-P-C4' energy: -114.059
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -99.432
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: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -904.984056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.984056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.984056 (E_RNA)
where:
Base-Base interactions energy: -451.419
where: short stacking energy: -252.997
Base-Backbone interact. energy: 2.902
local terms energy: -456.467489
where:
bonds (distance) C4'-P energy: -130.044
bonds (distance) P-C4' energy: -134.843
flat angles C4'-P-C4' energy: -104.472
flat angles P-C4'-P energy: -67.102
tors. eta vs tors. theta energy: -20.006
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: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -669.373400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.373400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.373400 (E_RNA)
where:
Base-Base interactions energy: -301.286
where: short stacking energy: -189.063
Base-Backbone interact. energy: 1.776
local terms energy: -369.863741
where:
bonds (distance) C4'-P energy: -100.871
bonds (distance) P-C4' energy: -137.857
flat angles C4'-P-C4' energy: -99.617
flat angles P-C4'-P energy: -42.501
tors. eta vs tors. theta energy: 10.982
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: 406
Temperature: 0.900000
Total energy: -2655.136990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.136990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.136990 (E_RNA)
where:
Base-Base interactions energy: -1841.035
where: short stacking energy: -789.887
Base-Backbone interact. energy: -2.691
local terms energy: -811.410898
where:
bonds (distance) C4'-P energy: -147.353
bonds (distance) P-C4' energy: -143.066
flat angles C4'-P-C4' energy: -165.835
flat angles P-C4'-P energy: -118.892
tors. eta vs tors. theta energy: -236.265
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: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2551.750902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.750902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.750902 (E_RNA)
where:
Base-Base interactions energy: -1745.031
where: short stacking energy: -777.459
Base-Backbone interact. energy: 0.494
local terms energy: -807.214242
where:
bonds (distance) C4'-P energy: -148.076
bonds (distance) P-C4' energy: -144.205
flat angles C4'-P-C4' energy: -158.918
flat angles P-C4'-P energy: -119.539
tors. eta vs tors. theta energy: -236.477
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: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2531.533209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.533209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.533209 (E_RNA)
where:
Base-Base interactions energy: -1756.581
where: short stacking energy: -717.186
Base-Backbone interact. energy: 1.220
local terms energy: -776.172446
where:
bonds (distance) C4'-P energy: -138.384
bonds (distance) P-C4' energy: -147.683
flat angles C4'-P-C4' energy: -166.176
flat angles P-C4'-P energy: -109.235
tors. eta vs tors. theta energy: -214.695
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: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2401.188129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.188129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.188129 (E_RNA)
where:
Base-Base interactions energy: -1666.453
where: short stacking energy: -718.333
Base-Backbone interact. energy: -3.662
local terms energy: -731.073356
where:
bonds (distance) C4'-P energy: -133.452
bonds (distance) P-C4' energy: -116.003
flat angles C4'-P-C4' energy: -169.020
flat angles P-C4'-P energy: -85.157
tors. eta vs tors. theta energy: -227.441
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: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2247.940848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.940848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.940848 (E_RNA)
where:
Base-Base interactions energy: -1574.075
where: short stacking energy: -657.943
Base-Backbone interact. energy: -0.155
local terms energy: -673.710864
where:
bonds (distance) C4'-P energy: -130.503
bonds (distance) P-C4' energy: -107.108
flat angles C4'-P-C4' energy: -149.096
flat angles P-C4'-P energy: -104.595
tors. eta vs tors. theta energy: -182.408
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: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2074.352724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.352724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.352724 (E_RNA)
where:
Base-Base interactions energy: -1413.317
where: short stacking energy: -595.742
Base-Backbone interact. energy: -1.301
local terms energy: -659.734822
where:
bonds (distance) C4'-P energy: -130.977
bonds (distance) P-C4' energy: -121.085
flat angles C4'-P-C4' energy: -145.818
flat angles P-C4'-P energy: -90.463
tors. eta vs tors. theta energy: -171.393
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: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1744.407121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.407121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.407121 (E_RNA)
where:
Base-Base interactions energy: -1141.413
where: short stacking energy: -527.066
Base-Backbone interact. energy: -3.865
local terms energy: -599.129564
where:
bonds (distance) C4'-P energy: -119.429
bonds (distance) P-C4' energy: -124.679
flat angles C4'-P-C4' energy: -126.505
flat angles P-C4'-P energy: -93.457
tors. eta vs tors. theta energy: -135.059
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: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1597.044194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.044194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.044194 (E_RNA)
where:
Base-Base interactions energy: -1029.194
where: short stacking energy: -459.479
Base-Backbone interact. energy: 3.135
local terms energy: -570.984964
where:
bonds (distance) C4'-P energy: -122.147
bonds (distance) P-C4' energy: -127.899
flat angles C4'-P-C4' energy: -133.826
flat angles P-C4'-P energy: -81.055
tors. eta vs tors. theta energy: -106.059
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: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -972.581192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.581192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.581192 (E_RNA)
where:
Base-Base interactions energy: -510.923
where: short stacking energy: -270.205
Base-Backbone interact. energy: -2.051
local terms energy: -459.607431
where:
bonds (distance) C4'-P energy: -113.019
bonds (distance) P-C4' energy: -121.332
flat angles C4'-P-C4' energy: -106.889
flat angles P-C4'-P energy: -90.639
tors. eta vs tors. theta energy: -27.729
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: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -705.759001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.759001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.759001 (E_RNA)
where:
Base-Base interactions energy: -321.240
where: short stacking energy: -195.571
Base-Backbone interact. energy: -1.912
local terms energy: -382.606959
where:
bonds (distance) C4'-P energy: -102.173
bonds (distance) P-C4' energy: -123.073
flat angles C4'-P-C4' energy: -109.996
flat angles P-C4'-P energy: -60.979
tors. eta vs tors. theta energy: 13.615
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: 407
Temperature: 0.900000
Total energy: -2642.129229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.129229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.129229 (E_RNA)
where:
Base-Base interactions energy: -1831.876
where: short stacking energy: -792.134
Base-Backbone interact. energy: -1.383
local terms energy: -808.870176
where:
bonds (distance) C4'-P energy: -134.690
bonds (distance) P-C4' energy: -148.897
flat angles C4'-P-C4' energy: -174.559
flat angles P-C4'-P energy: -121.853
tors. eta vs tors. theta energy: -228.873
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: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2562.325488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.325488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.325488 (E_RNA)
where:
Base-Base interactions energy: -1767.283
where: short stacking energy: -776.011
Base-Backbone interact. energy: -2.340
local terms energy: -792.702217
where:
bonds (distance) C4'-P energy: -149.525
bonds (distance) P-C4' energy: -141.371
flat angles C4'-P-C4' energy: -164.195
flat angles P-C4'-P energy: -106.600
tors. eta vs tors. theta energy: -231.011
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: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2513.629121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.629121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.629121 (E_RNA)
where:
Base-Base interactions energy: -1782.160
where: short stacking energy: -757.302
Base-Backbone interact. energy: 4.604
local terms energy: -736.073704
where:
bonds (distance) C4'-P energy: -131.259
bonds (distance) P-C4' energy: -122.437
flat angles C4'-P-C4' energy: -155.394
flat angles P-C4'-P energy: -108.964
tors. eta vs tors. theta energy: -218.020
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: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2378.421018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.421018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.421018 (E_RNA)
where:
Base-Base interactions energy: -1670.255
where: short stacking energy: -726.220
Base-Backbone interact. energy: -2.707
local terms energy: -705.459556
where:
bonds (distance) C4'-P energy: -123.474
bonds (distance) P-C4' energy: -131.327
flat angles C4'-P-C4' energy: -150.356
flat angles P-C4'-P energy: -95.020
tors. eta vs tors. theta energy: -205.283
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: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2226.422235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.422235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.422235 (E_RNA)
where:
Base-Base interactions energy: -1566.680
where: short stacking energy: -660.280
Base-Backbone interact. energy: 4.315
local terms energy: -664.058125
where:
bonds (distance) C4'-P energy: -118.999
bonds (distance) P-C4' energy: -118.194
flat angles C4'-P-C4' energy: -149.499
flat angles P-C4'-P energy: -99.385
tors. eta vs tors. theta energy: -177.981
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: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2102.948181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.948181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.948181 (E_RNA)
where:
Base-Base interactions energy: -1432.521
where: short stacking energy: -625.863
Base-Backbone interact. energy: -2.791
local terms energy: -667.636677
where:
bonds (distance) C4'-P energy: -127.242
bonds (distance) P-C4' energy: -122.516
flat angles C4'-P-C4' energy: -146.552
flat angles P-C4'-P energy: -107.096
tors. eta vs tors. theta energy: -164.231
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: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1737.201615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.201615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.201615 (E_RNA)
where:
Base-Base interactions energy: -1111.207
where: short stacking energy: -534.939
Base-Backbone interact. energy: -4.354
local terms energy: -621.640729
where:
bonds (distance) C4'-P energy: -130.609
bonds (distance) P-C4' energy: -123.035
flat angles C4'-P-C4' energy: -152.836
flat angles P-C4'-P energy: -82.706
tors. eta vs tors. theta energy: -132.454
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: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1564.289848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.289848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.289848 (E_RNA)
where:
Base-Base interactions energy: -1007.404
where: short stacking energy: -444.567
Base-Backbone interact. energy: -0.635
local terms energy: -556.251380
where:
bonds (distance) C4'-P energy: -122.762
bonds (distance) P-C4' energy: -132.427
flat angles C4'-P-C4' energy: -128.740
flat angles P-C4'-P energy: -78.638
tors. eta vs tors. theta energy: -93.684
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: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -933.929829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.929829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.929829 (E_RNA)
where:
Base-Base interactions energy: -519.723
where: short stacking energy: -272.951
Base-Backbone interact. energy: -2.110
local terms energy: -412.096477
where:
bonds (distance) C4'-P energy: -100.490
bonds (distance) P-C4' energy: -121.692
flat angles C4'-P-C4' energy: -111.910
flat angles P-C4'-P energy: -64.017
tors. eta vs tors. theta energy: -13.988
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: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -713.313829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.313829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.313829 (E_RNA)
where:
Base-Base interactions energy: -324.058
where: short stacking energy: -194.004
Base-Backbone interact. energy: -2.283
local terms energy: -386.973122
where:
bonds (distance) C4'-P energy: -109.439
bonds (distance) P-C4' energy: -128.636
flat angles C4'-P-C4' energy: -110.194
flat angles P-C4'-P energy: -47.354
tors. eta vs tors. theta energy: 8.650
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: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2635.093014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.093014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.093014 (E_RNA)
where:
Base-Base interactions energy: -1806.241
where: short stacking energy: -773.293
Base-Backbone interact. energy: -2.319
local terms energy: -826.532494
where:
bonds (distance) C4'-P energy: -149.003
bonds (distance) P-C4' energy: -153.026
flat angles C4'-P-C4' energy: -175.461
flat angles P-C4'-P energy: -116.115
tors. eta vs tors. theta energy: -232.927
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: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2568.607624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.607624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.607624 (E_RNA)
where:
Base-Base interactions energy: -1760.046
where: short stacking energy: -799.917
Base-Backbone interact. energy: -2.886
local terms energy: -805.675977
where:
bonds (distance) C4'-P energy: -133.588
bonds (distance) P-C4' energy: -141.881
flat angles C4'-P-C4' energy: -170.719
flat angles P-C4'-P energy: -119.868
tors. eta vs tors. theta energy: -239.620
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: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2500.791183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.791183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.791183 (E_RNA)
where:
Base-Base interactions energy: -1749.288
where: short stacking energy: -732.437
Base-Backbone interact. energy: 0.233
local terms energy: -751.735952
where:
bonds (distance) C4'-P energy: -146.208
bonds (distance) P-C4' energy: -135.876
flat angles C4'-P-C4' energy: -160.542
flat angles P-C4'-P energy: -105.127
tors. eta vs tors. theta energy: -203.982
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: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2379.707603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.707603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.707603 (E_RNA)
where:
Base-Base interactions energy: -1620.590
where: short stacking energy: -721.762
Base-Backbone interact. energy: -0.232
local terms energy: -758.885116
where:
bonds (distance) C4'-P energy: -121.439
bonds (distance) P-C4' energy: -133.812
flat angles C4'-P-C4' energy: -169.565
flat angles P-C4'-P energy: -115.014
tors. eta vs tors. theta energy: -219.056
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: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2198.055363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.055363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.055363 (E_RNA)
where:
Base-Base interactions energy: -1502.900
where: short stacking energy: -644.192
Base-Backbone interact. energy: -0.316
local terms energy: -694.839416
where:
bonds (distance) C4'-P energy: -129.536
bonds (distance) P-C4' energy: -148.143
flat angles C4'-P-C4' energy: -149.536
flat angles P-C4'-P energy: -91.229
tors. eta vs tors. theta energy: -176.396
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: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2193.807450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.807450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.807450 (E_RNA)
where:
Base-Base interactions energy: -1481.395
where: short stacking energy: -626.784
Base-Backbone interact. energy: -1.391
local terms energy: -711.021518
where:
bonds (distance) C4'-P energy: -141.823
bonds (distance) P-C4' energy: -126.678
flat angles C4'-P-C4' energy: -156.092
flat angles P-C4'-P energy: -96.928
tors. eta vs tors. theta energy: -189.501
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: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1778.561303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.561303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.561303 (E_RNA)
where:
Base-Base interactions energy: -1182.779
where: short stacking energy: -547.073
Base-Backbone interact. energy: -3.446
local terms energy: -592.337256
where:
bonds (distance) C4'-P energy: -95.625
bonds (distance) P-C4' energy: -122.296
flat angles C4'-P-C4' energy: -151.116
flat angles P-C4'-P energy: -82.805
tors. eta vs tors. theta energy: -140.496
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: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1552.167800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.167800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.167800 (E_RNA)
where:
Base-Base interactions energy: -1026.242
where: short stacking energy: -438.433
Base-Backbone interact. energy: 6.234
local terms energy: -532.159942
where:
bonds (distance) C4'-P energy: -95.064
bonds (distance) P-C4' energy: -129.364
flat angles C4'-P-C4' energy: -119.727
flat angles P-C4'-P energy: -87.870
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: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -956.439318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.439318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.439318 (E_RNA)
where:
Base-Base interactions energy: -529.155
where: short stacking energy: -280.383
Base-Backbone interact. energy: -0.864
local terms energy: -426.420644
where:
bonds (distance) C4'-P energy: -120.390
bonds (distance) P-C4' energy: -114.623
flat angles C4'-P-C4' energy: -109.114
flat angles P-C4'-P energy: -59.999
tors. eta vs tors. theta energy: -22.294
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: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -769.968781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.968781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.968781 (E_RNA)
where:
Base-Base interactions energy: -375.657
where: short stacking energy: -214.963
Base-Backbone interact. energy: -1.527
local terms energy: -392.784174
where:
bonds (distance) C4'-P energy: -118.831
bonds (distance) P-C4' energy: -120.577
flat angles C4'-P-C4' energy: -108.716
flat angles P-C4'-P energy: -52.738
tors. eta vs tors. theta energy: 8.079
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: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2629.243633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.243633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.243633 (E_RNA)
where:
Base-Base interactions energy: -1839.473
where: short stacking energy: -783.732
Base-Backbone interact. energy: -0.063
local terms energy: -789.707547
where:
bonds (distance) C4'-P energy: -131.256
bonds (distance) P-C4' energy: -150.805
flat angles C4'-P-C4' energy: -166.898
flat angles P-C4'-P energy: -103.875
tors. eta vs tors. theta energy: -236.873
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: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2547.919404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.919404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.919404 (E_RNA)
where:
Base-Base interactions energy: -1748.870
where: short stacking energy: -764.344
Base-Backbone interact. energy: -3.215
local terms energy: -795.833947
where:
bonds (distance) C4'-P energy: -142.367
bonds (distance) P-C4' energy: -142.664
flat angles C4'-P-C4' energy: -168.851
flat angles P-C4'-P energy: -100.302
tors. eta vs tors. theta energy: -241.650
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: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2497.245747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.245747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.245747 (E_RNA)
where:
Base-Base interactions energy: -1732.695
where: short stacking energy: -720.387
Base-Backbone interact. energy: 2.174
local terms energy: -766.724975
where:
bonds (distance) C4'-P energy: -144.276
bonds (distance) P-C4' energy: -139.869
flat angles C4'-P-C4' energy: -161.069
flat angles P-C4'-P energy: -107.018
tors. eta vs tors. theta energy: -214.493
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: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2375.988732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.988732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.988732 (E_RNA)
where:
Base-Base interactions energy: -1663.734
where: short stacking energy: -735.500
Base-Backbone interact. energy: -1.329
local terms energy: -710.926012
where:
bonds (distance) C4'-P energy: -109.001
bonds (distance) P-C4' energy: -130.533
flat angles C4'-P-C4' energy: -159.846
flat angles P-C4'-P energy: -112.701
tors. eta vs tors. theta energy: -198.846
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: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2188.395879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.395879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.395879 (E_RNA)
where:
Base-Base interactions energy: -1495.955
where: short stacking energy: -619.722
Base-Backbone interact. energy: -2.211
local terms energy: -690.229343
where:
bonds (distance) C4'-P energy: -134.429
bonds (distance) P-C4' energy: -138.886
flat angles C4'-P-C4' energy: -155.698
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -178.344
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2128.665376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.665376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.665376 (E_RNA)
where:
Base-Base interactions energy: -1480.868
where: short stacking energy: -590.616
Base-Backbone interact. energy: -3.062
local terms energy: -644.735172
where:
bonds (distance) C4'-P energy: -121.475
bonds (distance) P-C4' energy: -119.101
flat angles C4'-P-C4' energy: -152.558
flat angles P-C4'-P energy: -90.348
tors. eta vs tors. theta energy: -161.253
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: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1749.458427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.458427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.458427 (E_RNA)
where:
Base-Base interactions energy: -1122.932
where: short stacking energy: -517.961
Base-Backbone interact. energy: -1.553
local terms energy: -624.973283
where:
bonds (distance) C4'-P energy: -116.801
bonds (distance) P-C4' energy: -147.012
flat angles C4'-P-C4' energy: -142.802
flat angles P-C4'-P energy: -91.071
tors. eta vs tors. theta energy: -127.289
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: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1607.373033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.373033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.373033 (E_RNA)
where:
Base-Base interactions energy: -1076.080
where: short stacking energy: -477.154
Base-Backbone interact. energy: -2.981
local terms energy: -528.312440
where:
bonds (distance) C4'-P energy: -84.007
bonds (distance) P-C4' energy: -129.895
flat angles C4'-P-C4' energy: -135.271
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -109.048
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: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -923.965745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.965745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.965745 (E_RNA)
where:
Base-Base interactions energy: -533.224
where: short stacking energy: -283.584
Base-Backbone interact. energy: -2.268
local terms energy: -388.474488
where:
bonds (distance) C4'-P energy: -104.659
bonds (distance) P-C4' energy: -98.653
flat angles C4'-P-C4' energy: -107.695
flat angles P-C4'-P energy: -60.510
tors. eta vs tors. theta energy: -16.958
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: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -744.062753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.062753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.062753 (E_RNA)
where:
Base-Base interactions energy: -350.616
where: short stacking energy: -197.363
Base-Backbone interact. energy: 1.305
local terms energy: -394.752007
where:
bonds (distance) C4'-P energy: -97.776
bonds (distance) P-C4' energy: -123.621
flat angles C4'-P-C4' energy: -125.003
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: -0.712
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: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2630.979974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.979974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.979974 (E_RNA)
where:
Base-Base interactions energy: -1817.398
where: short stacking energy: -806.212
Base-Backbone interact. energy: -4.711
local terms energy: -808.871374
where:
bonds (distance) C4'-P energy: -139.969
bonds (distance) P-C4' energy: -143.304
flat angles C4'-P-C4' energy: -166.524
flat angles P-C4'-P energy: -118.314
tors. eta vs tors. theta energy: -240.760
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: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2603.004187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.004187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.004187 (E_RNA)
where:
Base-Base interactions energy: -1817.532
where: short stacking energy: -785.537
Base-Backbone interact. energy: -0.365
local terms energy: -785.107294
where:
bonds (distance) C4'-P energy: -130.646
bonds (distance) P-C4' energy: -150.612
flat angles C4'-P-C4' energy: -163.947
flat angles P-C4'-P energy: -108.083
tors. eta vs tors. theta energy: -231.819
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: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2506.031261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.031261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.031261 (E_RNA)
where:
Base-Base interactions energy: -1766.844
where: short stacking energy: -736.516
Base-Backbone interact. energy: -1.968
local terms energy: -737.219066
where:
bonds (distance) C4'-P energy: -125.519
bonds (distance) P-C4' energy: -132.578
flat angles C4'-P-C4' energy: -152.251
flat angles P-C4'-P energy: -118.643
tors. eta vs tors. theta energy: -208.228
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: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2392.070061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.070061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.070061 (E_RNA)
where:
Base-Base interactions energy: -1660.607
where: short stacking energy: -713.353
Base-Backbone interact. energy: 1.441
local terms energy: -732.904692
where:
bonds (distance) C4'-P energy: -133.343
bonds (distance) P-C4' energy: -138.097
flat angles C4'-P-C4' energy: -142.112
flat angles P-C4'-P energy: -104.886
tors. eta vs tors. theta energy: -214.467
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: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2260.715352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.715352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.715352 (E_RNA)
where:
Base-Base interactions energy: -1569.022
where: short stacking energy: -672.497
Base-Backbone interact. energy: -1.680
local terms energy: -690.013693
where:
bonds (distance) C4'-P energy: -117.014
bonds (distance) P-C4' energy: -126.386
flat angles C4'-P-C4' energy: -155.497
flat angles P-C4'-P energy: -106.541
tors. eta vs tors. theta energy: -184.576
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: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2097.414476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.414476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.414476 (E_RNA)
where:
Base-Base interactions energy: -1429.268
where: short stacking energy: -613.092
Base-Backbone interact. energy: -3.207
local terms energy: -664.938678
where:
bonds (distance) C4'-P energy: -121.088
bonds (distance) P-C4' energy: -117.422
flat angles C4'-P-C4' energy: -156.439
flat angles P-C4'-P energy: -95.937
tors. eta vs tors. theta energy: -174.053
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: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1757.009283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.009283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.009283 (E_RNA)
where:
Base-Base interactions energy: -1157.177
where: short stacking energy: -517.460
Base-Backbone interact. energy: -2.454
local terms energy: -597.378455
where:
bonds (distance) C4'-P energy: -124.918
bonds (distance) P-C4' energy: -124.667
flat angles C4'-P-C4' energy: -132.480
flat angles P-C4'-P energy: -86.027
tors. eta vs tors. theta energy: -129.286
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: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1516.753389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.753389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.753389 (E_RNA)
where:
Base-Base interactions energy: -965.592
where: short stacking energy: -447.983
Base-Backbone interact. energy: -3.103
local terms energy: -548.059292
where:
bonds (distance) C4'-P energy: -115.201
bonds (distance) P-C4' energy: -133.304
flat angles C4'-P-C4' energy: -119.775
flat angles P-C4'-P energy: -95.166
tors. eta vs tors. theta energy: -84.614
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: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -929.194644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.194644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.194644 (E_RNA)
where:
Base-Base interactions energy: -518.012
where: short stacking energy: -257.243
Base-Backbone interact. energy: 1.032
local terms energy: -412.214628
where:
bonds (distance) C4'-P energy: -109.126
bonds (distance) P-C4' energy: -116.948
flat angles C4'-P-C4' energy: -103.256
flat angles P-C4'-P energy: -68.030
tors. eta vs tors. theta energy: -14.855
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: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -749.345492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.345492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.345492 (E_RNA)
where:
Base-Base interactions energy: -366.914
where: short stacking energy: -211.727
Base-Backbone interact. energy: 3.295
local terms energy: -385.725814
where:
bonds (distance) C4'-P energy: -119.851
bonds (distance) P-C4' energy: -106.953
flat angles C4'-P-C4' energy: -112.206
flat angles P-C4'-P energy: -65.648
tors. eta vs tors. theta energy: 18.933
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: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2636.192876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.192876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.192876 (E_RNA)
where:
Base-Base interactions energy: -1804.696
where: short stacking energy: -803.466
Base-Backbone interact. energy: 0.466
local terms energy: -831.962906
where:
bonds (distance) C4'-P energy: -139.409
bonds (distance) P-C4' energy: -156.012
flat angles C4'-P-C4' energy: -177.447
flat angles P-C4'-P energy: -116.314
tors. eta vs tors. theta energy: -242.781
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: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2572.870331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.870331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.870331 (E_RNA)
where:
Base-Base interactions energy: -1789.809
where: short stacking energy: -754.175
Base-Backbone interact. energy: -2.758
local terms energy: -780.303723
where:
bonds (distance) C4'-P energy: -145.871
bonds (distance) P-C4' energy: -148.136
flat angles C4'-P-C4' energy: -156.668
flat angles P-C4'-P energy: -112.313
tors. eta vs tors. theta energy: -217.317
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: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2528.011366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.011366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.011366 (E_RNA)
where:
Base-Base interactions energy: -1741.354
where: short stacking energy: -734.527
Base-Backbone interact. energy: -3.800
local terms energy: -782.856713
where:
bonds (distance) C4'-P energy: -129.671
bonds (distance) P-C4' energy: -141.581
flat angles C4'-P-C4' energy: -160.854
flat angles P-C4'-P energy: -112.967
tors. eta vs tors. theta energy: -237.784
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: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2392.150129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.150129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.150129 (E_RNA)
where:
Base-Base interactions energy: -1654.974
where: short stacking energy: -733.239
Base-Backbone interact. energy: 5.338
local terms energy: -742.513599
where:
bonds (distance) C4'-P energy: -138.425
bonds (distance) P-C4' energy: -137.875
flat angles C4'-P-C4' energy: -160.793
flat angles P-C4'-P energy: -99.893
tors. eta vs tors. theta energy: -205.528
Dist. restrs. and SS energy: 0.000 (S_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: 411
Temperature: 1.100000
Total energy: -2250.734372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.734372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.734372 (E_RNA)
where:
Base-Base interactions energy: -1538.883
where: short stacking energy: -646.149
Base-Backbone interact. energy: -0.258
local terms energy: -711.592878
where:
bonds (distance) C4'-P energy: -131.832
bonds (distance) P-C4' energy: -133.959
flat angles C4'-P-C4' energy: -152.327
flat angles P-C4'-P energy: -106.412
tors. eta vs tors. theta energy: -187.064
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: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2108.354106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.354106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.354106 (E_RNA)
where:
Base-Base interactions energy: -1448.147
where: short stacking energy: -603.920
Base-Backbone interact. energy: -3.010
local terms energy: -657.197211
where:
bonds (distance) C4'-P energy: -135.292
bonds (distance) P-C4' energy: -113.685
flat angles C4'-P-C4' energy: -137.464
flat angles P-C4'-P energy: -96.358
tors. eta vs tors. theta energy: -174.398
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: 411
Temperature: 1.200000
Total energy: -1806.496989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.496989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.496989 (E_RNA)
where:
Base-Base interactions energy: -1201.907
where: short stacking energy: -536.102
Base-Backbone interact. energy: -2.396
local terms energy: -602.193908
where:
bonds (distance) C4'-P energy: -108.613
bonds (distance) P-C4' energy: -135.913
flat angles C4'-P-C4' energy: -138.338
flat angles P-C4'-P energy: -72.907
tors. eta vs tors. theta energy: -146.423
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: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1603.744822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.744822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.744822 (E_RNA)
where:
Base-Base interactions energy: -1019.721
where: short stacking energy: -502.912
Base-Backbone interact. energy: -2.504
local terms energy: -581.520356
where:
bonds (distance) C4'-P energy: -107.290
bonds (distance) P-C4' energy: -127.107
flat angles C4'-P-C4' energy: -147.063
flat angles P-C4'-P energy: -64.687
tors. eta vs tors. theta energy: -135.373
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: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -879.085074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.085074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.085074 (E_RNA)
where:
Base-Base interactions energy: -452.742
where: short stacking energy: -266.119
Base-Backbone interact. energy: -0.531
local terms energy: -425.812073
where:
bonds (distance) C4'-P energy: -105.096
bonds (distance) P-C4' energy: -127.638
flat angles C4'-P-C4' energy: -114.567
flat angles P-C4'-P energy: -79.015
tors. eta vs tors. theta energy: 0.504
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: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -727.770936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.770936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.770936 (E_RNA)
where:
Base-Base interactions energy: -340.227
where: short stacking energy: -203.884
Base-Backbone interact. energy: -2.341
local terms energy: -385.202386
where:
bonds (distance) C4'-P energy: -125.980
bonds (distance) P-C4' energy: -101.566
flat angles C4'-P-C4' energy: -103.162
flat angles P-C4'-P energy: -66.407
tors. eta vs tors. theta energy: 11.912
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: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2618.202754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.202754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.202754 (E_RNA)
where:
Base-Base interactions energy: -1792.503
where: short stacking energy: -799.675
Base-Backbone interact. energy: -4.114
local terms energy: -821.586013
where:
bonds (distance) C4'-P energy: -158.920
bonds (distance) P-C4' energy: -147.206
flat angles C4'-P-C4' energy: -170.304
flat angles P-C4'-P energy: -112.591
tors. eta vs tors. theta energy: -232.565
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: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2564.058539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.058539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.058539 (E_RNA)
where:
Base-Base interactions energy: -1810.271
where: short stacking energy: -747.037
Base-Backbone interact. energy: -7.448
local terms energy: -746.339023
where:
bonds (distance) C4'-P energy: -125.866
bonds (distance) P-C4' energy: -132.885
flat angles C4'-P-C4' energy: -168.900
flat angles P-C4'-P energy: -110.420
tors. eta vs tors. theta energy: -208.268
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: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2531.175268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.175268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.175268 (E_RNA)
where:
Base-Base interactions energy: -1725.976
where: short stacking energy: -744.694
Base-Backbone interact. energy: -3.115
local terms energy: -802.084271
where:
bonds (distance) C4'-P energy: -149.199
bonds (distance) P-C4' energy: -142.358
flat angles C4'-P-C4' energy: -170.234
flat angles P-C4'-P energy: -104.232
tors. eta vs tors. theta energy: -236.061
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: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2423.280360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.280360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.280360 (E_RNA)
where:
Base-Base interactions energy: -1655.252
where: short stacking energy: -710.386
Base-Backbone interact. energy: -3.082
local terms energy: -764.945996
where:
bonds (distance) C4'-P energy: -117.656
bonds (distance) P-C4' energy: -153.516
flat angles C4'-P-C4' energy: -157.623
flat angles P-C4'-P energy: -115.335
tors. eta vs tors. theta energy: -220.817
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: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2229.069838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.069838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.069838 (E_RNA)
where:
Base-Base interactions energy: -1516.067
where: short stacking energy: -648.492
Base-Backbone interact. energy: -4.327
local terms energy: -708.676221
where:
bonds (distance) C4'-P energy: -123.600
bonds (distance) P-C4' energy: -137.727
flat angles C4'-P-C4' energy: -153.592
flat angles P-C4'-P energy: -106.809
tors. eta vs tors. theta energy: -186.948
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: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2107.562075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.562075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.562075 (E_RNA)
where:
Base-Base interactions energy: -1432.552
where: short stacking energy: -630.543
Base-Backbone interact. energy: -4.778
local terms energy: -670.231520
where:
bonds (distance) C4'-P energy: -117.070
bonds (distance) P-C4' energy: -132.854
flat angles C4'-P-C4' energy: -136.498
flat angles P-C4'-P energy: -98.745
tors. eta vs tors. theta energy: -185.065
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: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1773.840831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.840831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.840831 (E_RNA)
where:
Base-Base interactions energy: -1183.712
where: short stacking energy: -525.916
Base-Backbone interact. energy: -2.796
local terms energy: -587.333285
where:
bonds (distance) C4'-P energy: -106.653
bonds (distance) P-C4' energy: -119.573
flat angles C4'-P-C4' energy: -145.060
flat angles P-C4'-P energy: -76.148
tors. eta vs tors. theta energy: -139.900
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: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1445.026000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.026000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.026000 (E_RNA)
where:
Base-Base interactions energy: -916.335
where: short stacking energy: -406.530
Base-Backbone interact. energy: -2.268
local terms energy: -526.422408
where:
bonds (distance) C4'-P energy: -113.298
bonds (distance) P-C4' energy: -127.924
flat angles C4'-P-C4' energy: -116.434
flat angles P-C4'-P energy: -73.035
tors. eta vs tors. theta energy: -95.731
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: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -856.950669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.950669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.950669 (E_RNA)
where:
Base-Base interactions energy: -419.719
where: short stacking energy: -260.543
Base-Backbone interact. energy: -2.268
local terms energy: -434.963992
where:
bonds (distance) C4'-P energy: -120.642
bonds (distance) P-C4' energy: -138.145
flat angles C4'-P-C4' energy: -105.913
flat angles P-C4'-P energy: -62.286
tors. eta vs tors. theta energy: -7.978
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: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -773.961317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.961317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.961317 (E_RNA)
where:
Base-Base interactions energy: -362.334
where: short stacking energy: -214.500
Base-Backbone interact. energy: 1.975
local terms energy: -413.602208
where:
bonds (distance) C4'-P energy: -103.983
bonds (distance) P-C4' energy: -131.035
flat angles C4'-P-C4' energy: -107.557
flat angles P-C4'-P energy: -59.283
tors. eta vs tors. theta energy: -11.744
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: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2611.595992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.595992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.595992 (E_RNA)
where:
Base-Base interactions energy: -1785.984
where: short stacking energy: -795.661
Base-Backbone interact. energy: -3.245
local terms energy: -822.366837
where:
bonds (distance) C4'-P energy: -135.304
bonds (distance) P-C4' energy: -153.090
flat angles C4'-P-C4' energy: -179.227
flat angles P-C4'-P energy: -117.239
tors. eta vs tors. theta energy: -237.508
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: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2584.681724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.681724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.681724 (E_RNA)
where:
Base-Base interactions energy: -1796.485
where: short stacking energy: -728.203
Base-Backbone interact. energy: -1.911
local terms energy: -786.285258
where:
bonds (distance) C4'-P energy: -143.276
bonds (distance) P-C4' energy: -156.736
flat angles C4'-P-C4' energy: -173.804
flat angles P-C4'-P energy: -99.705
tors. eta vs tors. theta energy: -212.764
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: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2523.080017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.080017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.080017 (E_RNA)
where:
Base-Base interactions energy: -1745.711
where: short stacking energy: -742.953
Base-Backbone interact. energy: -1.326
local terms energy: -776.043411
where:
bonds (distance) C4'-P energy: -133.197
bonds (distance) P-C4' energy: -142.471
flat angles C4'-P-C4' energy: -154.592
flat angles P-C4'-P energy: -120.820
tors. eta vs tors. theta energy: -224.963
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: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2409.559782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.559782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.559782 (E_RNA)
where:
Base-Base interactions energy: -1669.108
where: short stacking energy: -729.828
Base-Backbone interact. energy: -2.864
local terms energy: -737.587352
where:
bonds (distance) C4'-P energy: -117.668
bonds (distance) P-C4' energy: -148.535
flat angles C4'-P-C4' energy: -157.432
flat angles P-C4'-P energy: -86.087
tors. eta vs tors. theta energy: -227.865
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: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2194.554468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.554468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.554468 (E_RNA)
where:
Base-Base interactions energy: -1503.536
where: short stacking energy: -632.804
Base-Backbone interact. energy: -1.856
local terms energy: -689.162587
where:
bonds (distance) C4'-P energy: -138.065
bonds (distance) P-C4' energy: -116.954
flat angles C4'-P-C4' energy: -156.511
flat angles P-C4'-P energy: -112.753
tors. eta vs tors. theta energy: -164.878
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: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2148.991558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.991558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.991558 (E_RNA)
where:
Base-Base interactions energy: -1491.514
where: short stacking energy: -650.210
Base-Backbone interact. energy: 0.749
local terms energy: -658.227059
where:
bonds (distance) C4'-P energy: -134.272
bonds (distance) P-C4' energy: -131.469
flat angles C4'-P-C4' energy: -117.925
flat angles P-C4'-P energy: -100.691
tors. eta vs tors. theta energy: -173.870
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: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1735.178306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.178306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.178306 (E_RNA)
where:
Base-Base interactions energy: -1155.244
where: short stacking energy: -541.548
Base-Backbone interact. energy: 0.469
local terms energy: -580.402493
where:
bonds (distance) C4'-P energy: -115.320
bonds (distance) P-C4' energy: -134.283
flat angles C4'-P-C4' energy: -114.149
flat angles P-C4'-P energy: -83.736
tors. eta vs tors. theta energy: -132.915
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: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1457.748326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.748326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.748326 (E_RNA)
where:
Base-Base interactions energy: -910.288
where: short stacking energy: -415.683
Base-Backbone interact. energy: -1.698
local terms energy: -545.762267
where:
bonds (distance) C4'-P energy: -127.933
bonds (distance) P-C4' energy: -122.196
flat angles C4'-P-C4' energy: -119.837
flat angles P-C4'-P energy: -86.080
tors. eta vs tors. theta energy: -89.717
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: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -836.122448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.122448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.122448 (E_RNA)
where:
Base-Base interactions energy: -405.846
where: short stacking energy: -263.690
Base-Backbone interact. energy: 1.412
local terms energy: -431.688661
where:
bonds (distance) C4'-P energy: -114.691
bonds (distance) P-C4' energy: -114.599
flat angles C4'-P-C4' energy: -113.358
flat angles P-C4'-P energy: -65.774
tors. eta vs tors. theta energy: -23.266
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: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -731.131328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.131328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.131328 (E_RNA)
where:
Base-Base interactions energy: -355.717
where: short stacking energy: -227.071
Base-Backbone interact. energy: 0.193
local terms energy: -375.607583
where:
bonds (distance) C4'-P energy: -130.281
bonds (distance) P-C4' energy: -110.049
flat angles C4'-P-C4' energy: -85.508
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -4.620
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: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2590.979542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.979542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.979542 (E_RNA)
where:
Base-Base interactions energy: -1786.072
where: short stacking energy: -765.061
Base-Backbone interact. energy: -1.443
local terms energy: -803.464424
where:
bonds (distance) C4'-P energy: -134.365
bonds (distance) P-C4' energy: -152.600
flat angles C4'-P-C4' energy: -164.793
flat angles P-C4'-P energy: -122.778
tors. eta vs tors. theta energy: -228.928
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: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2589.134661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.134661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.134661 (E_RNA)
where:
Base-Base interactions energy: -1819.399
where: short stacking energy: -762.394
Base-Backbone interact. energy: -2.640
local terms energy: -767.095671
where:
bonds (distance) C4'-P energy: -143.479
bonds (distance) P-C4' energy: -130.361
flat angles C4'-P-C4' energy: -162.460
flat angles P-C4'-P energy: -116.238
tors. eta vs tors. theta energy: -214.558
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: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2537.254897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.254897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.254897 (E_RNA)
where:
Base-Base interactions energy: -1756.704
where: short stacking energy: -763.344
Base-Backbone interact. energy: 1.023
local terms energy: -781.573266
where:
bonds (distance) C4'-P energy: -125.843
bonds (distance) P-C4' energy: -143.625
flat angles C4'-P-C4' energy: -159.464
flat angles P-C4'-P energy: -109.299
tors. eta vs tors. theta energy: -243.343
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: 4, replica: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2411.637906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.637906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.637906 (E_RNA)
where:
Base-Base interactions energy: -1685.679
where: short stacking energy: -738.038
Base-Backbone interact. energy: -3.367
local terms energy: -722.591359
where:
bonds (distance) C4'-P energy: -131.155
bonds (distance) P-C4' energy: -127.359
flat angles C4'-P-C4' energy: -154.653
flat angles P-C4'-P energy: -102.466
tors. eta vs tors. theta energy: -206.958
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: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2238.018407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.018407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.018407 (E_RNA)
where:
Base-Base interactions energy: -1533.984
where: short stacking energy: -633.039
Base-Backbone interact. energy: -1.077
local terms energy: -702.957112
where:
bonds (distance) C4'-P energy: -125.757
bonds (distance) P-C4' energy: -146.556
flat angles C4'-P-C4' energy: -156.438
flat angles P-C4'-P energy: -102.832
tors. eta vs tors. theta energy: -171.376
Dist. restrs. and SS energy: 0.000 (S_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: 414
Temperature: 1.150000
Total energy: -2115.780393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.780393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.780393 (E_RNA)
where:
Base-Base interactions energy: -1448.164
where: short stacking energy: -623.012
Base-Backbone interact. energy: -0.184
local terms energy: -667.431927
where:
bonds (distance) C4'-P energy: -129.188
bonds (distance) P-C4' energy: -125.034
flat angles C4'-P-C4' energy: -141.435
flat angles P-C4'-P energy: -100.464
tors. eta vs tors. theta energy: -171.311
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: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1760.775689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.775689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.775689 (E_RNA)
where:
Base-Base interactions energy: -1147.824
where: short stacking energy: -546.819
Base-Backbone interact. energy: 0.445
local terms energy: -613.396473
where:
bonds (distance) C4'-P energy: -107.686
bonds (distance) P-C4' energy: -133.652
flat angles C4'-P-C4' energy: -138.125
flat angles P-C4'-P energy: -97.624
tors. eta vs tors. theta energy: -136.310
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: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1503.357647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.357647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.357647 (E_RNA)
where:
Base-Base interactions energy: -968.755
where: short stacking energy: -439.883
Base-Backbone interact. energy: -0.970
local terms energy: -533.632666
where:
bonds (distance) C4'-P energy: -102.572
bonds (distance) P-C4' energy: -128.564
flat angles C4'-P-C4' energy: -125.607
flat angles P-C4'-P energy: -88.168
tors. eta vs tors. theta energy: -88.721
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: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -863.152072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.152072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.152072 (E_RNA)
where:
Base-Base interactions energy: -434.909
where: short stacking energy: -231.350
Base-Backbone interact. energy: -2.772
local terms energy: -425.470956
where:
bonds (distance) C4'-P energy: -118.675
bonds (distance) P-C4' energy: -122.824
flat angles C4'-P-C4' energy: -125.712
flat angles P-C4'-P energy: -64.154
tors. eta vs tors. theta energy: 5.894
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: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -735.493358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.493358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.493358 (E_RNA)
where:
Base-Base interactions energy: -315.613
where: short stacking energy: -203.092
Base-Backbone interact. energy: 4.889
local terms energy: -424.769720
where:
bonds (distance) C4'-P energy: -136.490
bonds (distance) P-C4' energy: -123.739
flat angles C4'-P-C4' energy: -110.264
flat angles P-C4'-P energy: -62.992
tors. eta vs tors. theta energy: 8.715
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: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2585.434984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.434984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.434984 (E_RNA)
where:
Base-Base interactions energy: -1773.194
where: short stacking energy: -790.902
Base-Backbone interact. energy: -1.556
local terms energy: -810.684838
where:
bonds (distance) C4'-P energy: -138.744
bonds (distance) P-C4' energy: -163.350
flat angles C4'-P-C4' energy: -164.333
flat angles P-C4'-P energy: -115.593
tors. eta vs tors. theta energy: -228.665
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: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2599.808133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.808133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.808133 (E_RNA)
where:
Base-Base interactions energy: -1836.884
where: short stacking energy: -743.758
Base-Backbone interact. energy: -5.491
local terms energy: -757.433330
where:
bonds (distance) C4'-P energy: -139.782
bonds (distance) P-C4' energy: -144.890
flat angles C4'-P-C4' energy: -153.584
flat angles P-C4'-P energy: -97.363
tors. eta vs tors. theta energy: -221.815
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: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2524.048742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.048742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.048742 (E_RNA)
where:
Base-Base interactions energy: -1743.038
where: short stacking energy: -752.528
Base-Backbone interact. energy: -2.992
local terms energy: -778.019045
where:
bonds (distance) C4'-P energy: -126.199
bonds (distance) P-C4' energy: -139.550
flat angles C4'-P-C4' energy: -169.209
flat angles P-C4'-P energy: -114.792
tors. eta vs tors. theta energy: -228.269
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: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2390.648357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.648357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.648357 (E_RNA)
where:
Base-Base interactions energy: -1671.723
where: short stacking energy: -716.905
Base-Backbone interact. energy: -2.046
local terms energy: -716.878974
where:
bonds (distance) C4'-P energy: -116.940
bonds (distance) P-C4' energy: -142.629
flat angles C4'-P-C4' energy: -157.359
flat angles P-C4'-P energy: -91.338
tors. eta vs tors. theta energy: -208.612
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: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2267.590060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.590060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.590060 (E_RNA)
where:
Base-Base interactions energy: -1576.566
where: short stacking energy: -649.334
Base-Backbone interact. energy: -3.254
local terms energy: -687.770230
where:
bonds (distance) C4'-P energy: -139.243
bonds (distance) P-C4' energy: -126.988
flat angles C4'-P-C4' energy: -137.872
flat angles P-C4'-P energy: -98.657
tors. eta vs tors. theta energy: -185.010
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: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2122.368313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.368313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.368313 (E_RNA)
where:
Base-Base interactions energy: -1449.113
where: short stacking energy: -616.846
Base-Backbone interact. energy: -5.209
local terms energy: -668.046250
where:
bonds (distance) C4'-P energy: -114.373
bonds (distance) P-C4' energy: -144.064
flat angles C4'-P-C4' energy: -140.653
flat angles P-C4'-P energy: -83.533
tors. eta vs tors. theta energy: -185.422
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: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1840.215537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.215537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.215537 (E_RNA)
where:
Base-Base interactions energy: -1200.971
where: short stacking energy: -555.958
Base-Backbone interact. energy: -0.072
local terms energy: -639.172382
where:
bonds (distance) C4'-P energy: -135.048
bonds (distance) P-C4' energy: -134.553
flat angles C4'-P-C4' energy: -127.226
flat angles P-C4'-P energy: -95.172
tors. eta vs tors. theta energy: -147.174
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: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1459.698827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.698827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.698827 (E_RNA)
where:
Base-Base interactions energy: -926.914
where: short stacking energy: -441.337
Base-Backbone interact. energy: -2.443
local terms energy: -530.340904
where:
bonds (distance) C4'-P energy: -103.537
bonds (distance) P-C4' energy: -118.039
flat angles C4'-P-C4' energy: -129.588
flat angles P-C4'-P energy: -80.363
tors. eta vs tors. theta energy: -98.814
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: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -837.351756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.351756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.351756 (E_RNA)
where:
Base-Base interactions energy: -424.118
where: short stacking energy: -238.021
Base-Backbone interact. energy: 1.868
local terms energy: -415.101770
where:
bonds (distance) C4'-P energy: -116.741
bonds (distance) P-C4' energy: -116.894
flat angles C4'-P-C4' energy: -109.245
flat angles P-C4'-P energy: -45.839
tors. eta vs tors. theta energy: -26.382
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: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -786.412818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.412818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.412818 (E_RNA)
where:
Base-Base interactions energy: -396.102
where: short stacking energy: -217.861
Base-Backbone interact. energy: 3.918
local terms energy: -394.228835
where:
bonds (distance) C4'-P energy: -100.444
bonds (distance) P-C4' energy: -121.257
flat angles C4'-P-C4' energy: -120.247
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: -1.943
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: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2619.036279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.036279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.036279 (E_RNA)
where:
Base-Base interactions energy: -1789.467
where: short stacking energy: -785.551
Base-Backbone interact. energy: -3.364
local terms energy: -826.205530
where:
bonds (distance) C4'-P energy: -146.703
bonds (distance) P-C4' energy: -145.200
flat angles C4'-P-C4' energy: -172.932
flat angles P-C4'-P energy: -131.266
tors. eta vs tors. theta energy: -230.104
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: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2623.372967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.372967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.372967 (E_RNA)
where:
Base-Base interactions energy: -1860.893
where: short stacking energy: -751.298
Base-Backbone interact. energy: -4.254
local terms energy: -758.226069
where:
bonds (distance) C4'-P energy: -134.825
bonds (distance) P-C4' energy: -144.662
flat angles C4'-P-C4' energy: -159.393
flat angles P-C4'-P energy: -101.732
tors. eta vs tors. theta energy: -217.615
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: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2527.457091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.457091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.457091 (E_RNA)
where:
Base-Base interactions energy: -1738.367
where: short stacking energy: -730.607
Base-Backbone interact. energy: -4.864
local terms energy: -784.226156
where:
bonds (distance) C4'-P energy: -141.416
bonds (distance) P-C4' energy: -150.380
flat angles C4'-P-C4' energy: -160.976
flat angles P-C4'-P energy: -106.492
tors. eta vs tors. theta energy: -224.961
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: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2397.713368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.713368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.713368 (E_RNA)
where:
Base-Base interactions energy: -1658.612
where: short stacking energy: -700.896
Base-Backbone interact. energy: -3.225
local terms energy: -735.876570
where:
bonds (distance) C4'-P energy: -114.867
bonds (distance) P-C4' energy: -126.145
flat angles C4'-P-C4' energy: -166.387
flat angles P-C4'-P energy: -111.473
tors. eta vs tors. theta energy: -217.005
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: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2234.535474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.535474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.535474 (E_RNA)
where:
Base-Base interactions energy: -1529.440
where: short stacking energy: -636.335
Base-Backbone interact. energy: -2.153
local terms energy: -702.943158
where:
bonds (distance) C4'-P energy: -125.427
bonds (distance) P-C4' energy: -131.674
flat angles C4'-P-C4' energy: -142.044
flat angles P-C4'-P energy: -109.666
tors. eta vs tors. theta energy: -194.132
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: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2135.560314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.560314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.560314 (E_RNA)
where:
Base-Base interactions energy: -1512.441
where: short stacking energy: -638.042
Base-Backbone interact. energy: -2.950
local terms energy: -620.169145
where:
bonds (distance) C4'-P energy: -116.864
bonds (distance) P-C4' energy: -117.150
flat angles C4'-P-C4' energy: -148.003
flat angles P-C4'-P energy: -74.652
tors. eta vs tors. theta energy: -163.500
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: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1824.567398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.567398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.567398 (E_RNA)
where:
Base-Base interactions energy: -1206.857
where: short stacking energy: -558.784
Base-Backbone interact. energy: -4.238
local terms energy: -613.473345
where:
bonds (distance) C4'-P energy: -109.297
bonds (distance) P-C4' energy: -131.879
flat angles C4'-P-C4' energy: -146.539
flat angles P-C4'-P energy: -82.052
tors. eta vs tors. theta energy: -143.706
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: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1398.989900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.989900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.989900 (E_RNA)
where:
Base-Base interactions energy: -918.022
where: short stacking energy: -414.181
Base-Backbone interact. energy: 4.151
local terms energy: -485.118206
where:
bonds (distance) C4'-P energy: -121.470
bonds (distance) P-C4' energy: -119.169
flat angles C4'-P-C4' energy: -98.833
flat angles P-C4'-P energy: -61.190
tors. eta vs tors. theta energy: -84.457
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: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -859.816475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.816475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.816475 (E_RNA)
where:
Base-Base interactions energy: -443.320
where: short stacking energy: -277.111
Base-Backbone interact. energy: 1.418
local terms energy: -417.914417
where:
bonds (distance) C4'-P energy: -110.665
bonds (distance) P-C4' energy: -112.199
flat angles C4'-P-C4' energy: -100.673
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -44.448
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: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -769.541966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.541966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.541966 (E_RNA)
where:
Base-Base interactions energy: -378.056
where: short stacking energy: -197.146
Base-Backbone interact. energy: -1.325
local terms energy: -390.161097
where:
bonds (distance) C4'-P energy: -117.669
bonds (distance) P-C4' energy: -130.951
flat angles C4'-P-C4' energy: -96.714
flat angles P-C4'-P energy: -60.199
tors. eta vs tors. theta energy: 15.371
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: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2623.820694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.820694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.820694 (E_RNA)
where:
Base-Base interactions energy: -1811.444
where: short stacking energy: -784.597
Base-Backbone interact. energy: -4.756
local terms energy: -807.621419
where:
bonds (distance) C4'-P energy: -146.639
bonds (distance) P-C4' energy: -146.783
flat angles C4'-P-C4' energy: -169.569
flat angles P-C4'-P energy: -115.741
tors. eta vs tors. theta energy: -228.889
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: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2631.317045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.317045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.317045 (E_RNA)
where:
Base-Base interactions energy: -1866.386
where: short stacking energy: -763.576
Base-Backbone interact. energy: 3.282
local terms energy: -768.212757
where:
bonds (distance) C4'-P energy: -128.031
bonds (distance) P-C4' energy: -155.836
flat angles C4'-P-C4' energy: -165.617
flat angles P-C4'-P energy: -102.093
tors. eta vs tors. theta energy: -216.636
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: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2493.632286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.632286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.632286 (E_RNA)
where:
Base-Base interactions energy: -1707.349
where: short stacking energy: -741.807
Base-Backbone interact. energy: -5.012
local terms energy: -781.271349
where:
bonds (distance) C4'-P energy: -139.311
bonds (distance) P-C4' energy: -135.593
flat angles C4'-P-C4' energy: -167.913
flat angles P-C4'-P energy: -108.395
tors. eta vs tors. theta energy: -230.060
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: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2370.084330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.084330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.084330 (E_RNA)
where:
Base-Base interactions energy: -1636.023
where: short stacking energy: -705.560
Base-Backbone interact. energy: 0.587
local terms energy: -734.647855
where:
bonds (distance) C4'-P energy: -137.166
bonds (distance) P-C4' energy: -127.388
flat angles C4'-P-C4' energy: -158.156
flat angles P-C4'-P energy: -101.089
tors. eta vs tors. theta energy: -210.849
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: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2214.332165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.332165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.332165 (E_RNA)
where:
Base-Base interactions energy: -1534.705
where: short stacking energy: -616.664
Base-Backbone interact. energy: -1.769
local terms energy: -677.858484
where:
bonds (distance) C4'-P energy: -124.170
bonds (distance) P-C4' energy: -128.000
flat angles C4'-P-C4' energy: -138.912
flat angles P-C4'-P energy: -111.399
tors. eta vs tors. theta energy: -175.378
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: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2235.609585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.609585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.609585 (E_RNA)
where:
Base-Base interactions energy: -1544.742
where: short stacking energy: -635.021
Base-Backbone interact. energy: 0.659
local terms energy: -691.526105
where:
bonds (distance) C4'-P energy: -127.830
bonds (distance) P-C4' energy: -135.553
flat angles C4'-P-C4' energy: -153.204
flat angles P-C4'-P energy: -92.214
tors. eta vs tors. theta energy: -182.725
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1773.903314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.903314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.903314 (E_RNA)
where:
Base-Base interactions energy: -1172.474
where: short stacking energy: -522.742
Base-Backbone interact. energy: -3.217
local terms energy: -598.212275
where:
bonds (distance) C4'-P energy: -136.415
bonds (distance) P-C4' energy: -117.664
flat angles C4'-P-C4' energy: -119.958
flat angles P-C4'-P energy: -79.478
tors. eta vs tors. theta energy: -144.697
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: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1468.316180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.316180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.316180 (E_RNA)
where:
Base-Base interactions energy: -966.840
where: short stacking energy: -412.250
Base-Backbone interact. energy: 4.292
local terms energy: -505.768785
where:
bonds (distance) C4'-P energy: -123.752
bonds (distance) P-C4' energy: -112.372
flat angles C4'-P-C4' energy: -115.344
flat angles P-C4'-P energy: -69.770
tors. eta vs tors. theta energy: -84.530
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: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -882.554355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.554355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.554355 (E_RNA)
where:
Base-Base interactions energy: -450.051
where: short stacking energy: -259.345
Base-Backbone interact. energy: 3.372
local terms energy: -435.875680
where:
bonds (distance) C4'-P energy: -135.688
bonds (distance) P-C4' energy: -130.856
flat angles C4'-P-C4' energy: -112.999
flat angles P-C4'-P energy: -56.672
tors. eta vs tors. theta energy: 0.339
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: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -815.233422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.233422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.233422 (E_RNA)
where:
Base-Base interactions energy: -413.636
where: short stacking energy: -244.496
Base-Backbone interact. energy: -3.985
local terms energy: -397.612610
where:
bonds (distance) C4'-P energy: -116.156
bonds (distance) P-C4' energy: -114.630
flat angles C4'-P-C4' energy: -98.741
flat angles P-C4'-P energy: -65.597
tors. eta vs tors. theta energy: -2.488
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: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2642.485138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.485138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.485138 (E_RNA)
where:
Base-Base interactions energy: -1881.817
where: short stacking energy: -785.054
Base-Backbone interact. energy: -1.542
local terms energy: -759.125432
where:
bonds (distance) C4'-P energy: -132.901
bonds (distance) P-C4' energy: -135.663
flat angles C4'-P-C4' energy: -173.077
flat angles P-C4'-P energy: -102.061
tors. eta vs tors. theta energy: -215.424
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: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2541.851664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.851664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.851664 (E_RNA)
where:
Base-Base interactions energy: -1732.130
where: short stacking energy: -748.455
Base-Backbone interact. energy: -3.958
local terms energy: -805.763976
where:
bonds (distance) C4'-P energy: -147.088
bonds (distance) P-C4' energy: -159.681
flat angles C4'-P-C4' energy: -158.694
flat angles P-C4'-P energy: -109.405
tors. eta vs tors. theta energy: -230.896
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: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2513.452180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.452180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.452180 (E_RNA)
where:
Base-Base interactions energy: -1713.463
where: short stacking energy: -728.017
Base-Backbone interact. energy: -3.730
local terms energy: -796.259297
where:
bonds (distance) C4'-P energy: -143.393
bonds (distance) P-C4' energy: -152.307
flat angles C4'-P-C4' energy: -161.235
flat angles P-C4'-P energy: -109.730
tors. eta vs tors. theta energy: -229.594
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: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2366.665769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.665769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.665769 (E_RNA)
where:
Base-Base interactions energy: -1630.701
where: short stacking energy: -693.561
Base-Backbone interact. energy: -1.655
local terms energy: -734.309631
where:
bonds (distance) C4'-P energy: -121.826
bonds (distance) P-C4' energy: -137.272
flat angles C4'-P-C4' energy: -158.634
flat angles P-C4'-P energy: -111.314
tors. eta vs tors. theta energy: -205.264
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: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2228.211178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.211178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.211178 (E_RNA)
where:
Base-Base interactions energy: -1546.728
where: short stacking energy: -653.509
Base-Backbone interact. energy: -0.632
local terms energy: -680.850995
where:
bonds (distance) C4'-P energy: -123.827
bonds (distance) P-C4' energy: -128.582
flat angles C4'-P-C4' energy: -151.448
flat angles P-C4'-P energy: -100.651
tors. eta vs tors. theta energy: -176.343
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: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2167.316569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.316569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.316569 (E_RNA)
where:
Base-Base interactions energy: -1503.498
where: short stacking energy: -655.327
Base-Backbone interact. energy: -1.048
local terms energy: -662.770868
where:
bonds (distance) C4'-P energy: -124.145
bonds (distance) P-C4' energy: -120.224
flat angles C4'-P-C4' energy: -145.432
flat angles P-C4'-P energy: -91.006
tors. eta vs tors. theta energy: -181.964
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: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1730.292546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.292546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.292546 (E_RNA)
where:
Base-Base interactions energy: -1116.123
where: short stacking energy: -524.395
Base-Backbone interact. energy: 1.990
local terms energy: -616.158939
where:
bonds (distance) C4'-P energy: -138.215
bonds (distance) P-C4' energy: -127.465
flat angles C4'-P-C4' energy: -148.361
flat angles P-C4'-P energy: -75.987
tors. eta vs tors. theta energy: -126.131
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: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1523.130348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.130348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.130348 (E_RNA)
where:
Base-Base interactions energy: -983.790
where: short stacking energy: -450.978
Base-Backbone interact. energy: -2.226
local terms energy: -537.115047
where:
bonds (distance) C4'-P energy: -108.599
bonds (distance) P-C4' energy: -124.306
flat angles C4'-P-C4' energy: -136.603
flat angles P-C4'-P energy: -73.818
tors. eta vs tors. theta energy: -93.789
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: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -849.190539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.190539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.190539 (E_RNA)
where:
Base-Base interactions energy: -415.012
where: short stacking energy: -231.728
Base-Backbone interact. energy: 3.043
local terms energy: -437.221446
where:
bonds (distance) C4'-P energy: -120.521
bonds (distance) P-C4' energy: -135.222
flat angles C4'-P-C4' energy: -95.695
flat angles P-C4'-P energy: -76.926
tors. eta vs tors. theta energy: -8.858
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: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -789.227803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.227803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.227803 (E_RNA)
where:
Base-Base interactions energy: -416.980
where: short stacking energy: -246.337
Base-Backbone interact. energy: 2.514
local terms energy: -374.761903
where:
bonds (distance) C4'-P energy: -119.979
bonds (distance) P-C4' energy: -111.286
flat angles C4'-P-C4' energy: -95.468
flat angles P-C4'-P energy: -51.265
tors. eta vs tors. theta energy: 3.236
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: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2664.075551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.075551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.075551 (E_RNA)
where:
Base-Base interactions energy: -1868.234
where: short stacking energy: -768.484
Base-Backbone interact. energy: -2.776
local terms energy: -793.065332
where:
bonds (distance) C4'-P energy: -134.638
bonds (distance) P-C4' energy: -156.603
flat angles C4'-P-C4' energy: -169.013
flat angles P-C4'-P energy: -112.827
tors. eta vs tors. theta energy: -219.984
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: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2577.888860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.888860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.888860 (E_RNA)
where:
Base-Base interactions energy: -1792.507
where: short stacking energy: -793.133
Base-Backbone interact. energy: -3.788
local terms energy: -781.594028
where:
bonds (distance) C4'-P energy: -125.283
bonds (distance) P-C4' energy: -125.623
flat angles C4'-P-C4' energy: -167.155
flat angles P-C4'-P energy: -123.538
tors. eta vs tors. theta energy: -239.995
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: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2490.502237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.502237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.502237 (E_RNA)
where:
Base-Base interactions energy: -1735.669
where: short stacking energy: -724.096
Base-Backbone interact. energy: -2.844
local terms energy: -751.989882
where:
bonds (distance) C4'-P energy: -122.065
bonds (distance) P-C4' energy: -135.551
flat angles C4'-P-C4' energy: -153.557
flat angles P-C4'-P energy: -113.177
tors. eta vs tors. theta energy: -227.639
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: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2419.519708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.519708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.519708 (E_RNA)
where:
Base-Base interactions energy: -1704.416
where: short stacking energy: -749.527
Base-Backbone interact. energy: -1.513
local terms energy: -713.591148
where:
bonds (distance) C4'-P energy: -111.295
bonds (distance) P-C4' energy: -140.008
flat angles C4'-P-C4' energy: -147.308
flat angles P-C4'-P energy: -95.225
tors. eta vs tors. theta energy: -219.756
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: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2268.077508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.077508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.077508 (E_RNA)
where:
Base-Base interactions energy: -1566.574
where: short stacking energy: -663.633
Base-Backbone interact. energy: -3.554
local terms energy: -697.949647
where:
bonds (distance) C4'-P energy: -120.014
bonds (distance) P-C4' energy: -119.987
flat angles C4'-P-C4' energy: -158.542
flat angles P-C4'-P energy: -100.790
tors. eta vs tors. theta energy: -198.616
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: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2145.873708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.873708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.873708 (E_RNA)
where:
Base-Base interactions energy: -1489.181
where: short stacking energy: -633.053
Base-Backbone interact. energy: -0.233
local terms energy: -656.460163
where:
bonds (distance) C4'-P energy: -122.005
bonds (distance) P-C4' energy: -132.041
flat angles C4'-P-C4' energy: -143.796
flat angles P-C4'-P energy: -75.285
tors. eta vs tors. theta energy: -183.333
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: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1695.963260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.963260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.963260 (E_RNA)
where:
Base-Base interactions energy: -1116.005
where: short stacking energy: -485.427
Base-Backbone interact. energy: -2.066
local terms energy: -577.892242
where:
bonds (distance) C4'-P energy: -127.998
bonds (distance) P-C4' energy: -120.045
flat angles C4'-P-C4' energy: -133.369
flat angles P-C4'-P energy: -79.417
tors. eta vs tors. theta energy: -117.064
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: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1523.879975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.879975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.879975 (E_RNA)
where:
Base-Base interactions energy: -973.676
where: short stacking energy: -466.334
Base-Backbone interact. energy: -0.573
local terms energy: -549.630508
where:
bonds (distance) C4'-P energy: -116.020
bonds (distance) P-C4' energy: -122.987
flat angles C4'-P-C4' energy: -129.371
flat angles P-C4'-P energy: -67.111
tors. eta vs tors. theta energy: -114.141
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: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -920.044856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.044856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.044856 (E_RNA)
where:
Base-Base interactions energy: -459.832
where: short stacking energy: -278.645
Base-Backbone interact. energy: -1.022
local terms energy: -459.191158
where:
bonds (distance) C4'-P energy: -123.954
bonds (distance) P-C4' energy: -133.706
flat angles C4'-P-C4' energy: -113.754
flat angles P-C4'-P energy: -68.195
tors. eta vs tors. theta energy: -19.582
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: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -785.233574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.233574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.233574 (E_RNA)
where:
Base-Base interactions energy: -402.432
where: short stacking energy: -217.046
Base-Backbone interact. energy: -1.647
local terms energy: -381.154494
where:
bonds (distance) C4'-P energy: -104.414
bonds (distance) P-C4' energy: -99.168
flat angles C4'-P-C4' energy: -110.143
flat angles P-C4'-P energy: -70.676
tors. eta vs tors. theta energy: 3.246
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: 420
Temperature: 0.900000
Total energy: -2662.281714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.281714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.281714 (E_RNA)
where:
Base-Base interactions energy: -1865.639
where: short stacking energy: -765.663
Base-Backbone interact. energy: -5.338
local terms energy: -791.304919
where:
bonds (distance) C4'-P energy: -131.738
bonds (distance) P-C4' energy: -159.993
flat angles C4'-P-C4' energy: -161.146
flat angles P-C4'-P energy: -115.719
tors. eta vs tors. theta energy: -222.709
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: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2590.696495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.696495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.696495 (E_RNA)
where:
Base-Base interactions energy: -1776.998
where: short stacking energy: -785.109
Base-Backbone interact. energy: -1.603
local terms energy: -812.095736
where:
bonds (distance) C4'-P energy: -152.674
bonds (distance) P-C4' energy: -142.895
flat angles C4'-P-C4' energy: -164.751
flat angles P-C4'-P energy: -119.062
tors. eta vs tors. theta energy: -232.713
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: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2475.245038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.245038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.245038 (E_RNA)
where:
Base-Base interactions energy: -1703.056
where: short stacking energy: -748.480
Base-Backbone interact. energy: -1.855
local terms energy: -770.334397
where:
bonds (distance) C4'-P energy: -129.522
bonds (distance) P-C4' energy: -142.560
flat angles C4'-P-C4' energy: -165.152
flat angles P-C4'-P energy: -108.499
tors. eta vs tors. theta energy: -224.603
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: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2412.428970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.428970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.428970 (E_RNA)
where:
Base-Base interactions energy: -1674.961
where: short stacking energy: -728.746
Base-Backbone interact. energy: -4.324
local terms energy: -733.143558
where:
bonds (distance) C4'-P energy: -137.472
bonds (distance) P-C4' energy: -128.303
flat angles C4'-P-C4' energy: -155.113
flat angles P-C4'-P energy: -98.745
tors. eta vs tors. theta energy: -213.510
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: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2261.047893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.047893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.047893 (E_RNA)
where:
Base-Base interactions energy: -1526.636
where: short stacking energy: -630.243
Base-Backbone interact. energy: -2.418
local terms energy: -731.994026
where:
bonds (distance) C4'-P energy: -137.651
bonds (distance) P-C4' energy: -140.199
flat angles C4'-P-C4' energy: -165.966
flat angles P-C4'-P energy: -102.129
tors. eta vs tors. theta energy: -186.048
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: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2160.788700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.788700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.788700 (E_RNA)
where:
Base-Base interactions energy: -1477.847
where: short stacking energy: -650.091
Base-Backbone interact. energy: -0.512
local terms energy: -682.429877
where:
bonds (distance) C4'-P energy: -130.523
bonds (distance) P-C4' energy: -129.727
flat angles C4'-P-C4' energy: -143.064
flat angles P-C4'-P energy: -91.323
tors. eta vs tors. theta energy: -187.793
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: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1682.430208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.430208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.430208 (E_RNA)
where:
Base-Base interactions energy: -1086.696
where: short stacking energy: -512.046
Base-Backbone interact. energy: -2.303
local terms energy: -593.430859
where:
bonds (distance) C4'-P energy: -123.065
bonds (distance) P-C4' energy: -130.396
flat angles C4'-P-C4' energy: -140.379
flat angles P-C4'-P energy: -72.635
tors. eta vs tors. theta energy: -126.956
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: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1552.400616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.400616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.400616 (E_RNA)
where:
Base-Base interactions energy: -987.797
where: short stacking energy: -452.764
Base-Backbone interact. energy: -1.131
local terms energy: -563.472868
where:
bonds (distance) C4'-P energy: -119.699
bonds (distance) P-C4' energy: -123.305
flat angles C4'-P-C4' energy: -134.686
flat angles P-C4'-P energy: -84.884
tors. eta vs tors. theta energy: -100.900
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: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -956.245313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.245313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.245313 (E_RNA)
where:
Base-Base interactions energy: -565.809
where: short stacking energy: -313.425
Base-Backbone interact. energy: 4.310
local terms energy: -394.745894
where:
bonds (distance) C4'-P energy: -116.203
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -99.800
flat angles P-C4'-P energy: -47.836
tors. eta vs tors. theta energy: -33.390
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: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -800.107449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.107449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.107449 (E_RNA)
where:
Base-Base interactions energy: -390.808
where: short stacking energy: -224.320
Base-Backbone interact. energy: 0.401
local terms energy: -409.700625
where:
bonds (distance) C4'-P energy: -119.763
bonds (distance) P-C4' energy: -100.732
flat angles C4'-P-C4' energy: -133.530
flat angles P-C4'-P energy: -64.631
tors. eta vs tors. theta energy: 8.955
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: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2649.350261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.350261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.350261 (E_RNA)
where:
Base-Base interactions energy: -1868.030
where: short stacking energy: -782.697
Base-Backbone interact. energy: -0.916
local terms energy: -780.404539
where:
bonds (distance) C4'-P energy: -128.011
bonds (distance) P-C4' energy: -144.408
flat angles C4'-P-C4' energy: -175.668
flat angles P-C4'-P energy: -109.705
tors. eta vs tors. theta energy: -222.612
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: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2568.633400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.633400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.633400 (E_RNA)
where:
Base-Base interactions energy: -1753.660
where: short stacking energy: -795.680
Base-Backbone interact. energy: 0.661
local terms energy: -815.634042
where:
bonds (distance) C4'-P energy: -157.078
bonds (distance) P-C4' energy: -142.375
flat angles C4'-P-C4' energy: -170.849
flat angles P-C4'-P energy: -107.070
tors. eta vs tors. theta energy: -238.262
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: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2464.498765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.498765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.498765 (E_RNA)
where:
Base-Base interactions energy: -1706.259
where: short stacking energy: -746.626
Base-Backbone interact. energy: 0.119
local terms energy: -758.359385
where:
bonds (distance) C4'-P energy: -132.620
bonds (distance) P-C4' energy: -137.929
flat angles C4'-P-C4' energy: -148.887
flat angles P-C4'-P energy: -114.153
tors. eta vs tors. theta energy: -224.770
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: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2420.164309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.164309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.164309 (E_RNA)
where:
Base-Base interactions energy: -1659.446
where: short stacking energy: -705.152
Base-Backbone interact. energy: -4.835
local terms energy: -755.882700
where:
bonds (distance) C4'-P energy: -127.302
bonds (distance) P-C4' energy: -152.512
flat angles C4'-P-C4' energy: -166.618
flat angles P-C4'-P energy: -93.927
tors. eta vs tors. theta energy: -215.524
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: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2206.200109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.200109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.200109 (E_RNA)
where:
Base-Base interactions energy: -1517.153
where: short stacking energy: -652.789
Base-Backbone interact. energy: -1.532
local terms energy: -687.515139
where:
bonds (distance) C4'-P energy: -126.016
bonds (distance) P-C4' energy: -139.948
flat angles C4'-P-C4' energy: -149.125
flat angles P-C4'-P energy: -90.569
tors. eta vs tors. theta energy: -181.858
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: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2133.505086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.505086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.505086 (E_RNA)
where:
Base-Base interactions energy: -1484.441
where: short stacking energy: -619.918
Base-Backbone interact. energy: -0.726
local terms energy: -648.338416
where:
bonds (distance) C4'-P energy: -113.988
bonds (distance) P-C4' energy: -114.843
flat angles C4'-P-C4' energy: -156.527
flat angles P-C4'-P energy: -85.707
tors. eta vs tors. theta energy: -177.274
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: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1626.368324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.368324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.368324 (E_RNA)
where:
Base-Base interactions energy: -1080.313
where: short stacking energy: -479.046
Base-Backbone interact. energy: 2.361
local terms energy: -548.416572
where:
bonds (distance) C4'-P energy: -127.291
bonds (distance) P-C4' energy: -120.789
flat angles C4'-P-C4' energy: -123.075
flat angles P-C4'-P energy: -75.364
tors. eta vs tors. theta energy: -101.898
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: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1529.574246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.574246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.574246 (E_RNA)
where:
Base-Base interactions energy: -979.099
where: short stacking energy: -448.093
Base-Backbone interact. energy: 7.577
local terms energy: -558.052537
where:
bonds (distance) C4'-P energy: -118.173
bonds (distance) P-C4' energy: -126.414
flat angles C4'-P-C4' energy: -130.334
flat angles P-C4'-P energy: -74.352
tors. eta vs tors. theta energy: -108.780
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: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -939.339132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.339132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.339132 (E_RNA)
where:
Base-Base interactions energy: -495.214
where: short stacking energy: -267.853
Base-Backbone interact. energy: 3.748
local terms energy: -447.872951
where:
bonds (distance) C4'-P energy: -129.999
bonds (distance) P-C4' energy: -127.709
flat angles C4'-P-C4' energy: -109.501
flat angles P-C4'-P energy: -73.941
tors. eta vs tors. theta energy: -6.723
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: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -770.099471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.099471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.099471 (E_RNA)
where:
Base-Base interactions energy: -389.606
where: short stacking energy: -235.666
Base-Backbone interact. energy: 0.559
local terms energy: -381.053189
where:
bonds (distance) C4'-P energy: -118.066
bonds (distance) P-C4' energy: -92.957
flat angles C4'-P-C4' energy: -106.356
flat angles P-C4'-P energy: -60.775
tors. eta vs tors. theta energy: -2.899
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: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2653.922391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.922391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.922391 (E_RNA)
where:
Base-Base interactions energy: -1851.157
where: short stacking energy: -763.963
Base-Backbone interact. energy: -3.262
local terms energy: -799.502800
where:
bonds (distance) C4'-P energy: -152.756
bonds (distance) P-C4' energy: -150.353
flat angles C4'-P-C4' energy: -167.523
flat angles P-C4'-P energy: -104.973
tors. eta vs tors. theta energy: -223.897
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: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2574.302476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.302476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.302476 (E_RNA)
where:
Base-Base interactions energy: -1770.373
where: short stacking energy: -777.592
Base-Backbone interact. energy: -1.786
local terms energy: -802.144063
where:
bonds (distance) C4'-P energy: -136.376
bonds (distance) P-C4' energy: -140.058
flat angles C4'-P-C4' energy: -167.063
flat angles P-C4'-P energy: -114.486
tors. eta vs tors. theta energy: -244.160
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: 422
Temperature: 1.000000
Total energy: -2472.923253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.923253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.923253 (E_RNA)
where:
Base-Base interactions energy: -1710.282
where: short stacking energy: -733.057
Base-Backbone interact. energy: -4.523
local terms energy: -758.118787
where:
bonds (distance) C4'-P energy: -137.302
bonds (distance) P-C4' energy: -126.858
flat angles C4'-P-C4' energy: -162.751
flat angles P-C4'-P energy: -111.470
tors. eta vs tors. theta energy: -219.738
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: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2414.049110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.049110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.049110 (E_RNA)
where:
Base-Base interactions energy: -1670.307
where: short stacking energy: -747.349
Base-Backbone interact. energy: -0.174
local terms energy: -743.567653
where:
bonds (distance) C4'-P energy: -138.115
bonds (distance) P-C4' energy: -131.002
flat angles C4'-P-C4' energy: -145.284
flat angles P-C4'-P energy: -104.243
tors. eta vs tors. theta energy: -224.924
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: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2153.341165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.341165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.341165 (E_RNA)
where:
Base-Base interactions energy: -1475.356
where: short stacking energy: -610.163
Base-Backbone interact. energy: 0.220
local terms energy: -678.204460
where:
bonds (distance) C4'-P energy: -118.392
bonds (distance) P-C4' energy: -126.748
flat angles C4'-P-C4' energy: -148.611
flat angles P-C4'-P energy: -103.816
tors. eta vs tors. theta energy: -180.638
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: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2149.197743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.197743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.197743 (E_RNA)
where:
Base-Base interactions energy: -1495.399
where: short stacking energy: -638.859
Base-Backbone interact. energy: -2.300
local terms energy: -651.498238
where:
bonds (distance) C4'-P energy: -140.666
bonds (distance) P-C4' energy: -132.196
flat angles C4'-P-C4' energy: -126.957
flat angles P-C4'-P energy: -68.455
tors. eta vs tors. theta energy: -183.224
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: 422
Temperature: 1.200000
Total energy: -1590.506393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.506393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.506393 (E_RNA)
where:
Base-Base interactions energy: -1046.186
where: short stacking energy: -470.920
Base-Backbone interact. energy: 2.375
local terms energy: -546.695141
where:
bonds (distance) C4'-P energy: -104.531
bonds (distance) P-C4' energy: -145.464
flat angles C4'-P-C4' energy: -129.159
flat angles P-C4'-P energy: -63.390
tors. eta vs tors. theta energy: -104.151
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: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1487.941388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.941388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.941388 (E_RNA)
where:
Base-Base interactions energy: -911.502
where: short stacking energy: -402.488
Base-Backbone interact. energy: 0.254
local terms energy: -576.692558
where:
bonds (distance) C4'-P energy: -114.741
bonds (distance) P-C4' energy: -137.165
flat angles C4'-P-C4' energy: -144.094
flat angles P-C4'-P energy: -80.304
tors. eta vs tors. theta energy: -100.389
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: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -971.173088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.173088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.173088 (E_RNA)
where:
Base-Base interactions energy: -558.960
where: short stacking energy: -315.318
Base-Backbone interact. energy: 3.944
local terms energy: -416.157352
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -112.748
flat angles C4'-P-C4' energy: -114.108
flat angles P-C4'-P energy: -58.705
tors. eta vs tors. theta energy: -32.610
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: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -855.225418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.225418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.225418 (E_RNA)
where:
Base-Base interactions energy: -452.071
where: short stacking energy: -252.228
Base-Backbone interact. energy: -1.241
local terms energy: -401.913277
where:
bonds (distance) C4'-P energy: -128.770
bonds (distance) P-C4' energy: -104.559
flat angles C4'-P-C4' energy: -96.140
flat angles P-C4'-P energy: -63.138
tors. eta vs tors. theta energy: -9.305
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: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2620.902433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.902433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.902433 (E_RNA)
where:
Base-Base interactions energy: -1836.252
where: short stacking energy: -747.295
Base-Backbone interact. energy: -3.851
local terms energy: -780.798720
where:
bonds (distance) C4'-P energy: -141.027
bonds (distance) P-C4' energy: -145.905
flat angles C4'-P-C4' energy: -168.189
flat angles P-C4'-P energy: -109.432
tors. eta vs tors. theta energy: -216.245
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: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2572.529953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.529953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.529953 (E_RNA)
where:
Base-Base interactions energy: -1760.028
where: short stacking energy: -768.411
Base-Backbone interact. energy: -1.072
local terms energy: -811.430536
where:
bonds (distance) C4'-P energy: -139.679
bonds (distance) P-C4' energy: -152.567
flat angles C4'-P-C4' energy: -162.183
flat angles P-C4'-P energy: -117.795
tors. eta vs tors. theta energy: -239.207
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: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2513.114220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.114220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.114220 (E_RNA)
where:
Base-Base interactions energy: -1733.826
where: short stacking energy: -736.032
Base-Backbone interact. energy: -1.677
local terms energy: -777.611444
where:
bonds (distance) C4'-P energy: -144.663
bonds (distance) P-C4' energy: -141.249
flat angles C4'-P-C4' energy: -159.158
flat angles P-C4'-P energy: -107.456
tors. eta vs tors. theta energy: -225.086
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: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2380.108522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.108522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.108522 (E_RNA)
where:
Base-Base interactions energy: -1646.177
where: short stacking energy: -714.541
Base-Backbone interact. energy: -2.316
local terms energy: -731.615581
where:
bonds (distance) C4'-P energy: -119.841
bonds (distance) P-C4' energy: -130.071
flat angles C4'-P-C4' energy: -163.728
flat angles P-C4'-P energy: -96.888
tors. eta vs tors. theta energy: -221.088
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: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2176.218792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.218792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.218792 (E_RNA)
where:
Base-Base interactions energy: -1507.147
where: short stacking energy: -637.896
Base-Backbone interact. energy: -2.137
local terms energy: -666.934607
where:
bonds (distance) C4'-P energy: -124.499
bonds (distance) P-C4' energy: -136.986
flat angles C4'-P-C4' energy: -150.857
flat angles P-C4'-P energy: -82.409
tors. eta vs tors. theta energy: -172.183
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: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2217.999534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.999534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.999534 (E_RNA)
where:
Base-Base interactions energy: -1498.768
where: short stacking energy: -636.151
Base-Backbone interact. energy: 2.815
local terms energy: -722.046903
where:
bonds (distance) C4'-P energy: -138.446
bonds (distance) P-C4' energy: -135.017
flat angles C4'-P-C4' energy: -157.694
flat angles P-C4'-P energy: -106.273
tors. eta vs tors. theta energy: -184.616
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: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1627.049234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.049234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.049234 (E_RNA)
where:
Base-Base interactions energy: -1035.512
where: short stacking energy: -476.875
Base-Backbone interact. energy: 0.435
local terms energy: -591.972831
where:
bonds (distance) C4'-P energy: -115.423
bonds (distance) P-C4' energy: -130.600
flat angles C4'-P-C4' energy: -131.568
flat angles P-C4'-P energy: -86.654
tors. eta vs tors. theta energy: -127.727
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: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1482.036053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.036053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.036053 (E_RNA)
where:
Base-Base interactions energy: -953.807
where: short stacking energy: -415.394
Base-Backbone interact. energy: 0.103
local terms energy: -528.331367
where:
bonds (distance) C4'-P energy: -120.495
bonds (distance) P-C4' energy: -111.170
flat angles C4'-P-C4' energy: -124.746
flat angles P-C4'-P energy: -78.386
tors. eta vs tors. theta energy: -93.535
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: 423
Temperature: 1.300000
Total energy: -902.121862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.121862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.121862 (E_RNA)
where:
Base-Base interactions energy: -461.912
where: short stacking energy: -261.323
Base-Backbone interact. energy: -0.322
local terms energy: -439.887972
where:
bonds (distance) C4'-P energy: -109.439
bonds (distance) P-C4' energy: -121.097
flat angles C4'-P-C4' energy: -101.296
flat angles P-C4'-P energy: -85.862
tors. eta vs tors. theta energy: -22.193
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: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -903.718260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.718260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.718260 (E_RNA)
where:
Base-Base interactions energy: -500.844
where: short stacking energy: -271.379
Base-Backbone interact. energy: -1.680
local terms energy: -401.194935
where:
bonds (distance) C4'-P energy: -110.163
bonds (distance) P-C4' energy: -113.513
flat angles C4'-P-C4' energy: -97.589
flat angles P-C4'-P energy: -66.040
tors. eta vs tors. theta energy: -13.889
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: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2642.985152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.985152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.985152 (E_RNA)
where:
Base-Base interactions energy: -1821.780
where: short stacking energy: -813.567
Base-Backbone interact. energy: -1.101
local terms energy: -820.104576
where:
bonds (distance) C4'-P energy: -138.114
bonds (distance) P-C4' energy: -141.854
flat angles C4'-P-C4' energy: -169.494
flat angles P-C4'-P energy: -118.707
tors. eta vs tors. theta energy: -251.936
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: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2628.145749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.145749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.145749 (E_RNA)
where:
Base-Base interactions energy: -1844.713
where: short stacking energy: -740.858
Base-Backbone interact. energy: -2.387
local terms energy: -781.046153
where:
bonds (distance) C4'-P energy: -143.426
bonds (distance) P-C4' energy: -147.500
flat angles C4'-P-C4' energy: -163.890
flat angles P-C4'-P energy: -106.121
tors. eta vs tors. theta energy: -220.109
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: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2485.088763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.088763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.088763 (E_RNA)
where:
Base-Base interactions energy: -1738.770
where: short stacking energy: -741.043
Base-Backbone interact. energy: -3.250
local terms energy: -743.067933
where:
bonds (distance) C4'-P energy: -136.126
bonds (distance) P-C4' energy: -126.721
flat angles C4'-P-C4' energy: -150.731
flat angles P-C4'-P energy: -107.158
tors. eta vs tors. theta energy: -222.332
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: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2373.821852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.821852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.821852 (E_RNA)
where:
Base-Base interactions energy: -1625.246
where: short stacking energy: -692.898
Base-Backbone interact. energy: -4.528
local terms energy: -744.047560
where:
bonds (distance) C4'-P energy: -141.687
bonds (distance) P-C4' energy: -143.205
flat angles C4'-P-C4' energy: -157.024
flat angles P-C4'-P energy: -104.476
tors. eta vs tors. theta energy: -197.656
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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2246.769218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.769218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.769218 (E_RNA)
where:
Base-Base interactions energy: -1538.561
where: short stacking energy: -668.942
Base-Backbone interact. energy: -0.814
local terms energy: -707.394576
where:
bonds (distance) C4'-P energy: -125.612
bonds (distance) P-C4' energy: -141.188
flat angles C4'-P-C4' energy: -151.946
flat angles P-C4'-P energy: -107.303
tors. eta vs tors. theta energy: -181.345
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: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2105.118545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.118545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.118545 (E_RNA)
where:
Base-Base interactions energy: -1480.226
where: short stacking energy: -625.559
Base-Backbone interact. energy: -2.815
local terms energy: -622.077651
where:
bonds (distance) C4'-P energy: -129.089
bonds (distance) P-C4' energy: -100.588
flat angles C4'-P-C4' energy: -144.415
flat angles P-C4'-P energy: -78.967
tors. eta vs tors. theta energy: -169.020
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: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1630.182806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.182806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.182806 (E_RNA)
where:
Base-Base interactions energy: -1070.120
where: short stacking energy: -485.071
Base-Backbone interact. energy: -2.099
local terms energy: -557.963953
where:
bonds (distance) C4'-P energy: -117.535
bonds (distance) P-C4' energy: -119.716
flat angles C4'-P-C4' energy: -129.370
flat angles P-C4'-P energy: -72.721
tors. eta vs tors. theta energy: -118.623
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: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1545.882405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.882405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.882405 (E_RNA)
where:
Base-Base interactions energy: -1018.737
where: short stacking energy: -444.453
Base-Backbone interact. energy: 1.869
local terms energy: -529.014607
where:
bonds (distance) C4'-P energy: -108.386
bonds (distance) P-C4' energy: -115.960
flat angles C4'-P-C4' energy: -136.151
flat angles P-C4'-P energy: -77.288
tors. eta vs tors. theta energy: -91.230
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: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -946.908333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.908333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.908333 (E_RNA)
where:
Base-Base interactions energy: -508.172
where: short stacking energy: -297.747
Base-Backbone interact. energy: -0.866
local terms energy: -437.869814
where:
bonds (distance) C4'-P energy: -112.961
bonds (distance) P-C4' energy: -147.356
flat angles C4'-P-C4' energy: -110.547
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: -26.946
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: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -817.930988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.930988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.930988 (E_RNA)
where:
Base-Base interactions energy: -427.898
where: short stacking energy: -247.085
Base-Backbone interact. energy: 5.303
local terms energy: -395.335837
where:
bonds (distance) C4'-P energy: -110.783
bonds (distance) P-C4' energy: -109.249
flat angles C4'-P-C4' energy: -111.009
flat angles P-C4'-P energy: -60.207
tors. eta vs tors. theta energy: -4.088
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: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2628.021623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.021623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.021623 (E_RNA)
where:
Base-Base interactions energy: -1809.276
where: short stacking energy: -817.327
Base-Backbone interact. energy: -2.959
local terms energy: -815.787205
where:
bonds (distance) C4'-P energy: -153.404
bonds (distance) P-C4' energy: -140.396
flat angles C4'-P-C4' energy: -158.265
flat angles P-C4'-P energy: -110.068
tors. eta vs tors. theta energy: -253.654
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: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2605.260991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.260991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.260991 (E_RNA)
where:
Base-Base interactions energy: -1835.118
where: short stacking energy: -756.945
Base-Backbone interact. energy: -2.618
local terms energy: -767.525346
where:
bonds (distance) C4'-P energy: -133.112
bonds (distance) P-C4' energy: -147.422
flat angles C4'-P-C4' energy: -149.867
flat angles P-C4'-P energy: -114.241
tors. eta vs tors. theta energy: -222.883
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: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2500.431219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.431219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.431219 (E_RNA)
where:
Base-Base interactions energy: -1699.617
where: short stacking energy: -758.471
Base-Backbone interact. energy: -1.635
local terms energy: -799.178637
where:
bonds (distance) C4'-P energy: -139.190
bonds (distance) P-C4' energy: -148.146
flat angles C4'-P-C4' energy: -179.416
flat angles P-C4'-P energy: -108.915
tors. eta vs tors. theta energy: -223.511
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: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2387.025886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.025886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.025886 (E_RNA)
where:
Base-Base interactions energy: -1651.157
where: short stacking energy: -699.872
Base-Backbone interact. energy: 2.538
local terms energy: -738.406677
where:
bonds (distance) C4'-P energy: -135.551
bonds (distance) P-C4' energy: -137.622
flat angles C4'-P-C4' energy: -159.767
flat angles P-C4'-P energy: -100.991
tors. eta vs tors. theta energy: -204.475
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: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2259.645112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.645112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.645112 (E_RNA)
where:
Base-Base interactions energy: -1540.286
where: short stacking energy: -647.410
Base-Backbone interact. energy: -2.972
local terms energy: -716.387306
where:
bonds (distance) C4'-P energy: -133.492
bonds (distance) P-C4' energy: -136.296
flat angles C4'-P-C4' energy: -151.799
flat angles P-C4'-P energy: -99.751
tors. eta vs tors. theta energy: -195.049
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: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2106.137270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.137270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.137270 (E_RNA)
where:
Base-Base interactions energy: -1433.563
where: short stacking energy: -617.493
Base-Backbone interact. energy: -2.924
local terms energy: -669.650215
where:
bonds (distance) C4'-P energy: -119.323
bonds (distance) P-C4' energy: -132.521
flat angles C4'-P-C4' energy: -153.017
flat angles P-C4'-P energy: -84.716
tors. eta vs tors. theta energy: -180.072
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: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1683.659686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.659686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.659686 (E_RNA)
where:
Base-Base interactions energy: -1085.861
where: short stacking energy: -482.499
Base-Backbone interact. energy: -4.173
local terms energy: -593.624954
where:
bonds (distance) C4'-P energy: -112.152
bonds (distance) P-C4' energy: -144.789
flat angles C4'-P-C4' energy: -131.977
flat angles P-C4'-P energy: -91.523
tors. eta vs tors. theta energy: -113.184
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: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1517.548994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.548994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.548994 (E_RNA)
where:
Base-Base interactions energy: -959.847
where: short stacking energy: -427.516
Base-Backbone interact. energy: -0.042
local terms energy: -557.660225
where:
bonds (distance) C4'-P energy: -131.229
bonds (distance) P-C4' energy: -122.065
flat angles C4'-P-C4' energy: -143.796
flat angles P-C4'-P energy: -70.637
tors. eta vs tors. theta energy: -89.933
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: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -899.912636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.912636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.912636 (E_RNA)
where:
Base-Base interactions energy: -493.844
where: short stacking energy: -246.478
Base-Backbone interact. energy: 7.303
local terms energy: -413.371469
where:
bonds (distance) C4'-P energy: -108.703
bonds (distance) P-C4' energy: -107.679
flat angles C4'-P-C4' energy: -115.867
flat angles P-C4'-P energy: -76.107
tors. eta vs tors. theta energy: -5.015
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: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -832.613917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.613917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.613917 (E_RNA)
where:
Base-Base interactions energy: -421.846
where: short stacking energy: -240.392
Base-Backbone interact. energy: -0.366
local terms energy: -410.401756
where:
bonds (distance) C4'-P energy: -111.936
bonds (distance) P-C4' energy: -122.631
flat angles C4'-P-C4' energy: -114.050
flat angles P-C4'-P energy: -71.452
tors. eta vs tors. theta energy: 9.668
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: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2632.295854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.295854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.295854 (E_RNA)
where:
Base-Base interactions energy: -1801.087
where: short stacking energy: -806.663
Base-Backbone interact. energy: -2.657
local terms energy: -828.552051
where:
bonds (distance) C4'-P energy: -143.124
bonds (distance) P-C4' energy: -151.198
flat angles C4'-P-C4' energy: -162.172
flat angles P-C4'-P energy: -121.094
tors. eta vs tors. theta energy: -250.963
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: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2621.104507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.104507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.104507 (E_RNA)
where:
Base-Base interactions energy: -1823.095
where: short stacking energy: -769.516
Base-Backbone interact. energy: -1.067
local terms energy: -796.942665
where:
bonds (distance) C4'-P energy: -143.445
bonds (distance) P-C4' energy: -138.245
flat angles C4'-P-C4' energy: -177.528
flat angles P-C4'-P energy: -115.916
tors. eta vs tors. theta energy: -221.809
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: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2446.462485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.462485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.462485 (E_RNA)
where:
Base-Base interactions energy: -1683.720
where: short stacking energy: -733.578
Base-Backbone interact. energy: -0.535
local terms energy: -762.207550
where:
bonds (distance) C4'-P energy: -134.376
bonds (distance) P-C4' energy: -137.469
flat angles C4'-P-C4' energy: -170.815
flat angles P-C4'-P energy: -104.114
tors. eta vs tors. theta energy: -215.434
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: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2385.171257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.171257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.171257 (E_RNA)
where:
Base-Base interactions energy: -1656.348
where: short stacking energy: -714.440
Base-Backbone interact. energy: -2.741
local terms energy: -726.081803
where:
bonds (distance) C4'-P energy: -130.954
bonds (distance) P-C4' energy: -135.318
flat angles C4'-P-C4' energy: -161.456
flat angles P-C4'-P energy: -86.850
tors. eta vs tors. theta energy: -211.504
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: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2246.008071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.008071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.008071 (E_RNA)
where:
Base-Base interactions energy: -1551.283
where: short stacking energy: -651.695
Base-Backbone interact. energy: -1.408
local terms energy: -693.316692
where:
bonds (distance) C4'-P energy: -109.312
bonds (distance) P-C4' energy: -126.109
flat angles C4'-P-C4' energy: -154.614
flat angles P-C4'-P energy: -107.541
tors. eta vs tors. theta energy: -195.741
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: 426
Temperature: 1.150000
Total energy: -2148.085325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.085325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.085325 (E_RNA)
where:
Base-Base interactions energy: -1502.433
where: short stacking energy: -593.585
Base-Backbone interact. energy: -0.827
local terms energy: -644.825221
where:
bonds (distance) C4'-P energy: -126.243
bonds (distance) P-C4' energy: -124.411
flat angles C4'-P-C4' energy: -143.258
flat angles P-C4'-P energy: -88.268
tors. eta vs tors. theta energy: -162.646
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: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1641.248040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.248040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.248040 (E_RNA)
where:
Base-Base interactions energy: -1081.199
where: short stacking energy: -459.899
Base-Backbone interact. energy: -4.267
local terms energy: -555.782759
where:
bonds (distance) C4'-P energy: -114.369
bonds (distance) P-C4' energy: -127.267
flat angles C4'-P-C4' energy: -118.775
flat angles P-C4'-P energy: -82.586
tors. eta vs tors. theta energy: -112.786
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: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1462.525774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.525774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.525774 (E_RNA)
where:
Base-Base interactions energy: -932.739
where: short stacking energy: -440.336
Base-Backbone interact. energy: -0.724
local terms energy: -529.062689
where:
bonds (distance) C4'-P energy: -108.805
bonds (distance) P-C4' energy: -129.051
flat angles C4'-P-C4' energy: -115.214
flat angles P-C4'-P energy: -68.700
tors. eta vs tors. theta energy: -107.292
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: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -904.473799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.473799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.473799 (E_RNA)
where:
Base-Base interactions energy: -458.365
where: short stacking energy: -275.043
Base-Backbone interact. energy: -1.204
local terms energy: -444.904437
where:
bonds (distance) C4'-P energy: -126.783
bonds (distance) P-C4' energy: -126.450
flat angles C4'-P-C4' energy: -91.092
flat angles P-C4'-P energy: -67.404
tors. eta vs tors. theta energy: -33.176
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: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -875.582422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.582422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.582422 (E_RNA)
where:
Base-Base interactions energy: -496.077
where: short stacking energy: -279.570
Base-Backbone interact. energy: 2.977
local terms energy: -382.481932
where:
bonds (distance) C4'-P energy: -99.837
bonds (distance) P-C4' energy: -113.771
flat angles C4'-P-C4' energy: -93.473
flat angles P-C4'-P energy: -56.611
tors. eta vs tors. theta energy: -18.789
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: 427
Temperature: 0.900000
Total energy: -2617.231244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.231244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.231244 (E_RNA)
where:
Base-Base interactions energy: -1792.491
where: short stacking energy: -799.514
Base-Backbone interact. energy: -3.690
local terms energy: -821.050349
where:
bonds (distance) C4'-P energy: -145.854
bonds (distance) P-C4' energy: -142.225
flat angles C4'-P-C4' energy: -176.657
flat angles P-C4'-P energy: -108.862
tors. eta vs tors. theta energy: -247.453
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: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2603.455024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.455024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.455024 (E_RNA)
where:
Base-Base interactions energy: -1794.054
where: short stacking energy: -732.633
Base-Backbone interact. energy: -1.806
local terms energy: -807.594956
where:
bonds (distance) C4'-P energy: -153.475
bonds (distance) P-C4' energy: -155.631
flat angles C4'-P-C4' energy: -164.357
flat angles P-C4'-P energy: -120.059
tors. eta vs tors. theta energy: -214.073
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: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2479.042087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.042087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.042087 (E_RNA)
where:
Base-Base interactions energy: -1705.966
where: short stacking energy: -716.954
Base-Backbone interact. energy: -4.647
local terms energy: -768.429498
where:
bonds (distance) C4'-P energy: -136.220
bonds (distance) P-C4' energy: -143.548
flat angles C4'-P-C4' energy: -161.877
flat angles P-C4'-P energy: -109.457
tors. eta vs tors. theta energy: -217.327
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: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2373.656435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.656435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.656435 (E_RNA)
where:
Base-Base interactions energy: -1639.101
where: short stacking energy: -719.310
Base-Backbone interact. energy: -2.946
local terms energy: -731.609786
where:
bonds (distance) C4'-P energy: -120.512
bonds (distance) P-C4' energy: -138.457
flat angles C4'-P-C4' energy: -156.413
flat angles P-C4'-P energy: -108.323
tors. eta vs tors. theta energy: -207.905
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: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2272.281707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.281707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.281707 (E_RNA)
where:
Base-Base interactions energy: -1604.196
where: short stacking energy: -694.893
Base-Backbone interact. energy: 1.585
local terms energy: -669.670586
where:
bonds (distance) C4'-P energy: -113.801
bonds (distance) P-C4' energy: -129.665
flat angles C4'-P-C4' energy: -149.374
flat angles P-C4'-P energy: -89.298
tors. eta vs tors. theta energy: -187.531
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: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2206.554160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.554160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.554160 (E_RNA)
where:
Base-Base interactions energy: -1558.714
where: short stacking energy: -633.993
Base-Backbone interact. energy: -3.076
local terms energy: -644.763970
where:
bonds (distance) C4'-P energy: -111.866
bonds (distance) P-C4' energy: -139.736
flat angles C4'-P-C4' energy: -130.772
flat angles P-C4'-P energy: -86.363
tors. eta vs tors. theta energy: -176.027
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: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1727.004688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.004688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.004688 (E_RNA)
where:
Base-Base interactions energy: -1189.043
where: short stacking energy: -515.320
Base-Backbone interact. energy: -2.000
local terms energy: -535.961260
where:
bonds (distance) C4'-P energy: -112.462
bonds (distance) P-C4' energy: -105.417
flat angles C4'-P-C4' energy: -129.962
flat angles P-C4'-P energy: -79.720
tors. eta vs tors. theta energy: -108.400
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: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1403.185287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.185287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.185287 (E_RNA)
where:
Base-Base interactions energy: -888.478
where: short stacking energy: -414.753
Base-Backbone interact. energy: -3.140
local terms energy: -511.567053
where:
bonds (distance) C4'-P energy: -117.858
bonds (distance) P-C4' energy: -121.524
flat angles C4'-P-C4' energy: -121.666
flat angles P-C4'-P energy: -76.541
tors. eta vs tors. theta energy: -73.978
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: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -969.432704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.432704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.432704 (E_RNA)
where:
Base-Base interactions energy: -529.949
where: short stacking energy: -291.913
Base-Backbone interact. energy: -1.274
local terms energy: -438.208931
where:
bonds (distance) C4'-P energy: -104.272
bonds (distance) P-C4' energy: -121.433
flat angles C4'-P-C4' energy: -113.166
flat angles P-C4'-P energy: -78.478
tors. eta vs tors. theta energy: -20.860
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: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -813.166251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.166251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.166251 (E_RNA)
where:
Base-Base interactions energy: -402.462
where: short stacking energy: -223.732
Base-Backbone interact. energy: 1.888
local terms energy: -412.592405
where:
bonds (distance) C4'-P energy: -123.477
bonds (distance) P-C4' energy: -129.707
flat angles C4'-P-C4' energy: -93.392
flat angles P-C4'-P energy: -64.053
tors. eta vs tors. theta energy: -1.964
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: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2622.676492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.676492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.676492 (E_RNA)
where:
Base-Base interactions energy: -1791.234
where: short stacking energy: -793.036
Base-Backbone interact. energy: -2.101
local terms energy: -829.341412
where:
bonds (distance) C4'-P energy: -157.039
bonds (distance) P-C4' energy: -135.082
flat angles C4'-P-C4' energy: -175.865
flat angles P-C4'-P energy: -113.469
tors. eta vs tors. theta energy: -247.887
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: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2597.114733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.114733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.114733 (E_RNA)
where:
Base-Base interactions energy: -1811.672
where: short stacking energy: -751.730
Base-Backbone interact. energy: -1.848
local terms energy: -783.594625
where:
bonds (distance) C4'-P energy: -136.178
bonds (distance) P-C4' energy: -147.155
flat angles C4'-P-C4' energy: -169.513
flat angles P-C4'-P energy: -107.219
tors. eta vs tors. theta energy: -223.530
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: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2472.488227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.488227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.488227 (E_RNA)
where:
Base-Base interactions energy: -1733.565
where: short stacking energy: -743.315
Base-Backbone interact. energy: -2.025
local terms energy: -736.898706
where:
bonds (distance) C4'-P energy: -141.698
bonds (distance) P-C4' energy: -122.075
flat angles C4'-P-C4' energy: -146.360
flat angles P-C4'-P energy: -112.602
tors. eta vs tors. theta energy: -214.163
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2367.847055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.847055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.847055 (E_RNA)
where:
Base-Base interactions energy: -1629.339
where: short stacking energy: -716.565
Base-Backbone interact. energy: -3.547
local terms energy: -734.961074
where:
bonds (distance) C4'-P energy: -132.261
bonds (distance) P-C4' energy: -140.293
flat angles C4'-P-C4' energy: -151.881
flat angles P-C4'-P energy: -101.618
tors. eta vs tors. theta energy: -208.907
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: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2221.581938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.581938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.581938 (E_RNA)
where:
Base-Base interactions energy: -1542.117
where: short stacking energy: -650.010
Base-Backbone interact. energy: -3.261
local terms energy: -676.204416
where:
bonds (distance) C4'-P energy: -120.472
bonds (distance) P-C4' energy: -137.098
flat angles C4'-P-C4' energy: -151.556
flat angles P-C4'-P energy: -88.301
tors. eta vs tors. theta energy: -178.777
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: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2200.095002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.095002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.095002 (E_RNA)
where:
Base-Base interactions energy: -1530.260
where: short stacking energy: -633.954
Base-Backbone interact. energy: -2.100
local terms energy: -667.734877
where:
bonds (distance) C4'-P energy: -112.128
bonds (distance) P-C4' energy: -134.796
flat angles C4'-P-C4' energy: -154.746
flat angles P-C4'-P energy: -86.803
tors. eta vs tors. theta energy: -179.262
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: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1658.495335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.495335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.495335 (E_RNA)
where:
Base-Base interactions energy: -1085.259
where: short stacking energy: -499.459
Base-Backbone interact. energy: 1.558
local terms energy: -574.794396
where:
bonds (distance) C4'-P energy: -123.552
bonds (distance) P-C4' energy: -115.724
flat angles C4'-P-C4' energy: -137.196
flat angles P-C4'-P energy: -91.709
tors. eta vs tors. theta energy: -106.614
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: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1399.520183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.520183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.520183 (E_RNA)
where:
Base-Base interactions energy: -851.797
where: short stacking energy: -440.547
Base-Backbone interact. energy: -1.681
local terms energy: -546.042740
where:
bonds (distance) C4'-P energy: -117.906
bonds (distance) P-C4' energy: -124.840
flat angles C4'-P-C4' energy: -133.680
flat angles P-C4'-P energy: -76.228
tors. eta vs tors. theta energy: -93.389
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: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -911.499827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.499827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.499827 (E_RNA)
where:
Base-Base interactions energy: -453.021
where: short stacking energy: -242.171
Base-Backbone interact. energy: -1.278
local terms energy: -457.201439
where:
bonds (distance) C4'-P energy: -120.406
bonds (distance) P-C4' energy: -142.366
flat angles C4'-P-C4' energy: -117.181
flat angles P-C4'-P energy: -60.934
tors. eta vs tors. theta energy: -16.315
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: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -756.709055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.709055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.709055 (E_RNA)
where:
Base-Base interactions energy: -383.549
where: short stacking energy: -187.086
Base-Backbone interact. energy: 2.955
local terms energy: -376.115335
where:
bonds (distance) C4'-P energy: -115.387
bonds (distance) P-C4' energy: -107.473
flat angles C4'-P-C4' energy: -110.109
flat angles P-C4'-P energy: -53.525
tors. eta vs tors. theta energy: 10.378
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: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2634.239406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.239406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.239406 (E_RNA)
where:
Base-Base interactions energy: -1813.284
where: short stacking energy: -810.063
Base-Backbone interact. energy: 1.264
local terms energy: -822.219837
where:
bonds (distance) C4'-P energy: -145.471
bonds (distance) P-C4' energy: -146.015
flat angles C4'-P-C4' energy: -159.824
flat angles P-C4'-P energy: -119.299
tors. eta vs tors. theta energy: -251.610
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: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2619.609048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.609048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.609048 (E_RNA)
where:
Base-Base interactions energy: -1848.580
where: short stacking energy: -759.144
Base-Backbone interact. energy: -0.573
local terms energy: -770.455787
where:
bonds (distance) C4'-P energy: -136.673
bonds (distance) P-C4' energy: -152.601
flat angles C4'-P-C4' energy: -150.384
flat angles P-C4'-P energy: -105.080
tors. eta vs tors. theta energy: -225.717
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: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2500.069116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.069116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.069116 (E_RNA)
where:
Base-Base interactions energy: -1722.381
where: short stacking energy: -739.992
Base-Backbone interact. energy: -1.336
local terms energy: -776.351746
where:
bonds (distance) C4'-P energy: -135.712
bonds (distance) P-C4' energy: -137.205
flat angles C4'-P-C4' energy: -163.205
flat angles P-C4'-P energy: -117.078
tors. eta vs tors. theta energy: -223.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2377.817141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.817141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.817141 (E_RNA)
where:
Base-Base interactions energy: -1609.899
where: short stacking energy: -716.710
Base-Backbone interact. energy: -3.146
local terms energy: -764.772069
where:
bonds (distance) C4'-P energy: -130.037
bonds (distance) P-C4' energy: -152.524
flat angles C4'-P-C4' energy: -156.024
flat angles P-C4'-P energy: -110.729
tors. eta vs tors. theta energy: -215.458
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: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2272.340370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.340370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.340370 (E_RNA)
where:
Base-Base interactions energy: -1572.750
where: short stacking energy: -649.769
Base-Backbone interact. energy: -3.092
local terms energy: -696.498998
where:
bonds (distance) C4'-P energy: -124.041
bonds (distance) P-C4' energy: -137.321
flat angles C4'-P-C4' energy: -150.341
flat angles P-C4'-P energy: -95.664
tors. eta vs tors. theta energy: -189.132
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: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2184.120669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.120669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.120669 (E_RNA)
where:
Base-Base interactions energy: -1505.685
where: short stacking energy: -647.257
Base-Backbone interact. energy: -3.831
local terms energy: -674.604459
where:
bonds (distance) C4'-P energy: -125.748
bonds (distance) P-C4' energy: -123.494
flat angles C4'-P-C4' energy: -149.004
flat angles P-C4'-P energy: -87.645
tors. eta vs tors. theta energy: -188.714
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: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1643.165706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.165706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.165706 (E_RNA)
where:
Base-Base interactions energy: -1059.781
where: short stacking energy: -490.313
Base-Backbone interact. energy: -1.372
local terms energy: -582.012964
where:
bonds (distance) C4'-P energy: -129.231
bonds (distance) P-C4' energy: -121.577
flat angles C4'-P-C4' energy: -133.194
flat angles P-C4'-P energy: -76.591
tors. eta vs tors. theta energy: -121.421
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: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1375.661527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.661527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.661527 (E_RNA)
where:
Base-Base interactions energy: -850.305
where: short stacking energy: -401.015
Base-Backbone interact. energy: -0.925
local terms energy: -524.431567
where:
bonds (distance) C4'-P energy: -121.182
bonds (distance) P-C4' energy: -116.572
flat angles C4'-P-C4' energy: -130.754
flat angles P-C4'-P energy: -63.064
tors. eta vs tors. theta energy: -92.860
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: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -940.913732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.913732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.913732 (E_RNA)
where:
Base-Base interactions energy: -497.018
where: short stacking energy: -273.041
Base-Backbone interact. energy: 7.849
local terms energy: -451.744680
where:
bonds (distance) C4'-P energy: -124.421
bonds (distance) P-C4' energy: -132.806
flat angles C4'-P-C4' energy: -126.832
flat angles P-C4'-P energy: -59.314
tors. eta vs tors. theta energy: -8.372
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: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -781.778654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.778654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.778654 (E_RNA)
where:
Base-Base interactions energy: -412.616
where: short stacking energy: -225.771
Base-Backbone interact. energy: 7.143
local terms energy: -376.305232
where:
bonds (distance) C4'-P energy: -102.152
bonds (distance) P-C4' energy: -123.403
flat angles C4'-P-C4' energy: -93.997
flat angles P-C4'-P energy: -55.007
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: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2655.954861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.954861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.954861 (E_RNA)
where:
Base-Base interactions energy: -1820.149
where: short stacking energy: -813.759
Base-Backbone interact. energy: -3.750
local terms energy: -832.055745
where:
bonds (distance) C4'-P energy: -146.956
bonds (distance) P-C4' energy: -156.528
flat angles C4'-P-C4' energy: -166.547
flat angles P-C4'-P energy: -111.570
tors. eta vs tors. theta energy: -250.455
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: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2592.180749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.180749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.180749 (E_RNA)
where:
Base-Base interactions energy: -1819.906
where: short stacking energy: -768.712
Base-Backbone interact. energy: 0.243
local terms energy: -772.517817
where:
bonds (distance) C4'-P energy: -135.676
bonds (distance) P-C4' energy: -142.347
flat angles C4'-P-C4' energy: -167.221
flat angles P-C4'-P energy: -104.949
tors. eta vs tors. theta energy: -222.324
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: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2516.336271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.336271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.336271 (E_RNA)
where:
Base-Base interactions energy: -1736.392
where: short stacking energy: -734.516
Base-Backbone interact. energy: -4.609
local terms energy: -775.335301
where:
bonds (distance) C4'-P energy: -123.763
bonds (distance) P-C4' energy: -151.490
flat angles C4'-P-C4' energy: -166.162
flat angles P-C4'-P energy: -106.867
tors. eta vs tors. theta energy: -227.053
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: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2405.498327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.498327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.498327 (E_RNA)
where:
Base-Base interactions energy: -1655.962
where: short stacking energy: -725.453
Base-Backbone interact. energy: -3.932
local terms energy: -745.603835
where:
bonds (distance) C4'-P energy: -123.437
bonds (distance) P-C4' energy: -123.073
flat angles C4'-P-C4' energy: -160.113
flat angles P-C4'-P energy: -116.500
tors. eta vs tors. theta energy: -222.481
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: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2254.528246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.528246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.528246 (E_RNA)
where:
Base-Base interactions energy: -1529.616
where: short stacking energy: -662.011
Base-Backbone interact. energy: 0.144
local terms energy: -725.055904
where:
bonds (distance) C4'-P energy: -126.846
bonds (distance) P-C4' energy: -154.420
flat angles C4'-P-C4' energy: -159.947
flat angles P-C4'-P energy: -97.004
tors. eta vs tors. theta energy: -186.839
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: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2185.744515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.744515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.744515 (E_RNA)
where:
Base-Base interactions energy: -1514.123
where: short stacking energy: -626.809
Base-Backbone interact. energy: -2.351
local terms energy: -669.271357
where:
bonds (distance) C4'-P energy: -124.291
bonds (distance) P-C4' energy: -124.369
flat angles C4'-P-C4' energy: -144.881
flat angles P-C4'-P energy: -101.597
tors. eta vs tors. theta energy: -174.134
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: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1666.481740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.481740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.481740 (E_RNA)
where:
Base-Base interactions energy: -1074.497
where: short stacking energy: -465.261
Base-Backbone interact. energy: -3.835
local terms energy: -588.150099
where:
bonds (distance) C4'-P energy: -114.950
bonds (distance) P-C4' energy: -145.831
flat angles C4'-P-C4' energy: -127.217
flat angles P-C4'-P energy: -82.844
tors. eta vs tors. theta energy: -117.309
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: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1367.637646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.637646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.637646 (E_RNA)
where:
Base-Base interactions energy: -839.768
where: short stacking energy: -394.463
Base-Backbone interact. energy: -2.077
local terms energy: -525.792697
where:
bonds (distance) C4'-P energy: -124.347
bonds (distance) P-C4' energy: -128.510
flat angles C4'-P-C4' energy: -133.052
flat angles P-C4'-P energy: -62.538
tors. eta vs tors. theta energy: -77.345
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: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -971.236941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.236941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.236941 (E_RNA)
where:
Base-Base interactions energy: -516.268
where: short stacking energy: -293.585
Base-Backbone interact. energy: 0.394
local terms energy: -455.362554
where:
bonds (distance) C4'-P energy: -118.144
bonds (distance) P-C4' energy: -125.836
flat angles C4'-P-C4' energy: -122.386
flat angles P-C4'-P energy: -65.394
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: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -785.294908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.294908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.294908 (E_RNA)
where:
Base-Base interactions energy: -400.860
where: short stacking energy: -220.234
Base-Backbone interact. energy: 0.292
local terms energy: -384.727537
where:
bonds (distance) C4'-P energy: -94.456
bonds (distance) P-C4' energy: -129.537
flat angles C4'-P-C4' energy: -104.495
flat angles P-C4'-P energy: -64.311
tors. eta vs tors. theta energy: 8.072
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: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2651.396783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.396783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.396783 (E_RNA)
where:
Base-Base interactions energy: -1809.568
where: short stacking energy: -813.103
Base-Backbone interact. energy: -3.730
local terms energy: -838.098845
where:
bonds (distance) C4'-P energy: -153.586
bonds (distance) P-C4' energy: -143.990
flat angles C4'-P-C4' energy: -164.337
flat angles P-C4'-P energy: -127.877
tors. eta vs tors. theta energy: -248.309
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: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2608.663771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.663771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.663771 (E_RNA)
where:
Base-Base interactions energy: -1824.994
where: short stacking energy: -739.862
Base-Backbone interact. energy: -0.403
local terms energy: -783.266753
where:
bonds (distance) C4'-P energy: -157.572
bonds (distance) P-C4' energy: -156.338
flat angles C4'-P-C4' energy: -158.689
flat angles P-C4'-P energy: -109.480
tors. eta vs tors. theta energy: -201.187
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: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2478.284681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.284681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.284681 (E_RNA)
where:
Base-Base interactions energy: -1719.856
where: short stacking energy: -731.715
Base-Backbone interact. energy: -5.585
local terms energy: -752.844277
where:
bonds (distance) C4'-P energy: -136.068
bonds (distance) P-C4' energy: -138.044
flat angles C4'-P-C4' energy: -164.067
flat angles P-C4'-P energy: -100.183
tors. eta vs tors. theta energy: -214.483
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: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2375.029540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.029540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.029540 (E_RNA)
where:
Base-Base interactions energy: -1653.894
where: short stacking energy: -724.257
Base-Backbone interact. energy: -0.021
local terms energy: -721.114505
where:
bonds (distance) C4'-P energy: -132.546
bonds (distance) P-C4' energy: -125.899
flat angles C4'-P-C4' energy: -156.385
flat angles P-C4'-P energy: -89.302
tors. eta vs tors. theta energy: -216.982
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: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2245.530193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.530193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.530193 (E_RNA)
where:
Base-Base interactions energy: -1581.365
where: short stacking energy: -673.932
Base-Backbone interact. energy: -4.311
local terms energy: -659.853621
where:
bonds (distance) C4'-P energy: -99.141
bonds (distance) P-C4' energy: -121.370
flat angles C4'-P-C4' energy: -150.236
flat angles P-C4'-P energy: -97.228
tors. eta vs tors. theta energy: -191.879
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: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2141.609278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.609278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.609278 (E_RNA)
where:
Base-Base interactions energy: -1466.222
where: short stacking energy: -603.904
Base-Backbone interact. energy: -3.110
local terms energy: -672.277947
where:
bonds (distance) C4'-P energy: -129.261
bonds (distance) P-C4' energy: -129.105
flat angles C4'-P-C4' energy: -145.145
flat angles P-C4'-P energy: -102.079
tors. eta vs tors. theta energy: -166.688
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: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1628.184874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.184874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.184874 (E_RNA)
where:
Base-Base interactions energy: -1065.702
where: short stacking energy: -493.985
Base-Backbone interact. energy: -1.360
local terms energy: -561.122804
where:
bonds (distance) C4'-P energy: -115.609
bonds (distance) P-C4' energy: -114.123
flat angles C4'-P-C4' energy: -130.515
flat angles P-C4'-P energy: -78.434
tors. eta vs tors. theta energy: -122.442
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: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1318.641399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.641399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.641399 (E_RNA)
where:
Base-Base interactions energy: -822.039
where: short stacking energy: -407.518
Base-Backbone interact. energy: 1.113
local terms energy: -497.715243
where:
bonds (distance) C4'-P energy: -104.640
bonds (distance) P-C4' energy: -114.138
flat angles C4'-P-C4' energy: -116.054
flat angles P-C4'-P energy: -75.653
tors. eta vs tors. theta energy: -87.231
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: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -939.089825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.089825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.089825 (E_RNA)
where:
Base-Base interactions energy: -490.999
where: short stacking energy: -246.262
Base-Backbone interact. energy: -1.581
local terms energy: -446.509988
where:
bonds (distance) C4'-P energy: -123.794
bonds (distance) P-C4' energy: -128.005
flat angles C4'-P-C4' energy: -120.319
flat angles P-C4'-P energy: -59.561
tors. eta vs tors. theta energy: -14.831
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: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -804.860284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.860284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.860284 (E_RNA)
where:
Base-Base interactions energy: -400.609
where: short stacking energy: -212.744
Base-Backbone interact. energy: 2.869
local terms energy: -407.120201
where:
bonds (distance) C4'-P energy: -95.484
bonds (distance) P-C4' energy: -132.598
flat angles C4'-P-C4' energy: -114.669
flat angles P-C4'-P energy: -64.202
tors. eta vs tors. theta energy: -0.169
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: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2645.327945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.327945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.327945 (E_RNA)
where:
Base-Base interactions energy: -1816.058
where: short stacking energy: -810.611
Base-Backbone interact. energy: -1.043
local terms energy: -828.226262
where:
bonds (distance) C4'-P energy: -142.464
bonds (distance) P-C4' energy: -141.238
flat angles C4'-P-C4' energy: -177.171
flat angles P-C4'-P energy: -114.339
tors. eta vs tors. theta energy: -253.014
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: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2576.880037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.880037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.880037 (E_RNA)
where:
Base-Base interactions energy: -1830.157
where: short stacking energy: -763.106
Base-Backbone interact. energy: -2.247
local terms energy: -744.476373
where:
bonds (distance) C4'-P energy: -124.147
bonds (distance) P-C4' energy: -142.544
flat angles C4'-P-C4' energy: -156.704
flat angles P-C4'-P energy: -106.462
tors. eta vs tors. theta energy: -214.619
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: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2473.532713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.532713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.532713 (E_RNA)
where:
Base-Base interactions energy: -1712.468
where: short stacking energy: -732.960
Base-Backbone interact. energy: -3.209
local terms energy: -757.856232
where:
bonds (distance) C4'-P energy: -122.685
bonds (distance) P-C4' energy: -145.328
flat angles C4'-P-C4' energy: -168.629
flat angles P-C4'-P energy: -103.052
tors. eta vs tors. theta energy: -218.162
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: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2327.773630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.773630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.773630 (E_RNA)
where:
Base-Base interactions energy: -1594.509
where: short stacking energy: -687.771
Base-Backbone interact. energy: -2.555
local terms energy: -730.709908
where:
bonds (distance) C4'-P energy: -140.890
bonds (distance) P-C4' energy: -126.309
flat angles C4'-P-C4' energy: -165.848
flat angles P-C4'-P energy: -102.469
tors. eta vs tors. theta energy: -195.194
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: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2219.901869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.901869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.901869 (E_RNA)
where:
Base-Base interactions energy: -1549.430
where: short stacking energy: -666.900
Base-Backbone interact. energy: -2.818
local terms energy: -667.654011
where:
bonds (distance) C4'-P energy: -114.237
bonds (distance) P-C4' energy: -122.233
flat angles C4'-P-C4' energy: -164.461
flat angles P-C4'-P energy: -90.248
tors. eta vs tors. theta energy: -176.475
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: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2170.393110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.393110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.393110 (E_RNA)
where:
Base-Base interactions energy: -1531.455
where: short stacking energy: -649.686
Base-Backbone interact. energy: 5.046
local terms energy: -643.984406
where:
bonds (distance) C4'-P energy: -113.889
bonds (distance) P-C4' energy: -119.976
flat angles C4'-P-C4' energy: -147.529
flat angles P-C4'-P energy: -85.688
tors. eta vs tors. theta energy: -176.902
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: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1584.418794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.418794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.418794 (E_RNA)
where:
Base-Base interactions energy: -1011.937
where: short stacking energy: -476.189
Base-Backbone interact. energy: -0.394
local terms energy: -572.087605
where:
bonds (distance) C4'-P energy: -128.316
bonds (distance) P-C4' energy: -120.410
flat angles C4'-P-C4' energy: -135.366
flat angles P-C4'-P energy: -82.753
tors. eta vs tors. theta energy: -105.243
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: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1339.911403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.911403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.911403 (E_RNA)
where:
Base-Base interactions energy: -852.874
where: short stacking energy: -397.754
Base-Backbone interact. energy: -1.770
local terms energy: -485.267728
where:
bonds (distance) C4'-P energy: -113.227
bonds (distance) P-C4' energy: -110.016
flat angles C4'-P-C4' energy: -113.084
flat angles P-C4'-P energy: -66.746
tors. eta vs tors. theta energy: -82.194
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: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -887.972173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.972173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.972173 (E_RNA)
where:
Base-Base interactions energy: -488.599
where: short stacking energy: -265.183
Base-Backbone interact. energy: 4.504
local terms energy: -403.876913
where:
bonds (distance) C4'-P energy: -109.789
bonds (distance) P-C4' energy: -114.909
flat angles C4'-P-C4' energy: -96.886
flat angles P-C4'-P energy: -69.411
tors. eta vs tors. theta energy: -12.882
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: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -779.290425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.290425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.290425 (E_RNA)
where:
Base-Base interactions energy: -369.552
where: short stacking energy: -213.455
Base-Backbone interact. energy: 5.413
local terms energy: -415.151018
where:
bonds (distance) C4'-P energy: -119.172
bonds (distance) P-C4' energy: -130.019
flat angles C4'-P-C4' energy: -96.801
flat angles P-C4'-P energy: -81.433
tors. eta vs tors. theta energy: 12.274
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: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2660.226164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.226164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.226164 (E_RNA)
where:
Base-Base interactions energy: -1808.063
where: short stacking energy: -816.143
Base-Backbone interact. energy: -2.716
local terms energy: -849.447052
where:
bonds (distance) C4'-P energy: -148.826
bonds (distance) P-C4' energy: -147.504
flat angles C4'-P-C4' energy: -168.941
flat angles P-C4'-P energy: -127.089
tors. eta vs tors. theta energy: -257.087
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: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2591.823034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.823034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.823034 (E_RNA)
where:
Base-Base interactions energy: -1816.772
where: short stacking energy: -731.494
Base-Backbone interact. energy: 0.980
local terms energy: -776.030322
where:
bonds (distance) C4'-P energy: -144.569
bonds (distance) P-C4' energy: -137.678
flat angles C4'-P-C4' energy: -176.962
flat angles P-C4'-P energy: -101.027
tors. eta vs tors. theta energy: -215.793
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: 433
Temperature: 1.000000
Total energy: -2486.989747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.989747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.989747 (E_RNA)
where:
Base-Base interactions energy: -1732.507
where: short stacking energy: -728.471
Base-Backbone interact. energy: 0.518
local terms energy: -755.000118
where:
bonds (distance) C4'-P energy: -134.478
bonds (distance) P-C4' energy: -133.888
flat angles C4'-P-C4' energy: -163.699
flat angles P-C4'-P energy: -103.458
tors. eta vs tors. theta energy: -219.477
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: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2389.668086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.668086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.668086 (E_RNA)
where:
Base-Base interactions energy: -1634.367
where: short stacking energy: -703.707
Base-Backbone interact. energy: -0.629
local terms energy: -754.671967
where:
bonds (distance) C4'-P energy: -127.585
bonds (distance) P-C4' energy: -147.312
flat angles C4'-P-C4' energy: -158.721
flat angles P-C4'-P energy: -99.750
tors. eta vs tors. theta energy: -221.304
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: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2238.743402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.743402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.743402 (E_RNA)
where:
Base-Base interactions energy: -1550.405
where: short stacking energy: -686.791
Base-Backbone interact. energy: -1.120
local terms energy: -687.218474
where:
bonds (distance) C4'-P energy: -122.989
bonds (distance) P-C4' energy: -139.444
flat angles C4'-P-C4' energy: -140.835
flat angles P-C4'-P energy: -78.979
tors. eta vs tors. theta energy: -204.971
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: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2196.199241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.199241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.199241 (E_RNA)
where:
Base-Base interactions energy: -1501.983
where: short stacking energy: -620.220
Base-Backbone interact. energy: 2.233
local terms energy: -696.449449
where:
bonds (distance) C4'-P energy: -128.692
bonds (distance) P-C4' energy: -133.169
flat angles C4'-P-C4' energy: -157.783
flat angles P-C4'-P energy: -96.762
tors. eta vs tors. theta energy: -180.044
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: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1618.759756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.759756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.759756 (E_RNA)
where:
Base-Base interactions energy: -1084.473
where: short stacking energy: -486.046
Base-Backbone interact. energy: -1.034
local terms energy: -533.251961
where:
bonds (distance) C4'-P energy: -102.772
bonds (distance) P-C4' energy: -122.379
flat angles C4'-P-C4' energy: -128.528
flat angles P-C4'-P energy: -73.006
tors. eta vs tors. theta energy: -106.567
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: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1327.174606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.174606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.174606 (E_RNA)
where:
Base-Base interactions energy: -834.492
where: short stacking energy: -374.800
Base-Backbone interact. energy: -2.022
local terms energy: -490.660753
where:
bonds (distance) C4'-P energy: -112.354
bonds (distance) P-C4' energy: -130.213
flat angles C4'-P-C4' energy: -123.931
flat angles P-C4'-P energy: -64.693
tors. eta vs tors. theta energy: -59.469
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: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -899.708825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.708825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.708825 (E_RNA)
where:
Base-Base interactions energy: -511.020
where: short stacking energy: -263.468
Base-Backbone interact. energy: 2.389
local terms energy: -391.078572
where:
bonds (distance) C4'-P energy: -107.561
bonds (distance) P-C4' energy: -124.567
flat angles C4'-P-C4' energy: -93.385
flat angles P-C4'-P energy: -62.423
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: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -797.309411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.309411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.309411 (E_RNA)
where:
Base-Base interactions energy: -426.684
where: short stacking energy: -234.866
Base-Backbone interact. energy: 1.682
local terms energy: -372.308287
where:
bonds (distance) C4'-P energy: -104.396
bonds (distance) P-C4' energy: -123.928
flat angles C4'-P-C4' energy: -92.263
flat angles P-C4'-P energy: -53.191
tors. eta vs tors. theta energy: 1.470
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: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2677.818713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.818713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.818713 (E_RNA)
where:
Base-Base interactions energy: -1887.766
where: short stacking energy: -758.898
Base-Backbone interact. energy: -2.158
local terms energy: -787.894618
where:
bonds (distance) C4'-P energy: -140.014
bonds (distance) P-C4' energy: -151.704
flat angles C4'-P-C4' energy: -156.569
flat angles P-C4'-P energy: -111.592
tors. eta vs tors. theta energy: -228.015
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: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2585.225598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.225598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.225598 (E_RNA)
where:
Base-Base interactions energy: -1782.991
where: short stacking energy: -799.470
Base-Backbone interact. energy: -3.057
local terms energy: -799.177336
where:
bonds (distance) C4'-P energy: -136.429
bonds (distance) P-C4' energy: -143.978
flat angles C4'-P-C4' energy: -168.899
flat angles P-C4'-P energy: -98.271
tors. eta vs tors. theta energy: -251.600
Dist. restrs. and SS energy: 0.000 (S_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: 434
Temperature: 1.000000
Total energy: -2456.845584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.845584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.845584 (E_RNA)
where:
Base-Base interactions energy: -1694.626
where: short stacking energy: -723.835
Base-Backbone interact. energy: -3.822
local terms energy: -758.397360
where:
bonds (distance) C4'-P energy: -138.199
bonds (distance) P-C4' energy: -134.474
flat angles C4'-P-C4' energy: -155.389
flat angles P-C4'-P energy: -109.831
tors. eta vs tors. theta energy: -220.503
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: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2411.977567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.977567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.977567 (E_RNA)
where:
Base-Base interactions energy: -1678.169
where: short stacking energy: -718.352
Base-Backbone interact. energy: -2.047
local terms energy: -731.760688
where:
bonds (distance) C4'-P energy: -122.188
bonds (distance) P-C4' energy: -141.561
flat angles C4'-P-C4' energy: -159.699
flat angles P-C4'-P energy: -99.120
tors. eta vs tors. theta energy: -209.193
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: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2192.316630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.316630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.316630 (E_RNA)
where:
Base-Base interactions energy: -1532.317
where: short stacking energy: -647.079
Base-Backbone interact. energy: 0.230
local terms energy: -660.229166
where:
bonds (distance) C4'-P energy: -117.877
bonds (distance) P-C4' energy: -129.687
flat angles C4'-P-C4' energy: -139.233
flat angles P-C4'-P energy: -98.353
tors. eta vs tors. theta energy: -175.079
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: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2149.653681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.653681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.653681 (E_RNA)
where:
Base-Base interactions energy: -1472.102
where: short stacking energy: -620.884
Base-Backbone interact. energy: -1.028
local terms energy: -676.523256
where:
bonds (distance) C4'-P energy: -129.785
bonds (distance) P-C4' energy: -124.933
flat angles C4'-P-C4' energy: -146.546
flat angles P-C4'-P energy: -94.108
tors. eta vs tors. theta energy: -181.151
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: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1645.418671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.418671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.418671 (E_RNA)
where:
Base-Base interactions energy: -1064.898
where: short stacking energy: -480.287
Base-Backbone interact. energy: 0.719
local terms energy: -581.239456
where:
bonds (distance) C4'-P energy: -109.136
bonds (distance) P-C4' energy: -136.232
flat angles C4'-P-C4' energy: -136.943
flat angles P-C4'-P energy: -98.889
tors. eta vs tors. theta energy: -100.040
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: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1348.660365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.660365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.660365 (E_RNA)
where:
Base-Base interactions energy: -835.044
where: short stacking energy: -381.663
Base-Backbone interact. energy: 0.006
local terms energy: -513.622210
where:
bonds (distance) C4'-P energy: -128.164
bonds (distance) P-C4' energy: -127.479
flat angles C4'-P-C4' energy: -126.898
flat angles P-C4'-P energy: -68.700
tors. eta vs tors. theta energy: -62.380
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: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -866.132835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.132835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.132835 (E_RNA)
where:
Base-Base interactions energy: -400.450
where: short stacking energy: -252.339
Base-Backbone interact. energy: 2.400
local terms energy: -468.082685
where:
bonds (distance) C4'-P energy: -130.214
bonds (distance) P-C4' energy: -140.085
flat angles C4'-P-C4' energy: -110.026
flat angles P-C4'-P energy: -68.712
tors. eta vs tors. theta energy: -19.045
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: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -815.803288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.803288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.803288 (E_RNA)
where:
Base-Base interactions energy: -428.277
where: short stacking energy: -226.968
Base-Backbone interact. energy: -0.204
local terms energy: -387.321862
where:
bonds (distance) C4'-P energy: -125.803
bonds (distance) P-C4' energy: -122.117
flat angles C4'-P-C4' energy: -90.942
flat angles P-C4'-P energy: -36.107
tors. eta vs tors. theta energy: -12.352
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: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2678.901110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.901110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.901110 (E_RNA)
where:
Base-Base interactions energy: -1892.591
where: short stacking energy: -753.941
Base-Backbone interact. energy: -0.563
local terms energy: -785.747205
where:
bonds (distance) C4'-P energy: -139.885
bonds (distance) P-C4' energy: -147.927
flat angles C4'-P-C4' energy: -164.314
flat angles P-C4'-P energy: -113.005
tors. eta vs tors. theta energy: -220.616
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: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2610.733191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.733191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.733191 (E_RNA)
where:
Base-Base interactions energy: -1803.832
where: short stacking energy: -809.732
Base-Backbone interact. energy: 4.423
local terms energy: -811.324298
where:
bonds (distance) C4'-P energy: -145.807
bonds (distance) P-C4' energy: -137.533
flat angles C4'-P-C4' energy: -166.888
flat angles P-C4'-P energy: -113.321
tors. eta vs tors. theta energy: -247.775
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: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2499.473521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.473521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.473521 (E_RNA)
where:
Base-Base interactions energy: -1725.587
where: short stacking energy: -729.161
Base-Backbone interact. energy: -4.793
local terms energy: -769.093773
where:
bonds (distance) C4'-P energy: -143.964
bonds (distance) P-C4' energy: -135.432
flat angles C4'-P-C4' energy: -162.379
flat angles P-C4'-P energy: -106.146
tors. eta vs tors. theta energy: -221.172
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: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2424.911055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.911055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.911055 (E_RNA)
where:
Base-Base interactions energy: -1689.328
where: short stacking energy: -711.472
Base-Backbone interact. energy: -1.319
local terms energy: -734.263979
where:
bonds (distance) C4'-P energy: -119.082
bonds (distance) P-C4' energy: -139.188
flat angles C4'-P-C4' energy: -155.967
flat angles P-C4'-P energy: -107.074
tors. eta vs tors. theta energy: -212.953
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: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2196.875423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.875423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.875423 (E_RNA)
where:
Base-Base interactions energy: -1528.315
where: short stacking energy: -636.573
Base-Backbone interact. energy: 3.127
local terms energy: -671.686807
where:
bonds (distance) C4'-P energy: -120.770
bonds (distance) P-C4' energy: -117.278
flat angles C4'-P-C4' energy: -146.224
flat angles P-C4'-P energy: -100.917
tors. eta vs tors. theta energy: -186.498
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: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2199.363553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.363553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.363553 (E_RNA)
where:
Base-Base interactions energy: -1506.993
where: short stacking energy: -657.081
Base-Backbone interact. energy: 2.293
local terms energy: -694.663101
where:
bonds (distance) C4'-P energy: -117.116
bonds (distance) P-C4' energy: -136.216
flat angles C4'-P-C4' energy: -164.187
flat angles P-C4'-P energy: -90.685
tors. eta vs tors. theta energy: -186.459
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: 435
Temperature: 1.200000
Total energy: -1656.168633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.168633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.168633 (E_RNA)
where:
Base-Base interactions energy: -1079.627
where: short stacking energy: -495.872
Base-Backbone interact. energy: 4.383
local terms energy: -580.924431
where:
bonds (distance) C4'-P energy: -131.110
bonds (distance) P-C4' energy: -119.422
flat angles C4'-P-C4' energy: -137.024
flat angles P-C4'-P energy: -75.183
tors. eta vs tors. theta energy: -118.185
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: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1463.055486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.055486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.055486 (E_RNA)
where:
Base-Base interactions energy: -912.064
where: short stacking energy: -433.524
Base-Backbone interact. energy: 0.351
local terms energy: -551.342693
where:
bonds (distance) C4'-P energy: -109.897
bonds (distance) P-C4' energy: -122.715
flat angles C4'-P-C4' energy: -133.556
flat angles P-C4'-P energy: -88.051
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: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -895.131866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.131866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.131866 (E_RNA)
where:
Base-Base interactions energy: -479.640
where: short stacking energy: -266.387
Base-Backbone interact. energy: 1.366
local terms energy: -416.858088
where:
bonds (distance) C4'-P energy: -109.097
bonds (distance) P-C4' energy: -125.874
flat angles C4'-P-C4' energy: -108.152
flat angles P-C4'-P energy: -64.799
tors. eta vs tors. theta energy: -8.937
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: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -792.922027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.922027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.922027 (E_RNA)
where:
Base-Base interactions energy: -399.632
where: short stacking energy: -252.241
Base-Backbone interact. energy: 2.189
local terms energy: -395.478605
where:
bonds (distance) C4'-P energy: -122.390
bonds (distance) P-C4' energy: -98.534
flat angles C4'-P-C4' energy: -105.771
flat angles P-C4'-P energy: -52.401
tors. eta vs tors. theta energy: -16.383
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: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2705.022922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.022922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.022922 (E_RNA)
where:
Base-Base interactions energy: -1920.412
where: short stacking energy: -782.783
Base-Backbone interact. energy: -3.707
local terms energy: -780.903640
where:
bonds (distance) C4'-P energy: -148.520
bonds (distance) P-C4' energy: -141.836
flat angles C4'-P-C4' energy: -165.783
flat angles P-C4'-P energy: -98.798
tors. eta vs tors. theta energy: -225.967
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: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2608.688326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.688326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.688326 (E_RNA)
where:
Base-Base interactions energy: -1803.826
where: short stacking energy: -791.391
Base-Backbone interact. energy: -2.146
local terms energy: -802.716650
where:
bonds (distance) C4'-P energy: -131.899
bonds (distance) P-C4' energy: -131.621
flat angles C4'-P-C4' energy: -174.795
flat angles P-C4'-P energy: -116.446
tors. eta vs tors. theta energy: -247.957
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: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2402.236961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.236961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.236961 (E_RNA)
where:
Base-Base interactions energy: -1634.149
where: short stacking energy: -718.539
Base-Backbone interact. energy: -2.226
local terms energy: -765.862402
where:
bonds (distance) C4'-P energy: -147.047
bonds (distance) P-C4' energy: -135.466
flat angles C4'-P-C4' energy: -157.068
flat angles P-C4'-P energy: -111.066
tors. eta vs tors. theta energy: -215.215
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: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2459.125207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.125207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.125207 (E_RNA)
where:
Base-Base interactions energy: -1716.627
where: short stacking energy: -741.561
Base-Backbone interact. energy: -3.451
local terms energy: -739.046912
where:
bonds (distance) C4'-P energy: -129.088
bonds (distance) P-C4' energy: -126.635
flat angles C4'-P-C4' energy: -155.800
flat angles P-C4'-P energy: -108.209
tors. eta vs tors. theta energy: -219.315
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: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2258.666074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.666074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.666074 (E_RNA)
where:
Base-Base interactions energy: -1553.059
where: short stacking energy: -662.769
Base-Backbone interact. energy: -2.656
local terms energy: -702.951619
where:
bonds (distance) C4'-P energy: -121.534
bonds (distance) P-C4' energy: -148.251
flat angles C4'-P-C4' energy: -153.235
flat angles P-C4'-P energy: -92.332
tors. eta vs tors. theta energy: -187.599
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: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2143.068245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.068245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.068245 (E_RNA)
where:
Base-Base interactions energy: -1486.927
where: short stacking energy: -613.119
Base-Backbone interact. energy: 5.086
local terms energy: -661.227083
where:
bonds (distance) C4'-P energy: -114.911
bonds (distance) P-C4' energy: -141.602
flat angles C4'-P-C4' energy: -144.792
flat angles P-C4'-P energy: -89.850
tors. eta vs tors. theta energy: -170.072
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: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1671.643591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.643591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.643591 (E_RNA)
where:
Base-Base interactions energy: -1083.025
where: short stacking energy: -504.552
Base-Backbone interact. energy: -1.252
local terms energy: -587.366244
where:
bonds (distance) C4'-P energy: -131.498
bonds (distance) P-C4' energy: -132.325
flat angles C4'-P-C4' energy: -127.613
flat angles P-C4'-P energy: -77.145
tors. eta vs tors. theta energy: -118.786
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: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1435.063224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.063224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.063224 (E_RNA)
where:
Base-Base interactions energy: -903.751
where: short stacking energy: -442.774
Base-Backbone interact. energy: 3.061
local terms energy: -534.373479
where:
bonds (distance) C4'-P energy: -118.580
bonds (distance) P-C4' energy: -127.549
flat angles C4'-P-C4' energy: -118.034
flat angles P-C4'-P energy: -76.054
tors. eta vs tors. theta energy: -94.157
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: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -953.982669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.982669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.982669 (E_RNA)
where:
Base-Base interactions energy: -486.296
where: short stacking energy: -265.552
Base-Backbone interact. energy: -0.267
local terms energy: -467.419892
where:
bonds (distance) C4'-P energy: -121.643
bonds (distance) P-C4' energy: -133.325
flat angles C4'-P-C4' energy: -122.249
flat angles P-C4'-P energy: -60.433
tors. eta vs tors. theta energy: -29.770
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: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -790.006312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.006312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.006312 (E_RNA)
where:
Base-Base interactions energy: -403.327
where: short stacking energy: -227.637
Base-Backbone interact. energy: 2.250
local terms energy: -388.929223
where:
bonds (distance) C4'-P energy: -113.532
bonds (distance) P-C4' energy: -131.437
flat angles C4'-P-C4' energy: -98.125
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: -11.066
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: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2688.467699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.467699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.467699 (E_RNA)
where:
Base-Base interactions energy: -1888.578
where: short stacking energy: -782.878
Base-Backbone interact. energy: -5.794
local terms energy: -794.095846
where:
bonds (distance) C4'-P energy: -143.517
bonds (distance) P-C4' energy: -138.924
flat angles C4'-P-C4' energy: -176.056
flat angles P-C4'-P energy: -112.337
tors. eta vs tors. theta energy: -223.262
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: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2614.941909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.941909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.941909 (E_RNA)
where:
Base-Base interactions energy: -1782.924
where: short stacking energy: -770.783
Base-Backbone interact. energy: -2.123
local terms energy: -829.895174
where:
bonds (distance) C4'-P energy: -144.234
bonds (distance) P-C4' energy: -153.755
flat angles C4'-P-C4' energy: -175.902
flat angles P-C4'-P energy: -114.586
tors. eta vs tors. theta energy: -241.418
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: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2452.704825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.704825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.704825 (E_RNA)
where:
Base-Base interactions energy: -1697.027
where: short stacking energy: -734.986
Base-Backbone interact. energy: -1.036
local terms energy: -754.641970
where:
bonds (distance) C4'-P energy: -130.285
bonds (distance) P-C4' energy: -137.773
flat angles C4'-P-C4' energy: -151.622
flat angles P-C4'-P energy: -113.882
tors. eta vs tors. theta energy: -221.080
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: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2393.120146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.120146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.120146 (E_RNA)
where:
Base-Base interactions energy: -1677.733
where: short stacking energy: -690.676
Base-Backbone interact. energy: -3.420
local terms energy: -711.967438
where:
bonds (distance) C4'-P energy: -114.301
bonds (distance) P-C4' energy: -130.137
flat angles C4'-P-C4' energy: -157.838
flat angles P-C4'-P energy: -101.701
tors. eta vs tors. theta energy: -207.990
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: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2258.433632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.433632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.433632 (E_RNA)
where:
Base-Base interactions energy: -1586.850
where: short stacking energy: -680.477
Base-Backbone interact. energy: -0.292
local terms energy: -671.292219
where:
bonds (distance) C4'-P energy: -125.025
bonds (distance) P-C4' energy: -122.712
flat angles C4'-P-C4' energy: -152.574
flat angles P-C4'-P energy: -87.950
tors. eta vs tors. theta energy: -183.031
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: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2167.944461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.944461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.944461 (E_RNA)
where:
Base-Base interactions energy: -1510.481
where: short stacking energy: -641.363
Base-Backbone interact. energy: -3.159
local terms energy: -654.305156
where:
bonds (distance) C4'-P energy: -115.987
bonds (distance) P-C4' energy: -131.930
flat angles C4'-P-C4' energy: -134.887
flat angles P-C4'-P energy: -96.109
tors. eta vs tors. theta energy: -175.392
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: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1682.269899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.269899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.269899 (E_RNA)
where:
Base-Base interactions energy: -1114.164
where: short stacking energy: -501.472
Base-Backbone interact. energy: 0.481
local terms energy: -568.586870
where:
bonds (distance) C4'-P energy: -116.638
bonds (distance) P-C4' energy: -108.871
flat angles C4'-P-C4' energy: -130.223
flat angles P-C4'-P energy: -83.867
tors. eta vs tors. theta energy: -128.988
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: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1360.442923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.442923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.442923 (E_RNA)
where:
Base-Base interactions energy: -832.018
where: short stacking energy: -417.411
Base-Backbone interact. energy: -5.228
local terms energy: -523.197891
where:
bonds (distance) C4'-P energy: -116.730
bonds (distance) P-C4' energy: -130.949
flat angles C4'-P-C4' energy: -122.360
flat angles P-C4'-P energy: -73.143
tors. eta vs tors. theta energy: -80.016
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: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -898.742604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.742604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.742604 (E_RNA)
where:
Base-Base interactions energy: -463.063
where: short stacking energy: -233.937
Base-Backbone interact. energy: 3.883
local terms energy: -439.562021
where:
bonds (distance) C4'-P energy: -117.546
bonds (distance) P-C4' energy: -125.925
flat angles C4'-P-C4' energy: -97.285
flat angles P-C4'-P energy: -85.854
tors. eta vs tors. theta energy: -12.952
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: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -840.580458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.580458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.580458 (E_RNA)
where:
Base-Base interactions energy: -443.656
where: short stacking energy: -231.741
Base-Backbone interact. energy: 2.265
local terms energy: -399.188866
where:
bonds (distance) C4'-P energy: -110.459
bonds (distance) P-C4' energy: -122.767
flat angles C4'-P-C4' energy: -115.681
flat angles P-C4'-P energy: -64.501
tors. eta vs tors. theta energy: 14.218
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: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2686.854957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.854957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.854957 (E_RNA)
where:
Base-Base interactions energy: -1877.880
where: short stacking energy: -800.792
Base-Backbone interact. energy: -1.842
local terms energy: -807.133094
where:
bonds (distance) C4'-P energy: -152.204
bonds (distance) P-C4' energy: -155.741
flat angles C4'-P-C4' energy: -171.187
flat angles P-C4'-P energy: -107.989
tors. eta vs tors. theta energy: -220.012
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: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2607.222385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.222385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.222385 (E_RNA)
where:
Base-Base interactions energy: -1783.802
where: short stacking energy: -791.789
Base-Backbone interact. energy: -1.032
local terms energy: -822.388129
where:
bonds (distance) C4'-P energy: -154.114
bonds (distance) P-C4' energy: -121.705
flat angles C4'-P-C4' energy: -173.849
flat angles P-C4'-P energy: -114.058
tors. eta vs tors. theta energy: -258.663
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: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2459.476517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.476517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.476517 (E_RNA)
where:
Base-Base interactions energy: -1680.960
where: short stacking energy: -735.554
Base-Backbone interact. energy: -3.066
local terms energy: -775.450815
where:
bonds (distance) C4'-P energy: -148.113
bonds (distance) P-C4' energy: -131.619
flat angles C4'-P-C4' energy: -163.251
flat angles P-C4'-P energy: -110.281
tors. eta vs tors. theta energy: -222.187
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: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2410.865969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.865969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.865969 (E_RNA)
where:
Base-Base interactions energy: -1647.796
where: short stacking energy: -719.705
Base-Backbone interact. energy: -1.698
local terms energy: -761.372249
where:
bonds (distance) C4'-P energy: -134.593
bonds (distance) P-C4' energy: -132.452
flat angles C4'-P-C4' energy: -166.329
flat angles P-C4'-P energy: -107.948
tors. eta vs tors. theta energy: -220.051
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: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2222.855226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.855226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.855226 (E_RNA)
where:
Base-Base interactions energy: -1544.072
where: short stacking energy: -670.441
Base-Backbone interact. energy: 0.075
local terms energy: -678.858199
where:
bonds (distance) C4'-P energy: -127.779
bonds (distance) P-C4' energy: -129.470
flat angles C4'-P-C4' energy: -135.559
flat angles P-C4'-P energy: -105.585
tors. eta vs tors. theta energy: -180.465
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: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2134.109054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.109054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.109054 (E_RNA)
where:
Base-Base interactions energy: -1487.249
where: short stacking energy: -641.283
Base-Backbone interact. energy: -2.229
local terms energy: -644.631152
where:
bonds (distance) C4'-P energy: -125.043
bonds (distance) P-C4' energy: -119.872
flat angles C4'-P-C4' energy: -144.837
flat angles P-C4'-P energy: -78.149
tors. eta vs tors. theta energy: -176.731
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: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1654.018243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.018243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.018243 (E_RNA)
where:
Base-Base interactions energy: -1086.194
where: short stacking energy: -506.048
Base-Backbone interact. energy: -0.755
local terms energy: -567.069606
where:
bonds (distance) C4'-P energy: -108.220
bonds (distance) P-C4' energy: -140.618
flat angles C4'-P-C4' energy: -136.832
flat angles P-C4'-P energy: -69.090
tors. eta vs tors. theta energy: -112.309
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: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1395.992197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.992197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.992197 (E_RNA)
where:
Base-Base interactions energy: -875.789
where: short stacking energy: -386.321
Base-Backbone interact. energy: 3.218
local terms energy: -523.421086
where:
bonds (distance) C4'-P energy: -129.714
bonds (distance) P-C4' energy: -131.576
flat angles C4'-P-C4' energy: -125.599
flat angles P-C4'-P energy: -59.667
tors. eta vs tors. theta energy: -76.864
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: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1012.944184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.944184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.944184 (E_RNA)
where:
Base-Base interactions energy: -542.552
where: short stacking energy: -279.481
Base-Backbone interact. energy: -1.961
local terms energy: -468.431037
where:
bonds (distance) C4'-P energy: -111.677
bonds (distance) P-C4' energy: -137.773
flat angles C4'-P-C4' energy: -121.297
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: -47.384
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: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -850.783768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.783768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.783768 (E_RNA)
where:
Base-Base interactions energy: -439.086
where: short stacking energy: -224.607
Base-Backbone interact. energy: 3.651
local terms energy: -415.348524
where:
bonds (distance) C4'-P energy: -101.062
bonds (distance) P-C4' energy: -125.436
flat angles C4'-P-C4' energy: -112.786
flat angles P-C4'-P energy: -60.113
tors. eta vs tors. theta energy: -15.951
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: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2678.604498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.604498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.604498 (E_RNA)
where:
Base-Base interactions energy: -1885.280
where: short stacking energy: -785.792
Base-Backbone interact. energy: -2.927
local terms energy: -790.397149
where:
bonds (distance) C4'-P energy: -153.260
bonds (distance) P-C4' energy: -136.782
flat angles C4'-P-C4' energy: -165.610
flat angles P-C4'-P energy: -119.294
tors. eta vs tors. theta energy: -215.451
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: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2596.571341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.571341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.571341 (E_RNA)
where:
Base-Base interactions energy: -1784.392
where: short stacking energy: -766.468
Base-Backbone interact. energy: -3.908
local terms energy: -808.271469
where:
bonds (distance) C4'-P energy: -139.619
bonds (distance) P-C4' energy: -142.294
flat angles C4'-P-C4' energy: -158.770
flat angles P-C4'-P energy: -125.512
tors. eta vs tors. theta energy: -242.076
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: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2439.874291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.874291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.874291 (E_RNA)
where:
Base-Base interactions energy: -1659.551
where: short stacking energy: -713.189
Base-Backbone interact. energy: -0.297
local terms energy: -780.026198
where:
bonds (distance) C4'-P energy: -148.758
bonds (distance) P-C4' energy: -153.306
flat angles C4'-P-C4' energy: -155.857
flat angles P-C4'-P energy: -110.940
tors. eta vs tors. theta energy: -211.166
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: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2425.521648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.521648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.521648 (E_RNA)
where:
Base-Base interactions energy: -1678.345
where: short stacking energy: -750.016
Base-Backbone interact. energy: -4.325
local terms energy: -742.851115
where:
bonds (distance) C4'-P energy: -127.101
bonds (distance) P-C4' energy: -127.033
flat angles C4'-P-C4' energy: -152.101
flat angles P-C4'-P energy: -110.506
tors. eta vs tors. theta energy: -226.110
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: 439
Temperature: 1.100000
Total energy: -2191.453383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.453383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.453383 (E_RNA)
where:
Base-Base interactions energy: -1535.722
where: short stacking energy: -620.211
Base-Backbone interact. energy: 1.308
local terms energy: -657.039350
where:
bonds (distance) C4'-P energy: -132.826
bonds (distance) P-C4' energy: -132.567
flat angles C4'-P-C4' energy: -129.187
flat angles P-C4'-P energy: -96.366
tors. eta vs tors. theta energy: -166.093
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: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2112.469713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.469713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.469713 (E_RNA)
where:
Base-Base interactions energy: -1419.719
where: short stacking energy: -614.580
Base-Backbone interact. energy: -2.897
local terms energy: -689.852856
where:
bonds (distance) C4'-P energy: -121.527
bonds (distance) P-C4' energy: -139.718
flat angles C4'-P-C4' energy: -159.266
flat angles P-C4'-P energy: -85.856
tors. eta vs tors. theta energy: -183.486
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: 7, replica: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1678.791802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.791802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.791802 (E_RNA)
where:
Base-Base interactions energy: -1122.056
where: short stacking energy: -500.015
Base-Backbone interact. energy: 3.131
local terms energy: -559.867134
where:
bonds (distance) C4'-P energy: -119.208
bonds (distance) P-C4' energy: -123.634
flat angles C4'-P-C4' energy: -136.151
flat angles P-C4'-P energy: -82.472
tors. eta vs tors. theta energy: -98.402
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: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1384.319009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.319009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.319009 (E_RNA)
where:
Base-Base interactions energy: -874.978
where: short stacking energy: -404.829
Base-Backbone interact. energy: -2.952
local terms energy: -506.388809
where:
bonds (distance) C4'-P energy: -105.205
bonds (distance) P-C4' energy: -124.218
flat angles C4'-P-C4' energy: -131.740
flat angles P-C4'-P energy: -71.810
tors. eta vs tors. theta energy: -73.416
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: 439
Temperature: 1.300000
Total energy: -1013.582632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.582632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.582632 (E_RNA)
where:
Base-Base interactions energy: -570.700
where: short stacking energy: -275.209
Base-Backbone interact. energy: -2.173
local terms energy: -440.709778
where:
bonds (distance) C4'-P energy: -112.559
bonds (distance) P-C4' energy: -135.582
flat angles C4'-P-C4' energy: -115.940
flat angles P-C4'-P energy: -56.864
tors. eta vs tors. theta energy: -19.764
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: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -835.507766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.507766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.507766 (E_RNA)
where:
Base-Base interactions energy: -423.415
where: short stacking energy: -229.871
Base-Backbone interact. energy: 4.071
local terms energy: -416.163617
where:
bonds (distance) C4'-P energy: -132.958
bonds (distance) P-C4' energy: -131.029
flat angles C4'-P-C4' energy: -89.004
flat angles P-C4'-P energy: -62.884
tors. eta vs tors. theta energy: -0.289
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: 440
Temperature: 0.900000
Total energy: -2679.961212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.961212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.961212 (E_RNA)
where:
Base-Base interactions energy: -1884.416
where: short stacking energy: -787.003
Base-Backbone interact. energy: -3.588
local terms energy: -791.956847
where:
bonds (distance) C4'-P energy: -137.670
bonds (distance) P-C4' energy: -143.055
flat angles C4'-P-C4' energy: -159.853
flat angles P-C4'-P energy: -127.346
tors. eta vs tors. theta energy: -224.033
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: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2624.523009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.523009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.523009 (E_RNA)
where:
Base-Base interactions energy: -1804.329
where: short stacking energy: -797.813
Base-Backbone interact. energy: -1.019
local terms energy: -819.174442
where:
bonds (distance) C4'-P energy: -136.977
bonds (distance) P-C4' energy: -154.187
flat angles C4'-P-C4' energy: -162.050
flat angles P-C4'-P energy: -114.498
tors. eta vs tors. theta energy: -251.462
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: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2419.106219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.106219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.106219 (E_RNA)
where:
Base-Base interactions energy: -1664.980
where: short stacking energy: -732.342
Base-Backbone interact. energy: -0.043
local terms energy: -754.082864
where:
bonds (distance) C4'-P energy: -135.476
bonds (distance) P-C4' energy: -141.566
flat angles C4'-P-C4' energy: -158.243
flat angles P-C4'-P energy: -99.388
tors. eta vs tors. theta energy: -219.410
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: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2396.891968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.891968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.891968 (E_RNA)
where:
Base-Base interactions energy: -1679.493
where: short stacking energy: -723.239
Base-Backbone interact. energy: -1.985
local terms energy: -715.413534
where:
bonds (distance) C4'-P energy: -133.686
bonds (distance) P-C4' energy: -116.153
flat angles C4'-P-C4' energy: -152.245
flat angles P-C4'-P energy: -93.076
tors. eta vs tors. theta energy: -220.254
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: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2221.533241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.533241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.533241 (E_RNA)
where:
Base-Base interactions energy: -1526.248
where: short stacking energy: -646.660
Base-Backbone interact. energy: -2.811
local terms energy: -692.474178
where:
bonds (distance) C4'-P energy: -134.783
bonds (distance) P-C4' energy: -134.776
flat angles C4'-P-C4' energy: -138.047
flat angles P-C4'-P energy: -103.153
tors. eta vs tors. theta energy: -181.715
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: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2115.736822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.736822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.736822 (E_RNA)
where:
Base-Base interactions energy: -1455.753
where: short stacking energy: -646.453
Base-Backbone interact. energy: -2.420
local terms energy: -657.563414
where:
bonds (distance) C4'-P energy: -130.216
bonds (distance) P-C4' energy: -122.315
flat angles C4'-P-C4' energy: -142.510
flat angles P-C4'-P energy: -98.279
tors. eta vs tors. theta energy: -164.244
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: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1732.693636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.693636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.693636 (E_RNA)
where:
Base-Base interactions energy: -1122.093
where: short stacking energy: -491.341
Base-Backbone interact. energy: 1.043
local terms energy: -611.643800
where:
bonds (distance) C4'-P energy: -117.236
bonds (distance) P-C4' energy: -147.668
flat angles C4'-P-C4' energy: -133.081
flat angles P-C4'-P energy: -77.067
tors. eta vs tors. theta energy: -136.592
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: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1439.281489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.281489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.281489 (E_RNA)
where:
Base-Base interactions energy: -912.342
where: short stacking energy: -411.681
Base-Backbone interact. energy: -2.883
local terms energy: -524.056556
where:
bonds (distance) C4'-P energy: -104.612
bonds (distance) P-C4' energy: -130.499
flat angles C4'-P-C4' energy: -114.087
flat angles P-C4'-P energy: -83.584
tors. eta vs tors. theta energy: -91.274
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: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1019.356735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.356735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.356735 (E_RNA)
where:
Base-Base interactions energy: -557.471
where: short stacking energy: -320.244
Base-Backbone interact. energy: 3.309
local terms energy: -465.195410
where:
bonds (distance) C4'-P energy: -110.313
bonds (distance) P-C4' energy: -129.955
flat angles C4'-P-C4' energy: -114.271
flat angles P-C4'-P energy: -69.693
tors. eta vs tors. theta energy: -40.964
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: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -787.638243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.638243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.638243 (E_RNA)
where:
Base-Base interactions energy: -385.487
where: short stacking energy: -222.131
Base-Backbone interact. energy: 1.024
local terms energy: -403.174403
where:
bonds (distance) C4'-P energy: -118.734
bonds (distance) P-C4' energy: -130.400
flat angles C4'-P-C4' energy: -111.022
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: 6.064
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: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2686.744503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.744503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.744503 (E_RNA)
where:
Base-Base interactions energy: -1899.127
where: short stacking energy: -777.948
Base-Backbone interact. energy: -2.317
local terms energy: -785.300228
where:
bonds (distance) C4'-P energy: -157.713
bonds (distance) P-C4' energy: -146.322
flat angles C4'-P-C4' energy: -169.934
flat angles P-C4'-P energy: -92.714
tors. eta vs tors. theta energy: -218.617
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: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2602.989834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.989834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.989834 (E_RNA)
where:
Base-Base interactions energy: -1782.107
where: short stacking energy: -784.744
Base-Backbone interact. energy: -2.255
local terms energy: -818.627861
where:
bonds (distance) C4'-P energy: -139.254
bonds (distance) P-C4' energy: -138.877
flat angles C4'-P-C4' energy: -176.605
flat angles P-C4'-P energy: -116.348
tors. eta vs tors. theta energy: -247.543
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: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2433.233158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.233158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.233158 (E_RNA)
where:
Base-Base interactions energy: -1662.894
where: short stacking energy: -736.831
Base-Backbone interact. energy: -3.340
local terms energy: -766.999923
where:
bonds (distance) C4'-P energy: -142.082
bonds (distance) P-C4' energy: -139.151
flat angles C4'-P-C4' energy: -172.469
flat angles P-C4'-P energy: -99.556
tors. eta vs tors. theta energy: -213.741
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: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2432.250476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.250476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.250476 (E_RNA)
where:
Base-Base interactions energy: -1679.586
where: short stacking energy: -719.361
Base-Backbone interact. energy: -1.671
local terms energy: -750.993650
where:
bonds (distance) C4'-P energy: -131.257
bonds (distance) P-C4' energy: -147.698
flat angles C4'-P-C4' energy: -161.134
flat angles P-C4'-P energy: -106.011
tors. eta vs tors. theta energy: -204.893
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: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2208.362471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.362471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.362471 (E_RNA)
where:
Base-Base interactions energy: -1516.151
where: short stacking energy: -656.373
Base-Backbone interact. energy: -3.680
local terms energy: -688.531268
where:
bonds (distance) C4'-P energy: -132.797
bonds (distance) P-C4' energy: -129.048
flat angles C4'-P-C4' energy: -150.511
flat angles P-C4'-P energy: -99.235
tors. eta vs tors. theta energy: -176.940
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: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2093.934437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.934437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.934437 (E_RNA)
where:
Base-Base interactions energy: -1423.567
where: short stacking energy: -623.846
Base-Backbone interact. energy: -2.976
local terms energy: -667.391954
where:
bonds (distance) C4'-P energy: -115.365
bonds (distance) P-C4' energy: -133.805
flat angles C4'-P-C4' energy: -147.740
flat angles P-C4'-P energy: -95.283
tors. eta vs tors. theta energy: -175.199
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: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1752.412881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.412881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.412881 (E_RNA)
where:
Base-Base interactions energy: -1156.189
where: short stacking energy: -543.277
Base-Backbone interact. energy: -3.434
local terms energy: -592.789896
where:
bonds (distance) C4'-P energy: -130.436
bonds (distance) P-C4' energy: -122.161
flat angles C4'-P-C4' energy: -122.839
flat angles P-C4'-P energy: -90.248
tors. eta vs tors. theta energy: -127.107
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: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1499.678246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.678246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.678246 (E_RNA)
where:
Base-Base interactions energy: -952.033
where: short stacking energy: -435.950
Base-Backbone interact. energy: -3.427
local terms energy: -544.217798
where:
bonds (distance) C4'-P energy: -119.362
bonds (distance) P-C4' energy: -130.758
flat angles C4'-P-C4' energy: -107.387
flat angles P-C4'-P energy: -82.220
tors. eta vs tors. theta energy: -104.491
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: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -908.732256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.732256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.732256 (E_RNA)
where:
Base-Base interactions energy: -488.772
where: short stacking energy: -271.236
Base-Backbone interact. energy: -1.486
local terms energy: -418.474635
where:
bonds (distance) C4'-P energy: -106.751
bonds (distance) P-C4' energy: -113.778
flat angles C4'-P-C4' energy: -115.427
flat angles P-C4'-P energy: -57.024
tors. eta vs tors. theta energy: -25.496
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: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -849.872233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.872233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.872233 (E_RNA)
where:
Base-Base interactions energy: -462.507
where: short stacking energy: -216.994
Base-Backbone interact. energy: 1.427
local terms energy: -388.791722
where:
bonds (distance) C4'-P energy: -129.217
bonds (distance) P-C4' energy: -99.604
flat angles C4'-P-C4' energy: -103.994
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -10.062
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: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2677.197836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.197836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.197836 (E_RNA)
where:
Base-Base interactions energy: -1893.595
where: short stacking energy: -775.946
Base-Backbone interact. energy: -2.048
local terms energy: -781.554284
where:
bonds (distance) C4'-P energy: -156.300
bonds (distance) P-C4' energy: -153.142
flat angles C4'-P-C4' energy: -151.389
flat angles P-C4'-P energy: -108.182
tors. eta vs tors. theta energy: -212.541
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: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2581.859953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.859953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.859953 (E_RNA)
where:
Base-Base interactions energy: -1766.577
where: short stacking energy: -772.780
Base-Backbone interact. energy: -2.883
local terms energy: -812.399628
where:
bonds (distance) C4'-P energy: -143.841
bonds (distance) P-C4' energy: -143.757
flat angles C4'-P-C4' energy: -165.506
flat angles P-C4'-P energy: -115.774
tors. eta vs tors. theta energy: -243.522
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: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2491.340707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.340707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.340707 (E_RNA)
where:
Base-Base interactions energy: -1730.609
where: short stacking energy: -766.485
Base-Backbone interact. energy: -2.361
local terms energy: -758.370585
where:
bonds (distance) C4'-P energy: -126.407
bonds (distance) P-C4' energy: -153.770
flat angles C4'-P-C4' energy: -159.930
flat angles P-C4'-P energy: -93.644
tors. eta vs tors. theta energy: -224.620
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: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2387.200126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.200126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.200126 (E_RNA)
where:
Base-Base interactions energy: -1617.980
where: short stacking energy: -703.033
Base-Backbone interact. energy: -3.136
local terms energy: -766.084428
where:
bonds (distance) C4'-P energy: -141.586
bonds (distance) P-C4' energy: -134.483
flat angles C4'-P-C4' energy: -174.910
flat angles P-C4'-P energy: -98.448
tors. eta vs tors. theta energy: -216.657
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: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2182.568277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.568277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.568277 (E_RNA)
where:
Base-Base interactions energy: -1527.469
where: short stacking energy: -651.613
Base-Backbone interact. energy: 3.675
local terms energy: -658.774397
where:
bonds (distance) C4'-P energy: -128.724
bonds (distance) P-C4' energy: -119.213
flat angles C4'-P-C4' energy: -144.376
flat angles P-C4'-P energy: -98.737
tors. eta vs tors. theta energy: -167.724
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: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2119.473817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.473817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.473817 (E_RNA)
where:
Base-Base interactions energy: -1458.361
where: short stacking energy: -648.545
Base-Backbone interact. energy: -2.537
local terms energy: -658.575902
where:
bonds (distance) C4'-P energy: -116.891
bonds (distance) P-C4' energy: -121.222
flat angles C4'-P-C4' energy: -158.466
flat angles P-C4'-P energy: -84.850
tors. eta vs tors. theta energy: -177.147
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: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1740.087722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.087722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.087722 (E_RNA)
where:
Base-Base interactions energy: -1128.493
where: short stacking energy: -506.263
Base-Backbone interact. energy: -4.422
local terms energy: -607.172309
where:
bonds (distance) C4'-P energy: -107.357
bonds (distance) P-C4' energy: -129.762
flat angles C4'-P-C4' energy: -132.695
flat angles P-C4'-P energy: -93.874
tors. eta vs tors. theta energy: -143.485
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: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1526.749598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.749598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.749598 (E_RNA)
where:
Base-Base interactions energy: -970.882
where: short stacking energy: -454.792
Base-Backbone interact. energy: -2.691
local terms energy: -553.176915
where:
bonds (distance) C4'-P energy: -135.749
bonds (distance) P-C4' energy: -122.924
flat angles C4'-P-C4' energy: -128.272
flat angles P-C4'-P energy: -72.111
tors. eta vs tors. theta energy: -94.121
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: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -909.524458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.524458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.524458 (E_RNA)
where:
Base-Base interactions energy: -505.234
where: short stacking energy: -279.110
Base-Backbone interact. energy: -0.434
local terms energy: -403.856383
where:
bonds (distance) C4'-P energy: -123.357
bonds (distance) P-C4' energy: -112.838
flat angles C4'-P-C4' energy: -103.922
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -23.405
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: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -818.059122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.059122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.059122 (E_RNA)
where:
Base-Base interactions energy: -453.332
where: short stacking energy: -241.837
Base-Backbone interact. energy: 0.158
local terms energy: -364.884803
where:
bonds (distance) C4'-P energy: -100.892
bonds (distance) P-C4' energy: -112.982
flat angles C4'-P-C4' energy: -114.438
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: 6.024
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: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2676.340941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.340941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.340941 (E_RNA)
where:
Base-Base interactions energy: -1904.929
where: short stacking energy: -766.646
Base-Backbone interact. energy: -1.494
local terms energy: -769.918291
where:
bonds (distance) C4'-P energy: -143.310
bonds (distance) P-C4' energy: -133.351
flat angles C4'-P-C4' energy: -171.268
flat angles P-C4'-P energy: -112.143
tors. eta vs tors. theta energy: -209.847
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: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2606.512635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.512635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.512635 (E_RNA)
where:
Base-Base interactions energy: -1805.782
where: short stacking energy: -809.477
Base-Backbone interact. energy: 0.904
local terms energy: -801.635458
where:
bonds (distance) C4'-P energy: -144.738
bonds (distance) P-C4' energy: -140.286
flat angles C4'-P-C4' energy: -164.160
flat angles P-C4'-P energy: -113.217
tors. eta vs tors. theta energy: -239.235
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: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2544.871991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.871991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.871991 (E_RNA)
where:
Base-Base interactions energy: -1773.279
where: short stacking energy: -761.032
Base-Backbone interact. energy: -3.777
local terms energy: -767.816368
where:
bonds (distance) C4'-P energy: -135.789
bonds (distance) P-C4' energy: -140.115
flat angles C4'-P-C4' energy: -156.360
flat angles P-C4'-P energy: -117.702
tors. eta vs tors. theta energy: -217.849
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: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2354.990809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.990809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.990809 (E_RNA)
where:
Base-Base interactions energy: -1609.455
where: short stacking energy: -682.784
Base-Backbone interact. energy: 1.113
local terms energy: -746.649095
where:
bonds (distance) C4'-P energy: -122.414
bonds (distance) P-C4' energy: -147.927
flat angles C4'-P-C4' energy: -159.383
flat angles P-C4'-P energy: -107.536
tors. eta vs tors. theta energy: -209.390
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: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2129.709929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.709929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.709929 (E_RNA)
where:
Base-Base interactions energy: -1427.444
where: short stacking energy: -610.495
Base-Backbone interact. energy: -2.765
local terms energy: -699.500901
where:
bonds (distance) C4'-P energy: -135.040
bonds (distance) P-C4' energy: -133.782
flat angles C4'-P-C4' energy: -156.361
flat angles P-C4'-P energy: -104.534
tors. eta vs tors. theta energy: -169.784
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: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2096.793524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.793524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.793524 (E_RNA)
where:
Base-Base interactions energy: -1441.990
where: short stacking energy: -628.222
Base-Backbone interact. energy: -2.099
local terms energy: -652.704521
where:
bonds (distance) C4'-P energy: -122.396
bonds (distance) P-C4' energy: -125.212
flat angles C4'-P-C4' energy: -138.299
flat angles P-C4'-P energy: -106.514
tors. eta vs tors. theta energy: -160.284
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: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1788.596571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.596571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.596571 (E_RNA)
where:
Base-Base interactions energy: -1143.087
where: short stacking energy: -511.957
Base-Backbone interact. energy: -1.259
local terms energy: -644.250313
where:
bonds (distance) C4'-P energy: -132.129
bonds (distance) P-C4' energy: -131.976
flat angles C4'-P-C4' energy: -137.907
flat angles P-C4'-P energy: -105.688
tors. eta vs tors. theta energy: -136.551
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: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1467.421996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.421996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.421996 (E_RNA)
where:
Base-Base interactions energy: -967.807
where: short stacking energy: -412.996
Base-Backbone interact. energy: -1.668
local terms energy: -497.947290
where:
bonds (distance) C4'-P energy: -99.817
bonds (distance) P-C4' energy: -121.047
flat angles C4'-P-C4' energy: -125.925
flat angles P-C4'-P energy: -59.047
tors. eta vs tors. theta energy: -92.112
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: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -902.293900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.293900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.293900 (E_RNA)
where:
Base-Base interactions energy: -506.445
where: short stacking energy: -249.251
Base-Backbone interact. energy: 5.477
local terms energy: -401.325644
where:
bonds (distance) C4'-P energy: -117.649
bonds (distance) P-C4' energy: -109.457
flat angles C4'-P-C4' energy: -115.226
flat angles P-C4'-P energy: -61.626
tors. eta vs tors. theta energy: 2.634
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: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -815.525080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.525080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.525080 (E_RNA)
where:
Base-Base interactions energy: -436.255
where: short stacking energy: -229.436
Base-Backbone interact. energy: -1.813
local terms energy: -377.456991
where:
bonds (distance) C4'-P energy: -113.867
bonds (distance) P-C4' energy: -120.220
flat angles C4'-P-C4' energy: -95.523
flat angles P-C4'-P energy: -53.068
tors. eta vs tors. theta energy: 5.221
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: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2651.763583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.763583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.763583 (E_RNA)
where:
Base-Base interactions energy: -1892.437
where: short stacking energy: -781.515
Base-Backbone interact. energy: 1.209
local terms energy: -760.536400
where:
bonds (distance) C4'-P energy: -130.502
bonds (distance) P-C4' energy: -142.750
flat angles C4'-P-C4' energy: -161.889
flat angles P-C4'-P energy: -106.485
tors. eta vs tors. theta energy: -218.911
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: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2612.257464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.257464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.257464 (E_RNA)
where:
Base-Base interactions energy: -1812.155
where: short stacking energy: -788.677
Base-Backbone interact. energy: -2.767
local terms energy: -797.335051
where:
bonds (distance) C4'-P energy: -146.239
bonds (distance) P-C4' energy: -129.458
flat angles C4'-P-C4' energy: -169.899
flat angles P-C4'-P energy: -106.953
tors. eta vs tors. theta energy: -244.787
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: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2501.839771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.839771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.839771 (E_RNA)
where:
Base-Base interactions energy: -1769.834
where: short stacking energy: -726.503
Base-Backbone interact. energy: -3.449
local terms energy: -728.557394
where:
bonds (distance) C4'-P energy: -128.168
bonds (distance) P-C4' energy: -126.044
flat angles C4'-P-C4' energy: -154.764
flat angles P-C4'-P energy: -100.959
tors. eta vs tors. theta energy: -218.622
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: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2394.958990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.958990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.958990 (E_RNA)
where:
Base-Base interactions energy: -1638.862
where: short stacking energy: -736.460
Base-Backbone interact. energy: -3.350
local terms energy: -752.746677
where:
bonds (distance) C4'-P energy: -132.001
bonds (distance) P-C4' energy: -139.304
flat angles C4'-P-C4' energy: -161.300
flat angles P-C4'-P energy: -107.309
tors. eta vs tors. theta energy: -212.833
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: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2136.257026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.257026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.257026 (E_RNA)
where:
Base-Base interactions energy: -1443.347
where: short stacking energy: -626.180
Base-Backbone interact. energy: -3.115
local terms energy: -689.794931
where:
bonds (distance) C4'-P energy: -123.673
bonds (distance) P-C4' energy: -137.913
flat angles C4'-P-C4' energy: -156.049
flat angles P-C4'-P energy: -102.969
tors. eta vs tors. theta energy: -169.190
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: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2096.874103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.874103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.874103 (E_RNA)
where:
Base-Base interactions energy: -1436.447
where: short stacking energy: -618.532
Base-Backbone interact. energy: -1.390
local terms energy: -659.037458
where:
bonds (distance) C4'-P energy: -112.530
bonds (distance) P-C4' energy: -132.968
flat angles C4'-P-C4' energy: -140.503
flat angles P-C4'-P energy: -90.207
tors. eta vs tors. theta energy: -182.831
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: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1769.875784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.875784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.875784 (E_RNA)
where:
Base-Base interactions energy: -1174.202
where: short stacking energy: -512.365
Base-Backbone interact. energy: -0.612
local terms energy: -595.061161
where:
bonds (distance) C4'-P energy: -127.059
bonds (distance) P-C4' energy: -117.787
flat angles C4'-P-C4' energy: -136.971
flat angles P-C4'-P energy: -83.022
tors. eta vs tors. theta energy: -130.222
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: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1518.072427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.072427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.072427 (E_RNA)
where:
Base-Base interactions energy: -992.019
where: short stacking energy: -475.504
Base-Backbone interact. energy: 1.633
local terms energy: -527.686408
where:
bonds (distance) C4'-P energy: -121.015
bonds (distance) P-C4' energy: -105.848
flat angles C4'-P-C4' energy: -131.839
flat angles P-C4'-P energy: -75.153
tors. eta vs tors. theta energy: -93.831
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: 9, replica: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -854.955190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.955190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.955190 (E_RNA)
where:
Base-Base interactions energy: -420.506
where: short stacking energy: -238.437
Base-Backbone interact. energy: -2.366
local terms energy: -432.083320
where:
bonds (distance) C4'-P energy: -138.246
bonds (distance) P-C4' energy: -130.211
flat angles C4'-P-C4' energy: -108.826
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: 6.077
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: 4
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -943.575265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.575265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.575265 (E_RNA)
where:
Base-Base interactions energy: -504.994
where: short stacking energy: -280.907
Base-Backbone interact. energy: 5.278
local terms energy: -443.859209
where:
bonds (distance) C4'-P energy: -127.761
bonds (distance) P-C4' energy: -116.203
flat angles C4'-P-C4' energy: -115.433
flat angles P-C4'-P energy: -76.462
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: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2645.444319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.444319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.444319 (E_RNA)
where:
Base-Base interactions energy: -1852.197
where: short stacking energy: -754.017
Base-Backbone interact. energy: -2.125
local terms energy: -791.121826
where:
bonds (distance) C4'-P energy: -147.717
bonds (distance) P-C4' energy: -154.692
flat angles C4'-P-C4' energy: -165.311
flat angles P-C4'-P energy: -111.323
tors. eta vs tors. theta energy: -212.079
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: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2607.141370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.141370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.141370 (E_RNA)
where:
Base-Base interactions energy: -1798.813
where: short stacking energy: -788.825
Base-Backbone interact. energy: -1.930
local terms energy: -806.397978
where:
bonds (distance) C4'-P energy: -139.077
bonds (distance) P-C4' energy: -142.223
flat angles C4'-P-C4' energy: -165.338
flat angles P-C4'-P energy: -108.615
tors. eta vs tors. theta energy: -251.145
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: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2506.313485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.313485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.313485 (E_RNA)
where:
Base-Base interactions energy: -1744.267
where: short stacking energy: -730.222
Base-Backbone interact. energy: -2.776
local terms energy: -759.270581
where:
bonds (distance) C4'-P energy: -134.984
bonds (distance) P-C4' energy: -138.718
flat angles C4'-P-C4' energy: -153.798
flat angles P-C4'-P energy: -117.565
tors. eta vs tors. theta energy: -214.206
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: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2392.026401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.026401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.026401 (E_RNA)
where:
Base-Base interactions energy: -1653.452
where: short stacking energy: -730.037
Base-Backbone interact. energy: -1.758
local terms energy: -736.816430
where:
bonds (distance) C4'-P energy: -120.215
bonds (distance) P-C4' energy: -144.732
flat angles C4'-P-C4' energy: -152.129
flat angles P-C4'-P energy: -104.867
tors. eta vs tors. theta energy: -214.874
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: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2189.045178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.045178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.045178 (E_RNA)
where:
Base-Base interactions energy: -1518.861
where: short stacking energy: -634.083
Base-Backbone interact. energy: -0.067
local terms energy: -670.116472
where:
bonds (distance) C4'-P energy: -126.168
bonds (distance) P-C4' energy: -129.986
flat angles C4'-P-C4' energy: -141.894
flat angles P-C4'-P energy: -95.981
tors. eta vs tors. theta energy: -176.088
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: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2060.333422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.333422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.333422 (E_RNA)
where:
Base-Base interactions energy: -1400.351
where: short stacking energy: -608.601
Base-Backbone interact. energy: -1.020
local terms energy: -658.961941
where:
bonds (distance) C4'-P energy: -113.499
bonds (distance) P-C4' energy: -126.899
flat angles C4'-P-C4' energy: -146.032
flat angles P-C4'-P energy: -97.656
tors. eta vs tors. theta energy: -174.876
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: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1785.758499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.758499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.758499 (E_RNA)
where:
Base-Base interactions energy: -1145.539
where: short stacking energy: -529.583
Base-Backbone interact. energy: 0.837
local terms energy: -641.056578
where:
bonds (distance) C4'-P energy: -131.606
bonds (distance) P-C4' energy: -137.974
flat angles C4'-P-C4' energy: -142.020
flat angles P-C4'-P energy: -85.394
tors. eta vs tors. theta energy: -144.062
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: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1470.786404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.786404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.786404 (E_RNA)
where:
Base-Base interactions energy: -959.466
where: short stacking energy: -435.036
Base-Backbone interact. energy: -0.543
local terms energy: -510.777643
where:
bonds (distance) C4'-P energy: -117.496
bonds (distance) P-C4' energy: -113.419
flat angles C4'-P-C4' energy: -107.439
flat angles P-C4'-P energy: -69.445
tors. eta vs tors. theta energy: -102.978
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: 445
Temperature: 1.300000
Total energy: -867.257313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.257313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.257313 (E_RNA)
where:
Base-Base interactions energy: -433.419
where: short stacking energy: -272.391
Base-Backbone interact. energy: 2.035
local terms energy: -435.873897
where:
bonds (distance) C4'-P energy: -108.240
bonds (distance) P-C4' energy: -126.836
flat angles C4'-P-C4' energy: -111.372
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: -31.548
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: 10, replica: 4
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -853.862595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.862595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.862595 (E_RNA)
where:
Base-Base interactions energy: -455.970
where: short stacking energy: -231.869
Base-Backbone interact. energy: -2.169
local terms energy: -395.723698
where:
bonds (distance) C4'-P energy: -116.684
bonds (distance) P-C4' energy: -130.455
flat angles C4'-P-C4' energy: -102.415
flat angles P-C4'-P energy: -58.686
tors. eta vs tors. theta energy: 12.516
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: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2658.998956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.998956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.998956 (E_RNA)
where:
Base-Base interactions energy: -1890.309
where: short stacking energy: -769.584
Base-Backbone interact. energy: -3.804
local terms energy: -764.885836
where:
bonds (distance) C4'-P energy: -136.309
bonds (distance) P-C4' energy: -149.981
flat angles C4'-P-C4' energy: -156.640
flat angles P-C4'-P energy: -97.958
tors. eta vs tors. theta energy: -223.998
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: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2587.239281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.239281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.239281 (E_RNA)
where:
Base-Base interactions energy: -1807.282
where: short stacking energy: -791.192
Base-Backbone interact. energy: -1.795
local terms energy: -778.162930
where:
bonds (distance) C4'-P energy: -126.217
bonds (distance) P-C4' energy: -141.121
flat angles C4'-P-C4' energy: -160.161
flat angles P-C4'-P energy: -110.870
tors. eta vs tors. theta energy: -239.794
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: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2517.156053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.156053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.156053 (E_RNA)
where:
Base-Base interactions energy: -1752.761
where: short stacking energy: -750.326
Base-Backbone interact. energy: -2.210
local terms energy: -762.185794
where:
bonds (distance) C4'-P energy: -139.524
bonds (distance) P-C4' energy: -121.083
flat angles C4'-P-C4' energy: -164.083
flat angles P-C4'-P energy: -113.118
tors. eta vs tors. theta energy: -224.377
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: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2328.074936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.074936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.074936 (E_RNA)
where:
Base-Base interactions energy: -1590.104
where: short stacking energy: -722.133
Base-Backbone interact. energy: 5.592
local terms energy: -743.563821
where:
bonds (distance) C4'-P energy: -134.886
bonds (distance) P-C4' energy: -137.617
flat angles C4'-P-C4' energy: -146.253
flat angles P-C4'-P energy: -108.550
tors. eta vs tors. theta energy: -216.258
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: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2168.796921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.796921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.796921 (E_RNA)
where:
Base-Base interactions energy: -1504.624
where: short stacking energy: -613.201
Base-Backbone interact. energy: -0.955
local terms energy: -663.217848
where:
bonds (distance) C4'-P energy: -134.343
bonds (distance) P-C4' energy: -112.115
flat angles C4'-P-C4' energy: -153.620
flat angles P-C4'-P energy: -90.153
tors. eta vs tors. theta energy: -172.986
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: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1998.718492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.718492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.718492 (E_RNA)
where:
Base-Base interactions energy: -1353.190
where: short stacking energy: -584.121
Base-Backbone interact. energy: 1.213
local terms energy: -646.741995
where:
bonds (distance) C4'-P energy: -108.013
bonds (distance) P-C4' energy: -143.577
flat angles C4'-P-C4' energy: -150.057
flat angles P-C4'-P energy: -89.957
tors. eta vs tors. theta energy: -155.139
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: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1794.735191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.735191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.735191 (E_RNA)
where:
Base-Base interactions energy: -1158.368
where: short stacking energy: -521.368
Base-Backbone interact. energy: -1.205
local terms energy: -635.161385
where:
bonds (distance) C4'-P energy: -135.051
bonds (distance) P-C4' energy: -119.685
flat angles C4'-P-C4' energy: -151.733
flat angles P-C4'-P energy: -81.852
tors. eta vs tors. theta energy: -146.839
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: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1453.259441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.259441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.259441 (E_RNA)
where:
Base-Base interactions energy: -940.996
where: short stacking energy: -417.693
Base-Backbone interact. energy: 3.354
local terms energy: -515.618085
where:
bonds (distance) C4'-P energy: -110.386
bonds (distance) P-C4' energy: -140.223
flat angles C4'-P-C4' energy: -126.260
flat angles P-C4'-P energy: -60.568
tors. eta vs tors. theta energy: -78.181
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: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -841.669482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.669482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.669482 (E_RNA)
where:
Base-Base interactions energy: -416.820
where: short stacking energy: -261.608
Base-Backbone interact. energy: -1.064
local terms energy: -423.785432
where:
bonds (distance) C4'-P energy: -120.699
bonds (distance) P-C4' energy: -134.920
flat angles C4'-P-C4' energy: -108.884
flat angles P-C4'-P energy: -46.703
tors. eta vs tors. theta energy: -12.580
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: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -826.334717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.334717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.334717 (E_RNA)
where:
Base-Base interactions energy: -442.992
where: short stacking energy: -226.121
Base-Backbone interact. energy: 6.110
local terms energy: -389.451833
where:
bonds (distance) C4'-P energy: -101.578
bonds (distance) P-C4' energy: -124.361
flat angles C4'-P-C4' energy: -101.780
flat angles P-C4'-P energy: -70.168
tors. eta vs tors. theta energy: 8.435
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: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2676.518669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.518669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.518669 (E_RNA)
where:
Base-Base interactions energy: -1857.390
where: short stacking energy: -761.405
Base-Backbone interact. energy: -3.790
local terms energy: -815.337703
where:
bonds (distance) C4'-P energy: -153.047
bonds (distance) P-C4' energy: -154.667
flat angles C4'-P-C4' energy: -173.471
flat angles P-C4'-P energy: -126.489
tors. eta vs tors. theta energy: -207.664
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: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2610.708882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.708882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.708882 (E_RNA)
where:
Base-Base interactions energy: -1807.918
where: short stacking energy: -805.908
Base-Backbone interact. energy: -1.525
local terms energy: -801.266268
where:
bonds (distance) C4'-P energy: -115.798
bonds (distance) P-C4' energy: -147.585
flat angles C4'-P-C4' energy: -178.535
flat angles P-C4'-P energy: -108.923
tors. eta vs tors. theta energy: -250.425
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: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2491.309278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.309278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.309278 (E_RNA)
where:
Base-Base interactions energy: -1731.104
where: short stacking energy: -722.179
Base-Backbone interact. energy: -1.894
local terms energy: -758.311180
where:
bonds (distance) C4'-P energy: -131.805
bonds (distance) P-C4' energy: -139.694
flat angles C4'-P-C4' energy: -173.468
flat angles P-C4'-P energy: -101.547
tors. eta vs tors. theta energy: -211.797
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: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2318.859695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.859695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.859695 (E_RNA)
where:
Base-Base interactions energy: -1605.668
where: short stacking energy: -721.963
Base-Backbone interact. energy: -1.555
local terms energy: -711.636940
where:
bonds (distance) C4'-P energy: -127.263
bonds (distance) P-C4' energy: -114.298
flat angles C4'-P-C4' energy: -159.333
flat angles P-C4'-P energy: -104.830
tors. eta vs tors. theta energy: -205.912
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: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2193.114278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.114278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.114278 (E_RNA)
where:
Base-Base interactions energy: -1513.744
where: short stacking energy: -629.300
Base-Backbone interact. energy: -4.261
local terms energy: -675.109180
where:
bonds (distance) C4'-P energy: -130.732
bonds (distance) P-C4' energy: -136.086
flat angles C4'-P-C4' energy: -148.104
flat angles P-C4'-P energy: -79.225
tors. eta vs tors. theta energy: -180.962
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: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1981.183518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.183518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.183518 (E_RNA)
where:
Base-Base interactions energy: -1353.645
where: short stacking energy: -594.805
Base-Backbone interact. energy: -1.869
local terms energy: -625.669347
where:
bonds (distance) C4'-P energy: -109.047
bonds (distance) P-C4' energy: -125.311
flat angles C4'-P-C4' energy: -147.108
flat angles P-C4'-P energy: -94.777
tors. eta vs tors. theta energy: -149.427
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: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1758.795184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.795184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.795184 (E_RNA)
where:
Base-Base interactions energy: -1171.735
where: short stacking energy: -525.742
Base-Backbone interact. energy: -2.204
local terms energy: -584.856590
where:
bonds (distance) C4'-P energy: -119.925
bonds (distance) P-C4' energy: -111.892
flat angles C4'-P-C4' energy: -122.336
flat angles P-C4'-P energy: -87.827
tors. eta vs tors. theta energy: -142.878
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: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1530.151919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.151919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.151919 (E_RNA)
where:
Base-Base interactions energy: -959.181
where: short stacking energy: -447.900
Base-Backbone interact. energy: 2.532
local terms energy: -573.502916
where:
bonds (distance) C4'-P energy: -120.972
bonds (distance) P-C4' energy: -141.738
flat angles C4'-P-C4' energy: -116.313
flat angles P-C4'-P energy: -78.157
tors. eta vs tors. theta energy: -116.323
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: 9, replica: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -860.247833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.247833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.247833 (E_RNA)
where:
Base-Base interactions energy: -445.590
where: short stacking energy: -264.972
Base-Backbone interact. energy: 6.394
local terms energy: -421.051998
where:
bonds (distance) C4'-P energy: -109.111
bonds (distance) P-C4' energy: -124.476
flat angles C4'-P-C4' energy: -98.016
flat angles P-C4'-P energy: -70.067
tors. eta vs tors. theta energy: -19.382
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: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -788.063596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.063596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.063596 (E_RNA)
where:
Base-Base interactions energy: -382.981
where: short stacking energy: -221.651
Base-Backbone interact. energy: 0.390
local terms energy: -405.472066
where:
bonds (distance) C4'-P energy: -119.230
bonds (distance) P-C4' energy: -133.554
flat angles C4'-P-C4' energy: -102.667
flat angles P-C4'-P energy: -54.818
tors. eta vs tors. theta energy: 4.796
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: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2653.397392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.397392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.397392 (E_RNA)
where:
Base-Base interactions energy: -1864.961
where: short stacking energy: -771.811
Base-Backbone interact. energy: -2.203
local terms energy: -786.233007
where:
bonds (distance) C4'-P energy: -143.454
bonds (distance) P-C4' energy: -144.715
flat angles C4'-P-C4' energy: -172.589
flat angles P-C4'-P energy: -104.416
tors. eta vs tors. theta energy: -221.060
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: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2587.502034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.502034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.502034 (E_RNA)
where:
Base-Base interactions energy: -1764.498
where: short stacking energy: -775.878
Base-Backbone interact. energy: -1.883
local terms energy: -821.121488
where:
bonds (distance) C4'-P energy: -133.589
bonds (distance) P-C4' energy: -154.666
flat angles C4'-P-C4' energy: -175.918
flat angles P-C4'-P energy: -119.463
tors. eta vs tors. theta energy: -237.486
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: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2510.516829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.516829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.516829 (E_RNA)
where:
Base-Base interactions energy: -1734.019
where: short stacking energy: -751.237
Base-Backbone interact. energy: -3.007
local terms energy: -773.490588
where:
bonds (distance) C4'-P energy: -137.437
bonds (distance) P-C4' energy: -129.295
flat angles C4'-P-C4' energy: -171.094
flat angles P-C4'-P energy: -114.349
tors. eta vs tors. theta energy: -221.315
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: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2356.474056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.474056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.474056 (E_RNA)
where:
Base-Base interactions energy: -1654.113
where: short stacking energy: -722.933
Base-Backbone interact. energy: 0.741
local terms energy: -703.101770
where:
bonds (distance) C4'-P energy: -134.615
bonds (distance) P-C4' energy: -125.313
flat angles C4'-P-C4' energy: -142.134
flat angles P-C4'-P energy: -86.344
tors. eta vs tors. theta energy: -214.696
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: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2170.476548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.476548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.476548 (E_RNA)
where:
Base-Base interactions energy: -1522.887
where: short stacking energy: -636.630
Base-Backbone interact. energy: -1.975
local terms energy: -645.614666
where:
bonds (distance) C4'-P energy: -110.421
bonds (distance) P-C4' energy: -134.345
flat angles C4'-P-C4' energy: -148.804
flat angles P-C4'-P energy: -94.946
tors. eta vs tors. theta energy: -157.099
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2071.255188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.255188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.255188 (E_RNA)
where:
Base-Base interactions energy: -1386.890
where: short stacking energy: -612.432
Base-Backbone interact. energy: -4.883
local terms energy: -679.482272
where:
bonds (distance) C4'-P energy: -128.805
bonds (distance) P-C4' energy: -142.772
flat angles C4'-P-C4' energy: -138.657
flat angles P-C4'-P energy: -99.607
tors. eta vs tors. theta energy: -169.641
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: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1778.830474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.830474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.830474 (E_RNA)
where:
Base-Base interactions energy: -1169.325
where: short stacking energy: -514.111
Base-Backbone interact. energy: -0.835
local terms energy: -608.670752
where:
bonds (distance) C4'-P energy: -118.810
bonds (distance) P-C4' energy: -107.606
flat angles C4'-P-C4' energy: -139.242
flat angles P-C4'-P energy: -102.519
tors. eta vs tors. theta energy: -140.495
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: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1534.879094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.879094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.879094 (E_RNA)
where:
Base-Base interactions energy: -975.114
where: short stacking energy: -438.631
Base-Backbone interact. energy: -0.781
local terms energy: -558.983833
where:
bonds (distance) C4'-P energy: -116.908
bonds (distance) P-C4' energy: -132.349
flat angles C4'-P-C4' energy: -128.917
flat angles P-C4'-P energy: -86.629
tors. eta vs tors. theta energy: -94.181
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: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -864.889055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.889055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.889055 (E_RNA)
where:
Base-Base interactions energy: -448.650
where: short stacking energy: -233.582
Base-Backbone interact. energy: 1.064
local terms energy: -417.302702
where:
bonds (distance) C4'-P energy: -115.234
bonds (distance) P-C4' energy: -124.985
flat angles C4'-P-C4' energy: -97.623
flat angles P-C4'-P energy: -65.936
tors. eta vs tors. theta energy: -13.524
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: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -791.185815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.185815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.185815 (E_RNA)
where:
Base-Base interactions energy: -404.495
where: short stacking energy: -223.460
Base-Backbone interact. energy: -1.440
local terms energy: -385.250795
where:
bonds (distance) C4'-P energy: -105.355
bonds (distance) P-C4' energy: -104.572
flat angles C4'-P-C4' energy: -112.101
flat angles P-C4'-P energy: -48.816
tors. eta vs tors. theta energy: -14.407
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: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2644.788633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.788633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.788633 (E_RNA)
where:
Base-Base interactions energy: -1865.780
where: short stacking energy: -747.658
Base-Backbone interact. energy: 4.029
local terms energy: -783.037626
where:
bonds (distance) C4'-P energy: -138.121
bonds (distance) P-C4' energy: -149.797
flat angles C4'-P-C4' energy: -172.229
flat angles P-C4'-P energy: -106.435
tors. eta vs tors. theta energy: -216.455
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: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2609.340555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.340555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.340555 (E_RNA)
where:
Base-Base interactions energy: -1808.704
where: short stacking energy: -811.679
Base-Backbone interact. energy: -0.439
local terms energy: -800.197461
where:
bonds (distance) C4'-P energy: -136.381
bonds (distance) P-C4' energy: -149.478
flat angles C4'-P-C4' energy: -159.266
flat angles P-C4'-P energy: -112.217
tors. eta vs tors. theta energy: -242.855
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: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2547.252197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.252197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.252197 (E_RNA)
where:
Base-Base interactions energy: -1765.670
where: short stacking energy: -783.945
Base-Backbone interact. energy: -2.624
local terms energy: -778.958621
where:
bonds (distance) C4'-P energy: -138.851
bonds (distance) P-C4' energy: -124.709
flat angles C4'-P-C4' energy: -172.695
flat angles P-C4'-P energy: -113.154
tors. eta vs tors. theta energy: -229.550
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: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2387.948611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.948611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.948611 (E_RNA)
where:
Base-Base interactions energy: -1639.214
where: short stacking energy: -698.762
Base-Backbone interact. energy: -4.912
local terms energy: -743.822266
where:
bonds (distance) C4'-P energy: -125.181
bonds (distance) P-C4' energy: -135.836
flat angles C4'-P-C4' energy: -155.515
flat angles P-C4'-P energy: -110.554
tors. eta vs tors. theta energy: -216.736
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: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2191.227001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.227001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.227001 (E_RNA)
where:
Base-Base interactions energy: -1488.542
where: short stacking energy: -624.559
Base-Backbone interact. energy: -2.858
local terms energy: -699.827327
where:
bonds (distance) C4'-P energy: -135.790
bonds (distance) P-C4' energy: -131.549
flat angles C4'-P-C4' energy: -152.372
flat angles P-C4'-P energy: -116.208
tors. eta vs tors. theta energy: -163.908
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: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2057.381082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.381082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.381082 (E_RNA)
where:
Base-Base interactions energy: -1402.728
where: short stacking energy: -590.941
Base-Backbone interact. energy: -0.734
local terms energy: -653.919232
where:
bonds (distance) C4'-P energy: -132.639
bonds (distance) P-C4' energy: -145.572
flat angles C4'-P-C4' energy: -138.476
flat angles P-C4'-P energy: -89.029
tors. eta vs tors. theta energy: -148.204
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: 449
Temperature: 1.200000
Total energy: -1732.890963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.890963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.890963 (E_RNA)
where:
Base-Base interactions energy: -1161.008
where: short stacking energy: -552.274
Base-Backbone interact. energy: 2.302
local terms energy: -574.185381
where:
bonds (distance) C4'-P energy: -109.500
bonds (distance) P-C4' energy: -136.070
flat angles C4'-P-C4' energy: -116.264
flat angles P-C4'-P energy: -67.401
tors. eta vs tors. theta energy: -144.949
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: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1516.700197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.700197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.700197 (E_RNA)
where:
Base-Base interactions energy: -982.111
where: short stacking energy: -424.042
Base-Backbone interact. energy: -2.542
local terms energy: -532.047230
where:
bonds (distance) C4'-P energy: -123.085
bonds (distance) P-C4' energy: -114.807
flat angles C4'-P-C4' energy: -121.600
flat angles P-C4'-P energy: -79.224
tors. eta vs tors. theta energy: -93.332
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: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -929.251823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.251823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.251823 (E_RNA)
where:
Base-Base interactions energy: -493.902
where: short stacking energy: -261.921
Base-Backbone interact. energy: 0.192
local terms energy: -435.542352
where:
bonds (distance) C4'-P energy: -114.719
bonds (distance) P-C4' energy: -122.112
flat angles C4'-P-C4' energy: -128.376
flat angles P-C4'-P energy: -60.072
tors. eta vs tors. theta energy: -10.262
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: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -783.143982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.143982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.143982 (E_RNA)
where:
Base-Base interactions energy: -395.608
where: short stacking energy: -222.013
Base-Backbone interact. energy: -0.968
local terms energy: -386.568746
where:
bonds (distance) C4'-P energy: -105.316
bonds (distance) P-C4' energy: -103.976
flat angles C4'-P-C4' energy: -109.629
flat angles P-C4'-P energy: -62.326
tors. eta vs tors. theta energy: -5.322
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: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2652.292601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.292601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.292601 (E_RNA)
where:
Base-Base interactions energy: -1858.730
where: short stacking energy: -758.889
Base-Backbone interact. energy: -5.102
local terms energy: -788.460505
where:
bonds (distance) C4'-P energy: -132.323
bonds (distance) P-C4' energy: -155.586
flat angles C4'-P-C4' energy: -172.522
flat angles P-C4'-P energy: -114.894
tors. eta vs tors. theta energy: -213.136
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: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2612.505648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.505648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.505648 (E_RNA)
where:
Base-Base interactions energy: -1811.254
where: short stacking energy: -824.515
Base-Backbone interact. energy: 0.226
local terms energy: -801.477154
where:
bonds (distance) C4'-P energy: -143.090
bonds (distance) P-C4' energy: -135.305
flat angles C4'-P-C4' energy: -166.381
flat angles P-C4'-P energy: -107.471
tors. eta vs tors. theta energy: -249.231
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: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2535.050957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.050957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.050957 (E_RNA)
where:
Base-Base interactions energy: -1746.728
where: short stacking energy: -738.850
Base-Backbone interact. energy: -2.595
local terms energy: -785.727243
where:
bonds (distance) C4'-P energy: -130.675
bonds (distance) P-C4' energy: -147.209
flat angles C4'-P-C4' energy: -167.632
flat angles P-C4'-P energy: -110.173
tors. eta vs tors. theta energy: -230.038
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: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2356.285789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.285789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.285789 (E_RNA)
where:
Base-Base interactions energy: -1650.526
where: short stacking energy: -715.849
Base-Backbone interact. energy: -3.335
local terms energy: -702.424934
where:
bonds (distance) C4'-P energy: -121.273
bonds (distance) P-C4' energy: -128.917
flat angles C4'-P-C4' energy: -139.211
flat angles P-C4'-P energy: -109.245
tors. eta vs tors. theta energy: -203.779
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: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2195.597875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.597875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.597875 (E_RNA)
where:
Base-Base interactions energy: -1491.286
where: short stacking energy: -665.507
Base-Backbone interact. energy: -3.644
local terms energy: -700.668585
where:
bonds (distance) C4'-P energy: -124.564
bonds (distance) P-C4' energy: -133.379
flat angles C4'-P-C4' energy: -161.220
flat angles P-C4'-P energy: -93.056
tors. eta vs tors. theta energy: -188.450
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: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2085.551316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.551316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.551316 (E_RNA)
where:
Base-Base interactions energy: -1422.867
where: short stacking energy: -608.920
Base-Backbone interact. energy: -2.748
local terms energy: -659.936302
where:
bonds (distance) C4'-P energy: -117.642
bonds (distance) P-C4' energy: -138.758
flat angles C4'-P-C4' energy: -150.152
flat angles P-C4'-P energy: -80.414
tors. eta vs tors. theta energy: -172.970
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: 450
Temperature: 1.200000
Total energy: -1742.709887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.709887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.709887 (E_RNA)
where:
Base-Base interactions energy: -1126.991
where: short stacking energy: -515.799
Base-Backbone interact. energy: -2.058
local terms energy: -613.661061
where:
bonds (distance) C4'-P energy: -91.988
bonds (distance) P-C4' energy: -135.913
flat angles C4'-P-C4' energy: -148.020
flat angles P-C4'-P energy: -86.851
tors. eta vs tors. theta energy: -150.889
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: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1539.039910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.039910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.039910 (E_RNA)
where:
Base-Base interactions energy: -977.355
where: short stacking energy: -460.205
Base-Backbone interact. energy: -0.072
local terms energy: -561.613321
where:
bonds (distance) C4'-P energy: -115.872
bonds (distance) P-C4' energy: -133.838
flat angles C4'-P-C4' energy: -123.101
flat angles P-C4'-P energy: -78.973
tors. eta vs tors. theta energy: -109.830
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: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -907.427087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.427087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.427087 (E_RNA)
where:
Base-Base interactions energy: -483.721
where: short stacking energy: -251.686
Base-Backbone interact. energy: -2.011
local terms energy: -421.695370
where:
bonds (distance) C4'-P energy: -114.788
bonds (distance) P-C4' energy: -115.381
flat angles C4'-P-C4' energy: -113.669
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -29.930
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: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -793.647911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.647911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.647911 (E_RNA)
where:
Base-Base interactions energy: -429.114
where: short stacking energy: -245.967
Base-Backbone interact. energy: 9.124
local terms energy: -373.658372
where:
bonds (distance) C4'-P energy: -122.471
bonds (distance) P-C4' energy: -106.735
flat angles C4'-P-C4' energy: -86.972
flat angles P-C4'-P energy: -51.865
tors. eta vs tors. theta energy: -5.615
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: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2660.582148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.582148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.582148 (E_RNA)
where:
Base-Base interactions energy: -1868.629
where: short stacking energy: -775.503
Base-Backbone interact. energy: -1.318
local terms energy: -790.634267
where:
bonds (distance) C4'-P energy: -148.357
bonds (distance) P-C4' energy: -149.531
flat angles C4'-P-C4' energy: -168.394
flat angles P-C4'-P energy: -111.241
tors. eta vs tors. theta energy: -213.112
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: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2596.178496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.178496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.178496 (E_RNA)
where:
Base-Base interactions energy: -1776.315
where: short stacking energy: -799.328
Base-Backbone interact. energy: -2.370
local terms energy: -817.493801
where:
bonds (distance) C4'-P energy: -145.460
bonds (distance) P-C4' energy: -138.594
flat angles C4'-P-C4' energy: -163.542
flat angles P-C4'-P energy: -120.785
tors. eta vs tors. theta energy: -249.113
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: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2514.494764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.494764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.494764 (E_RNA)
where:
Base-Base interactions energy: -1710.141
where: short stacking energy: -743.820
Base-Backbone interact. energy: -1.466
local terms energy: -802.887753
where:
bonds (distance) C4'-P energy: -129.140
bonds (distance) P-C4' energy: -150.178
flat angles C4'-P-C4' energy: -175.688
flat angles P-C4'-P energy: -117.299
tors. eta vs tors. theta energy: -230.582
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: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2411.362828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.362828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.362828 (E_RNA)
where:
Base-Base interactions energy: -1680.436
where: short stacking energy: -731.466
Base-Backbone interact. energy: 3.027
local terms energy: -733.953946
where:
bonds (distance) C4'-P energy: -120.760
bonds (distance) P-C4' energy: -134.676
flat angles C4'-P-C4' energy: -151.021
flat angles P-C4'-P energy: -103.990
tors. eta vs tors. theta energy: -223.507
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: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2200.400850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.400850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.400850 (E_RNA)
where:
Base-Base interactions energy: -1482.281
where: short stacking energy: -654.576
Base-Backbone interact. energy: -6.174
local terms energy: -711.945910
where:
bonds (distance) C4'-P energy: -137.070
bonds (distance) P-C4' energy: -128.931
flat angles C4'-P-C4' energy: -159.933
flat angles P-C4'-P energy: -100.000
tors. eta vs tors. theta energy: -186.013
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: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2024.383709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.383709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.383709 (E_RNA)
where:
Base-Base interactions energy: -1394.277
where: short stacking energy: -553.191
Base-Backbone interact. energy: 1.289
local terms energy: -631.395504
where:
bonds (distance) C4'-P energy: -121.712
bonds (distance) P-C4' energy: -128.025
flat angles C4'-P-C4' energy: -148.014
flat angles P-C4'-P energy: -87.802
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: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1743.664429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.664429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.664429 (E_RNA)
where:
Base-Base interactions energy: -1151.616
where: short stacking energy: -515.718
Base-Backbone interact. energy: 3.502
local terms energy: -595.550327
where:
bonds (distance) C4'-P energy: -127.268
bonds (distance) P-C4' energy: -119.939
flat angles C4'-P-C4' energy: -140.214
flat angles P-C4'-P energy: -77.048
tors. eta vs tors. theta energy: -131.081
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: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1472.486834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.486834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.486834 (E_RNA)
where:
Base-Base interactions energy: -935.420
where: short stacking energy: -426.093
Base-Backbone interact. energy: -3.602
local terms energy: -533.465093
where:
bonds (distance) C4'-P energy: -131.318
bonds (distance) P-C4' energy: -118.396
flat angles C4'-P-C4' energy: -116.577
flat angles P-C4'-P energy: -72.416
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: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -868.980260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.980260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.980260 (E_RNA)
where:
Base-Base interactions energy: -472.564
where: short stacking energy: -239.178
Base-Backbone interact. energy: 1.008
local terms energy: -397.424174
where:
bonds (distance) C4'-P energy: -124.183
bonds (distance) P-C4' energy: -130.107
flat angles C4'-P-C4' energy: -101.519
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: 2.926
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: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -815.349510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.349510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.349510 (E_RNA)
where:
Base-Base interactions energy: -415.827
where: short stacking energy: -227.497
Base-Backbone interact. energy: -0.265
local terms energy: -399.257129
where:
bonds (distance) C4'-P energy: -113.704
bonds (distance) P-C4' energy: -121.166
flat angles C4'-P-C4' energy: -100.994
flat angles P-C4'-P energy: -61.675
tors. eta vs tors. theta energy: -1.717
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: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2687.354271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.354271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.354271 (E_RNA)
where:
Base-Base interactions energy: -1903.556
where: short stacking energy: -773.337
Base-Backbone interact. energy: 1.670
local terms energy: -785.468240
where:
bonds (distance) C4'-P energy: -151.036
bonds (distance) P-C4' energy: -137.661
flat angles C4'-P-C4' energy: -171.676
flat angles P-C4'-P energy: -102.254
tors. eta vs tors. theta energy: -222.841
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: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2599.588313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.588313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.588313 (E_RNA)
where:
Base-Base interactions energy: -1799.784
where: short stacking energy: -771.106
Base-Backbone interact. energy: -1.522
local terms energy: -798.281636
where:
bonds (distance) C4'-P energy: -139.359
bonds (distance) P-C4' energy: -139.597
flat angles C4'-P-C4' energy: -162.576
flat angles P-C4'-P energy: -114.053
tors. eta vs tors. theta energy: -242.698
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2527.513695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.513695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.513695 (E_RNA)
where:
Base-Base interactions energy: -1735.432
where: short stacking energy: -747.338
Base-Backbone interact. energy: 0.006
local terms energy: -792.087832
where:
bonds (distance) C4'-P energy: -130.845
bonds (distance) P-C4' energy: -156.504
flat angles C4'-P-C4' energy: -159.440
flat angles P-C4'-P energy: -110.643
tors. eta vs tors. theta energy: -234.656
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: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2336.574976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.574976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.574976 (E_RNA)
where:
Base-Base interactions energy: -1636.667
where: short stacking energy: -703.797
Base-Backbone interact. energy: -1.243
local terms energy: -698.665256
where:
bonds (distance) C4'-P energy: -115.766
bonds (distance) P-C4' energy: -129.656
flat angles C4'-P-C4' energy: -153.731
flat angles P-C4'-P energy: -101.265
tors. eta vs tors. theta energy: -198.248
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: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2199.770898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.770898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.770898 (E_RNA)
where:
Base-Base interactions energy: -1526.922
where: short stacking energy: -633.843
Base-Backbone interact. energy: 1.811
local terms energy: -674.659887
where:
bonds (distance) C4'-P energy: -125.760
bonds (distance) P-C4' energy: -139.215
flat angles C4'-P-C4' energy: -140.978
flat angles P-C4'-P energy: -93.294
tors. eta vs tors. theta energy: -175.413
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: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2057.523431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.523431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.523431 (E_RNA)
where:
Base-Base interactions energy: -1416.582
where: short stacking energy: -586.555
Base-Backbone interact. energy: -2.033
local terms energy: -638.908217
where:
bonds (distance) C4'-P energy: -112.276
bonds (distance) P-C4' energy: -141.811
flat angles C4'-P-C4' energy: -144.109
flat angles P-C4'-P energy: -94.507
tors. eta vs tors. theta energy: -146.205
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1675.699874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.699874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.699874 (E_RNA)
where:
Base-Base interactions energy: -1105.005
where: short stacking energy: -471.698
Base-Backbone interact. energy: -4.322
local terms energy: -566.373318
where:
bonds (distance) C4'-P energy: -101.136
bonds (distance) P-C4' energy: -121.315
flat angles C4'-P-C4' energy: -132.995
flat angles P-C4'-P energy: -86.788
tors. eta vs tors. theta energy: -124.139
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: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1504.256122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.256122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.256122 (E_RNA)
where:
Base-Base interactions energy: -948.894
where: short stacking energy: -422.352
Base-Backbone interact. energy: 2.445
local terms energy: -557.807567
where:
bonds (distance) C4'-P energy: -119.815
bonds (distance) P-C4' energy: -136.430
flat angles C4'-P-C4' energy: -124.135
flat angles P-C4'-P energy: -80.246
tors. eta vs tors. theta energy: -97.181
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: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -946.539509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.539509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.539509 (E_RNA)
where:
Base-Base interactions energy: -538.990
where: short stacking energy: -297.600
Base-Backbone interact. energy: 0.088
local terms energy: -407.638137
where:
bonds (distance) C4'-P energy: -114.003
bonds (distance) P-C4' energy: -108.805
flat angles C4'-P-C4' energy: -99.204
flat angles P-C4'-P energy: -70.095
tors. eta vs tors. theta energy: -15.531
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: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -808.324252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.324252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.324252 (E_RNA)
where:
Base-Base interactions energy: -398.645
where: short stacking energy: -244.878
Base-Backbone interact. energy: 7.109
local terms energy: -416.788101
where:
bonds (distance) C4'-P energy: -127.469
bonds (distance) P-C4' energy: -121.809
flat angles C4'-P-C4' energy: -94.256
flat angles P-C4'-P energy: -69.774
tors. eta vs tors. theta energy: -3.480
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: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2643.357321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.357321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.357321 (E_RNA)
where:
Base-Base interactions energy: -1850.540
where: short stacking energy: -772.882
Base-Backbone interact. energy: -3.744
local terms energy: -789.073055
where:
bonds (distance) C4'-P energy: -143.365
bonds (distance) P-C4' energy: -144.383
flat angles C4'-P-C4' energy: -172.279
flat angles P-C4'-P energy: -118.035
tors. eta vs tors. theta energy: -211.011
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2576.976779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.976779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.976779 (E_RNA)
where:
Base-Base interactions energy: -1780.694
where: short stacking energy: -774.516
Base-Backbone interact. energy: -3.182
local terms energy: -793.101000
where:
bonds (distance) C4'-P energy: -123.498
bonds (distance) P-C4' energy: -146.244
flat angles C4'-P-C4' energy: -164.799
flat angles P-C4'-P energy: -121.813
tors. eta vs tors. theta energy: -236.747
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: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2532.720746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.720746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.720746 (E_RNA)
where:
Base-Base interactions energy: -1733.130
where: short stacking energy: -747.238
Base-Backbone interact. energy: -4.523
local terms energy: -795.068007
where:
bonds (distance) C4'-P energy: -140.658
bonds (distance) P-C4' energy: -155.650
flat angles C4'-P-C4' energy: -165.059
flat angles P-C4'-P energy: -108.323
tors. eta vs tors. theta energy: -225.378
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: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2365.453613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.453613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.453613 (E_RNA)
where:
Base-Base interactions energy: -1601.894
where: short stacking energy: -721.295
Base-Backbone interact. energy: 1.489
local terms energy: -765.048877
where:
bonds (distance) C4'-P energy: -141.497
bonds (distance) P-C4' energy: -131.542
flat angles C4'-P-C4' energy: -152.336
flat angles P-C4'-P energy: -120.846
tors. eta vs tors. theta energy: -218.829
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: 453
Temperature: 1.100000
Total energy: -2168.073757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.073757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.073757 (E_RNA)
where:
Base-Base interactions energy: -1505.870
where: short stacking energy: -625.978
Base-Backbone interact. energy: 0.819
local terms energy: -663.023218
where:
bonds (distance) C4'-P energy: -126.952
bonds (distance) P-C4' energy: -115.762
flat angles C4'-P-C4' energy: -146.163
flat angles P-C4'-P energy: -105.249
tors. eta vs tors. theta energy: -168.898
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: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2004.597995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.597995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.597995 (E_RNA)
where:
Base-Base interactions energy: -1385.353
where: short stacking energy: -578.419
Base-Backbone interact. energy: -4.423
local terms energy: -614.822375
where:
bonds (distance) C4'-P energy: -116.231
bonds (distance) P-C4' energy: -121.173
flat angles C4'-P-C4' energy: -148.427
flat angles P-C4'-P energy: -81.630
tors. eta vs tors. theta energy: -147.361
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: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1716.784624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.784624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.784624 (E_RNA)
where:
Base-Base interactions energy: -1107.342
where: short stacking energy: -495.771
Base-Backbone interact. energy: 2.300
local terms energy: -611.742716
where:
bonds (distance) C4'-P energy: -117.646
bonds (distance) P-C4' energy: -119.381
flat angles C4'-P-C4' energy: -135.288
flat angles P-C4'-P energy: -98.161
tors. eta vs tors. theta energy: -141.267
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: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1572.228272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.228272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.228272 (E_RNA)
where:
Base-Base interactions energy: -1010.839
where: short stacking energy: -457.048
Base-Backbone interact. energy: -6.231
local terms energy: -555.158458
where:
bonds (distance) C4'-P energy: -109.727
bonds (distance) P-C4' energy: -122.277
flat angles C4'-P-C4' energy: -132.335
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: -120.111
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: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -894.107827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.107827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.107827 (E_RNA)
where:
Base-Base interactions energy: -475.219
where: short stacking energy: -247.557
Base-Backbone interact. energy: -3.949
local terms energy: -414.940438
where:
bonds (distance) C4'-P energy: -119.545
bonds (distance) P-C4' energy: -118.104
flat angles C4'-P-C4' energy: -98.140
flat angles P-C4'-P energy: -63.644
tors. eta vs tors. theta energy: -15.507
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: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -817.259055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.259055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.259055 (E_RNA)
where:
Base-Base interactions energy: -456.412
where: short stacking energy: -219.794
Base-Backbone interact. energy: -3.095
local terms energy: -357.751335
where:
bonds (distance) C4'-P energy: -121.860
bonds (distance) P-C4' energy: -133.372
flat angles C4'-P-C4' energy: -83.224
flat angles P-C4'-P energy: -46.146
tors. eta vs tors. theta energy: 26.851
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: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2673.272621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.272621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.272621 (E_RNA)
where:
Base-Base interactions energy: -1884.012
where: short stacking energy: -767.568
Base-Backbone interact. energy: -1.261
local terms energy: -787.999744
where:
bonds (distance) C4'-P energy: -157.197
bonds (distance) P-C4' energy: -139.948
flat angles C4'-P-C4' energy: -165.982
flat angles P-C4'-P energy: -113.081
tors. eta vs tors. theta energy: -211.792
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: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2620.087774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.087774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.087774 (E_RNA)
where:
Base-Base interactions energy: -1814.507
where: short stacking energy: -790.674
Base-Backbone interact. energy: -2.458
local terms energy: -803.123009
where:
bonds (distance) C4'-P energy: -146.379
bonds (distance) P-C4' energy: -135.427
flat angles C4'-P-C4' energy: -164.198
flat angles P-C4'-P energy: -116.994
tors. eta vs tors. theta energy: -240.125
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: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2548.980695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.980695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.980695 (E_RNA)
where:
Base-Base interactions energy: -1755.797
where: short stacking energy: -756.169
Base-Backbone interact. energy: -2.975
local terms energy: -790.207828
where:
bonds (distance) C4'-P energy: -136.877
bonds (distance) P-C4' energy: -142.980
flat angles C4'-P-C4' energy: -168.426
flat angles P-C4'-P energy: -106.255
tors. eta vs tors. theta energy: -235.669
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: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2343.915745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.915745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.915745 (E_RNA)
where:
Base-Base interactions energy: -1610.018
where: short stacking energy: -693.682
Base-Backbone interact. energy: -4.614
local terms energy: -729.283770
where:
bonds (distance) C4'-P energy: -124.988
bonds (distance) P-C4' energy: -131.217
flat angles C4'-P-C4' energy: -159.259
flat angles P-C4'-P energy: -105.146
tors. eta vs tors. theta energy: -208.674
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: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2227.471421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.471421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.471421 (E_RNA)
where:
Base-Base interactions energy: -1530.266
where: short stacking energy: -621.485
Base-Backbone interact. energy: -0.854
local terms energy: -696.351758
where:
bonds (distance) C4'-P energy: -121.366
bonds (distance) P-C4' energy: -135.119
flat angles C4'-P-C4' energy: -143.910
flat angles P-C4'-P energy: -109.753
tors. eta vs tors. theta energy: -186.204
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: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1992.598044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.598044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.598044 (E_RNA)
where:
Base-Base interactions energy: -1355.595
where: short stacking energy: -566.728
Base-Backbone interact. energy: -1.027
local terms energy: -635.976058
where:
bonds (distance) C4'-P energy: -119.325
bonds (distance) P-C4' energy: -144.868
flat angles C4'-P-C4' energy: -149.065
flat angles P-C4'-P energy: -69.338
tors. eta vs tors. theta energy: -153.380
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: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1741.658811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.658811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.658811 (E_RNA)
where:
Base-Base interactions energy: -1131.162
where: short stacking energy: -524.716
Base-Backbone interact. energy: -2.968
local terms energy: -607.528078
where:
bonds (distance) C4'-P energy: -125.050
bonds (distance) P-C4' energy: -115.852
flat angles C4'-P-C4' energy: -146.272
flat angles P-C4'-P energy: -74.517
tors. eta vs tors. theta energy: -145.838
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: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1543.641344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.641344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.641344 (E_RNA)
where:
Base-Base interactions energy: -1006.499
where: short stacking energy: -435.648
Base-Backbone interact. energy: 1.652
local terms energy: -538.794367
where:
bonds (distance) C4'-P energy: -120.632
bonds (distance) P-C4' energy: -113.600
flat angles C4'-P-C4' energy: -118.012
flat angles P-C4'-P energy: -75.647
tors. eta vs tors. theta energy: -110.903
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: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -881.197700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.197700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.197700 (E_RNA)
where:
Base-Base interactions energy: -483.357
where: short stacking energy: -265.740
Base-Backbone interact. energy: -0.475
local terms energy: -397.366078
where:
bonds (distance) C4'-P energy: -101.553
bonds (distance) P-C4' energy: -118.585
flat angles C4'-P-C4' energy: -111.369
flat angles P-C4'-P energy: -61.965
tors. eta vs tors. theta energy: -3.894
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: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -817.649736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.649736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.649736 (E_RNA)
where:
Base-Base interactions energy: -418.953
where: short stacking energy: -234.725
Base-Backbone interact. energy: 0.917
local terms energy: -399.612989
where:
bonds (distance) C4'-P energy: -98.426
bonds (distance) P-C4' energy: -126.380
flat angles C4'-P-C4' energy: -104.517
flat angles P-C4'-P energy: -67.154
tors. eta vs tors. theta energy: -3.136
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: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2663.138515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.138515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.138515 (E_RNA)
where:
Base-Base interactions energy: -1871.984
where: short stacking energy: -783.532
Base-Backbone interact. energy: -2.024
local terms energy: -789.129948
where:
bonds (distance) C4'-P energy: -140.841
bonds (distance) P-C4' energy: -151.880
flat angles C4'-P-C4' energy: -161.459
flat angles P-C4'-P energy: -105.882
tors. eta vs tors. theta energy: -229.068
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: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2574.488501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.488501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.488501 (E_RNA)
where:
Base-Base interactions energy: -1761.689
where: short stacking energy: -783.247
Base-Backbone interact. energy: -1.879
local terms energy: -810.920699
where:
bonds (distance) C4'-P energy: -152.877
bonds (distance) P-C4' energy: -139.908
flat angles C4'-P-C4' energy: -171.863
flat angles P-C4'-P energy: -113.546
tors. eta vs tors. theta energy: -232.728
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: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2507.970766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.970766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.970766 (E_RNA)
where:
Base-Base interactions energy: -1737.278
where: short stacking energy: -762.141
Base-Backbone interact. energy: -1.892
local terms energy: -768.801529
where:
bonds (distance) C4'-P energy: -131.341
bonds (distance) P-C4' energy: -140.024
flat angles C4'-P-C4' energy: -149.053
flat angles P-C4'-P energy: -116.326
tors. eta vs tors. theta energy: -232.058
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: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2331.337922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.337922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.337922 (E_RNA)
where:
Base-Base interactions energy: -1594.962
where: short stacking energy: -690.337
Base-Backbone interact. energy: -4.686
local terms energy: -731.690610
where:
bonds (distance) C4'-P energy: -159.969
bonds (distance) P-C4' energy: -131.367
flat angles C4'-P-C4' energy: -142.844
flat angles P-C4'-P energy: -97.778
tors. eta vs tors. theta energy: -199.733
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: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2171.434066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.434066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.434066 (E_RNA)
where:
Base-Base interactions energy: -1501.235
where: short stacking energy: -581.961
Base-Backbone interact. energy: -2.650
local terms energy: -667.548312
where:
bonds (distance) C4'-P energy: -137.222
bonds (distance) P-C4' energy: -128.785
flat angles C4'-P-C4' energy: -134.673
flat angles P-C4'-P energy: -101.250
tors. eta vs tors. theta energy: -165.619
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: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1990.383511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.383511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.383511 (E_RNA)
where:
Base-Base interactions energy: -1365.555
where: short stacking energy: -555.401
Base-Backbone interact. energy: 1.143
local terms energy: -625.971399
where:
bonds (distance) C4'-P energy: -126.981
bonds (distance) P-C4' energy: -138.612
flat angles C4'-P-C4' energy: -134.495
flat angles P-C4'-P energy: -81.409
tors. eta vs tors. theta energy: -144.475
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: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1720.515133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.515133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.515133 (E_RNA)
where:
Base-Base interactions energy: -1118.757
where: short stacking energy: -508.667
Base-Backbone interact. energy: 0.186
local terms energy: -601.944423
where:
bonds (distance) C4'-P energy: -137.477
bonds (distance) P-C4' energy: -123.519
flat angles C4'-P-C4' energy: -128.157
flat angles P-C4'-P energy: -92.198
tors. eta vs tors. theta energy: -120.594
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: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1539.222827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.222827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.222827 (E_RNA)
where:
Base-Base interactions energy: -995.245
where: short stacking energy: -471.608
Base-Backbone interact. energy: -5.722
local terms energy: -538.256035
where:
bonds (distance) C4'-P energy: -100.962
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -131.108
flat angles P-C4'-P energy: -77.719
tors. eta vs tors. theta energy: -116.693
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: 455
Temperature: 1.300000
Total energy: -876.429669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.429669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.429669 (E_RNA)
where:
Base-Base interactions energy: -455.767
where: short stacking energy: -261.169
Base-Backbone interact. energy: 0.183
local terms energy: -420.845451
where:
bonds (distance) C4'-P energy: -115.395
bonds (distance) P-C4' energy: -133.497
flat angles C4'-P-C4' energy: -103.397
flat angles P-C4'-P energy: -66.436
tors. eta vs tors. theta energy: -2.120
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: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -804.282710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.282710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.282710 (E_RNA)
where:
Base-Base interactions energy: -426.050
where: short stacking energy: -225.112
Base-Backbone interact. energy: -2.592
local terms energy: -375.640621
where:
bonds (distance) C4'-P energy: -128.861
bonds (distance) P-C4' energy: -124.187
flat angles C4'-P-C4' energy: -95.887
flat angles P-C4'-P energy: -48.116
tors. eta vs tors. theta energy: 21.411
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: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2703.984649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.984649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.984649 (E_RNA)
where:
Base-Base interactions energy: -1935.166
where: short stacking energy: -794.288
Base-Backbone interact. energy: 1.375
local terms energy: -770.193072
where:
bonds (distance) C4'-P energy: -140.717
bonds (distance) P-C4' energy: -150.533
flat angles C4'-P-C4' energy: -158.075
flat angles P-C4'-P energy: -91.163
tors. eta vs tors. theta energy: -229.706
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: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2573.542006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.542006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.542006 (E_RNA)
where:
Base-Base interactions energy: -1764.267
where: short stacking energy: -777.401
Base-Backbone interact. energy: -3.357
local terms energy: -805.917668
where:
bonds (distance) C4'-P energy: -123.550
bonds (distance) P-C4' energy: -152.114
flat angles C4'-P-C4' energy: -170.646
flat angles P-C4'-P energy: -117.611
tors. eta vs tors. theta energy: -241.998
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: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2561.431340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.431340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.431340 (E_RNA)
where:
Base-Base interactions energy: -1758.958
where: short stacking energy: -775.741
Base-Backbone interact. energy: -2.418
local terms energy: -800.055105
where:
bonds (distance) C4'-P energy: -143.692
bonds (distance) P-C4' energy: -145.712
flat angles C4'-P-C4' energy: -159.032
flat angles P-C4'-P energy: -120.697
tors. eta vs tors. theta energy: -230.922
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: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2332.604862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.604862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.604862 (E_RNA)
where:
Base-Base interactions energy: -1587.135
where: short stacking energy: -688.992
Base-Backbone interact. energy: -0.095
local terms energy: -745.374841
where:
bonds (distance) C4'-P energy: -124.348
bonds (distance) P-C4' energy: -138.884
flat angles C4'-P-C4' energy: -170.496
flat angles P-C4'-P energy: -107.572
tors. eta vs tors. theta energy: -204.075
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: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2153.923570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.923570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.923570 (E_RNA)
where:
Base-Base interactions energy: -1525.732
where: short stacking energy: -631.113
Base-Backbone interact. energy: -1.679
local terms energy: -626.512322
where:
bonds (distance) C4'-P energy: -98.325
bonds (distance) P-C4' energy: -125.980
flat angles C4'-P-C4' energy: -135.988
flat angles P-C4'-P energy: -92.714
tors. eta vs tors. theta energy: -173.505
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: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1994.228358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.228358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.228358 (E_RNA)
where:
Base-Base interactions energy: -1360.688
where: short stacking energy: -580.689
Base-Backbone interact. energy: 0.391
local terms energy: -633.931987
where:
bonds (distance) C4'-P energy: -116.308
bonds (distance) P-C4' energy: -133.151
flat angles C4'-P-C4' energy: -139.011
flat angles P-C4'-P energy: -91.049
tors. eta vs tors. theta energy: -154.413
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: 7, replica: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1692.207107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.207107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.207107 (E_RNA)
where:
Base-Base interactions energy: -1118.845
where: short stacking energy: -489.724
Base-Backbone interact. energy: -3.200
local terms energy: -570.161661
where:
bonds (distance) C4'-P energy: -110.508
bonds (distance) P-C4' energy: -123.975
flat angles C4'-P-C4' energy: -128.942
flat angles P-C4'-P energy: -84.874
tors. eta vs tors. theta energy: -121.862
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: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1553.636959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.636959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.636959 (E_RNA)
where:
Base-Base interactions energy: -980.741
where: short stacking energy: -444.726
Base-Backbone interact. energy: -2.210
local terms energy: -570.686936
where:
bonds (distance) C4'-P energy: -110.367
bonds (distance) P-C4' energy: -133.432
flat angles C4'-P-C4' energy: -149.288
flat angles P-C4'-P energy: -82.419
tors. eta vs tors. theta energy: -95.181
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: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -879.812358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.812358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.812358 (E_RNA)
where:
Base-Base interactions energy: -460.158
where: short stacking energy: -241.039
Base-Backbone interact. energy: 2.602
local terms energy: -422.256300
where:
bonds (distance) C4'-P energy: -109.098
bonds (distance) P-C4' energy: -127.385
flat angles C4'-P-C4' energy: -107.774
flat angles P-C4'-P energy: -63.919
tors. eta vs tors. theta energy: -14.081
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: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -808.164708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.164708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.164708 (E_RNA)
where:
Base-Base interactions energy: -407.916
where: short stacking energy: -236.992
Base-Backbone interact. energy: 1.543
local terms energy: -401.791417
where:
bonds (distance) C4'-P energy: -117.459
bonds (distance) P-C4' energy: -110.638
flat angles C4'-P-C4' energy: -122.035
flat angles P-C4'-P energy: -56.307
tors. eta vs tors. theta energy: 4.647
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: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2705.335223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.335223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.335223 (E_RNA)
where:
Base-Base interactions energy: -1888.363
where: short stacking energy: -794.922
Base-Backbone interact. energy: -2.947
local terms energy: -814.025134
where:
bonds (distance) C4'-P energy: -147.197
bonds (distance) P-C4' energy: -145.125
flat angles C4'-P-C4' energy: -176.298
flat angles P-C4'-P energy: -111.445
tors. eta vs tors. theta energy: -233.960
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: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2608.953793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.953793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.953793 (E_RNA)
where:
Base-Base interactions energy: -1808.241
where: short stacking energy: -784.355
Base-Backbone interact. energy: -2.142
local terms energy: -798.570995
where:
bonds (distance) C4'-P energy: -124.700
bonds (distance) P-C4' energy: -135.759
flat angles C4'-P-C4' energy: -174.943
flat angles P-C4'-P energy: -114.170
tors. eta vs tors. theta energy: -248.998
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: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2502.140018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.140018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.140018 (E_RNA)
where:
Base-Base interactions energy: -1722.532
where: short stacking energy: -764.451
Base-Backbone interact. energy: -3.714
local terms energy: -775.894770
where:
bonds (distance) C4'-P energy: -130.518
bonds (distance) P-C4' energy: -149.168
flat angles C4'-P-C4' energy: -166.884
flat angles P-C4'-P energy: -102.219
tors. eta vs tors. theta energy: -227.105
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: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2341.151484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.151484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.151484 (E_RNA)
where:
Base-Base interactions energy: -1613.164
where: short stacking energy: -680.537
Base-Backbone interact. energy: -3.186
local terms energy: -724.801839
where:
bonds (distance) C4'-P energy: -130.590
bonds (distance) P-C4' energy: -139.641
flat angles C4'-P-C4' energy: -154.112
flat angles P-C4'-P energy: -109.083
tors. eta vs tors. theta energy: -191.376
Dist. restrs. and SS energy: 0.000 (S_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: 457
Temperature: 1.100000
Total energy: -2178.352649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.352649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.352649 (E_RNA)
where:
Base-Base interactions energy: -1466.056
where: short stacking energy: -622.479
Base-Backbone interact. energy: -1.065
local terms energy: -711.232340
where:
bonds (distance) C4'-P energy: -133.723
bonds (distance) P-C4' energy: -147.880
flat angles C4'-P-C4' energy: -151.582
flat angles P-C4'-P energy: -106.544
tors. eta vs tors. theta energy: -171.503
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: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1960.705940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.705940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.705940 (E_RNA)
where:
Base-Base interactions energy: -1341.919
where: short stacking energy: -588.251
Base-Backbone interact. energy: -6.113
local terms energy: -612.674139
where:
bonds (distance) C4'-P energy: -113.899
bonds (distance) P-C4' energy: -121.776
flat angles C4'-P-C4' energy: -143.201
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -157.589
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: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1713.480885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.480885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.480885 (E_RNA)
where:
Base-Base interactions energy: -1123.270
where: short stacking energy: -494.055
Base-Backbone interact. energy: -3.746
local terms energy: -586.464557
where:
bonds (distance) C4'-P energy: -123.525
bonds (distance) P-C4' energy: -124.396
flat angles C4'-P-C4' energy: -133.798
flat angles P-C4'-P energy: -92.313
tors. eta vs tors. theta energy: -112.433
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: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1536.012108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.012108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.012108 (E_RNA)
where:
Base-Base interactions energy: -991.402
where: short stacking energy: -465.418
Base-Backbone interact. energy: 4.041
local terms energy: -548.650782
where:
bonds (distance) C4'-P energy: -127.419
bonds (distance) P-C4' energy: -104.791
flat angles C4'-P-C4' energy: -133.460
flat angles P-C4'-P energy: -73.369
tors. eta vs tors. theta energy: -109.612
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: 457
Temperature: 1.300000
Total energy: -852.009805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.009805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.009805 (E_RNA)
where:
Base-Base interactions energy: -415.108
where: short stacking energy: -242.089
Base-Backbone interact. energy: -1.432
local terms energy: -435.470290
where:
bonds (distance) C4'-P energy: -122.456
bonds (distance) P-C4' energy: -137.572
flat angles C4'-P-C4' energy: -98.762
flat angles P-C4'-P energy: -72.160
tors. eta vs tors. theta energy: -4.520
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: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -870.102523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.102523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.102523 (E_RNA)
where:
Base-Base interactions energy: -451.348
where: short stacking energy: -246.744
Base-Backbone interact. energy: 1.466
local terms energy: -420.220598
where:
bonds (distance) C4'-P energy: -122.104
bonds (distance) P-C4' energy: -132.512
flat angles C4'-P-C4' energy: -84.404
flat angles P-C4'-P energy: -65.013
tors. eta vs tors. theta energy: -16.188
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: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2702.461929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.461929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.461929 (E_RNA)
where:
Base-Base interactions energy: -1903.884
where: short stacking energy: -766.670
Base-Backbone interact. energy: -1.473
local terms energy: -797.104908
where:
bonds (distance) C4'-P energy: -132.052
bonds (distance) P-C4' energy: -143.612
flat angles C4'-P-C4' energy: -174.406
flat angles P-C4'-P energy: -122.263
tors. eta vs tors. theta energy: -224.772
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: 2, replica: 6
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2569.810696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.810696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.810696 (E_RNA)
where:
Base-Base interactions energy: -1732.565
where: short stacking energy: -780.961
Base-Backbone interact. energy: -2.256
local terms energy: -834.989444
where:
bonds (distance) C4'-P energy: -150.307
bonds (distance) P-C4' energy: -156.490
flat angles C4'-P-C4' energy: -167.328
flat angles P-C4'-P energy: -113.609
tors. eta vs tors. theta energy: -247.255
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: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2546.494203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.494203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.494203 (E_RNA)
where:
Base-Base interactions energy: -1766.964
where: short stacking energy: -760.670
Base-Backbone interact. energy: -3.808
local terms energy: -775.721314
where:
bonds (distance) C4'-P energy: -130.289
bonds (distance) P-C4' energy: -136.461
flat angles C4'-P-C4' energy: -167.118
flat angles P-C4'-P energy: -111.088
tors. eta vs tors. theta energy: -230.765
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: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2325.160046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.160046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.160046 (E_RNA)
where:
Base-Base interactions energy: -1608.547
where: short stacking energy: -714.927
Base-Backbone interact. energy: -1.504
local terms energy: -715.109647
where:
bonds (distance) C4'-P energy: -119.646
bonds (distance) P-C4' energy: -126.862
flat angles C4'-P-C4' energy: -169.062
flat angles P-C4'-P energy: -90.930
tors. eta vs tors. theta energy: -208.609
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: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2239.215592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.215592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.215592 (E_RNA)
where:
Base-Base interactions energy: -1516.375
where: short stacking energy: -644.551
Base-Backbone interact. energy: -2.859
local terms energy: -719.981895
where:
bonds (distance) C4'-P energy: -116.360
bonds (distance) P-C4' energy: -150.324
flat angles C4'-P-C4' energy: -162.561
flat angles P-C4'-P energy: -104.555
tors. eta vs tors. theta energy: -186.182
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: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1946.008798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.008798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.008798 (E_RNA)
where:
Base-Base interactions energy: -1308.761
where: short stacking energy: -584.578
Base-Backbone interact. energy: -3.139
local terms energy: -634.108672
where:
bonds (distance) C4'-P energy: -124.011
bonds (distance) P-C4' energy: -135.095
flat angles C4'-P-C4' energy: -140.577
flat angles P-C4'-P energy: -71.750
tors. eta vs tors. theta energy: -162.676
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: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1752.200017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.200017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.200017 (E_RNA)
where:
Base-Base interactions energy: -1171.157
where: short stacking energy: -521.034
Base-Backbone interact. energy: -3.007
local terms energy: -578.035655
where:
bonds (distance) C4'-P energy: -109.253
bonds (distance) P-C4' energy: -136.239
flat angles C4'-P-C4' energy: -113.127
flat angles P-C4'-P energy: -76.147
tors. eta vs tors. theta energy: -143.270
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: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1537.686801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.686801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.686801 (E_RNA)
where:
Base-Base interactions energy: -996.319
where: short stacking energy: -421.224
Base-Backbone interact. energy: -1.025
local terms energy: -540.342040
where:
bonds (distance) C4'-P energy: -122.252
bonds (distance) P-C4' energy: -114.878
flat angles C4'-P-C4' energy: -126.574
flat angles P-C4'-P energy: -79.038
tors. eta vs tors. theta energy: -97.600
Dist. restrs. and SS energy: 0.000 (S_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: 458
Temperature: 1.300000
Total energy: -969.769756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.769756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.769756 (E_RNA)
where:
Base-Base interactions energy: -518.170
where: short stacking energy: -279.195
Base-Backbone interact. energy: 1.874
local terms energy: -453.473024
where:
bonds (distance) C4'-P energy: -126.602
bonds (distance) P-C4' energy: -130.345
flat angles C4'-P-C4' energy: -125.228
flat angles P-C4'-P energy: -47.414
tors. eta vs tors. theta energy: -23.884
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: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -734.798105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.798105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.798105 (E_RNA)
where:
Base-Base interactions energy: -346.557
where: short stacking energy: -225.076
Base-Backbone interact. energy: -2.614
local terms energy: -385.626921
where:
bonds (distance) C4'-P energy: -117.585
bonds (distance) P-C4' energy: -113.617
flat angles C4'-P-C4' energy: -116.198
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: 11.042
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: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2676.814372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.814372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.814372 (E_RNA)
where:
Base-Base interactions energy: -1913.070
where: short stacking energy: -734.333
Base-Backbone interact. energy: -0.934
local terms energy: -762.810677
where:
bonds (distance) C4'-P energy: -143.537
bonds (distance) P-C4' energy: -146.743
flat angles C4'-P-C4' energy: -171.553
flat angles P-C4'-P energy: -98.852
tors. eta vs tors. theta energy: -202.125
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: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2604.480959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.480959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.480959 (E_RNA)
where:
Base-Base interactions energy: -1823.429
where: short stacking energy: -793.686
Base-Backbone interact. energy: 0.049
local terms energy: -781.100649
where:
bonds (distance) C4'-P energy: -139.009
bonds (distance) P-C4' energy: -135.620
flat angles C4'-P-C4' energy: -168.032
flat angles P-C4'-P energy: -103.946
tors. eta vs tors. theta energy: -234.494
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: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2560.794841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.794841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.794841 (E_RNA)
where:
Base-Base interactions energy: -1791.455
where: short stacking energy: -798.287
Base-Backbone interact. energy: -4.883
local terms energy: -764.457255
where:
bonds (distance) C4'-P energy: -122.524
bonds (distance) P-C4' energy: -130.538
flat angles C4'-P-C4' energy: -169.906
flat angles P-C4'-P energy: -99.947
tors. eta vs tors. theta energy: -241.542
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: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2409.837165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.837165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.837165 (E_RNA)
where:
Base-Base interactions energy: -1646.202
where: short stacking energy: -728.497
Base-Backbone interact. energy: -0.368
local terms energy: -763.266985
where:
bonds (distance) C4'-P energy: -137.426
bonds (distance) P-C4' energy: -146.322
flat angles C4'-P-C4' energy: -145.863
flat angles P-C4'-P energy: -106.928
tors. eta vs tors. theta energy: -226.728
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: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2277.713194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.713194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.713194 (E_RNA)
where:
Base-Base interactions energy: -1578.690
where: short stacking energy: -642.802
Base-Backbone interact. energy: 6.316
local terms energy: -705.339667
where:
bonds (distance) C4'-P energy: -152.984
bonds (distance) P-C4' energy: -133.634
flat angles C4'-P-C4' energy: -141.766
flat angles P-C4'-P energy: -88.198
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: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1945.854753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.854753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.854753 (E_RNA)
where:
Base-Base interactions energy: -1308.552
where: short stacking energy: -559.604
Base-Backbone interact. energy: -1.338
local terms energy: -635.964741
where:
bonds (distance) C4'-P energy: -127.236
bonds (distance) P-C4' energy: -128.106
flat angles C4'-P-C4' energy: -147.357
flat angles P-C4'-P energy: -90.305
tors. eta vs tors. theta energy: -142.960
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: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1732.060335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.060335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.060335 (E_RNA)
where:
Base-Base interactions energy: -1122.338
where: short stacking energy: -494.167
Base-Backbone interact. energy: -2.497
local terms energy: -607.225573
where:
bonds (distance) C4'-P energy: -129.848
bonds (distance) P-C4' energy: -142.272
flat angles C4'-P-C4' energy: -128.381
flat angles P-C4'-P energy: -84.955
tors. eta vs tors. theta energy: -121.769
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: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1587.492752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.492752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.492752 (E_RNA)
where:
Base-Base interactions energy: -1004.471
where: short stacking energy: -449.598
Base-Backbone interact. energy: -2.985
local terms energy: -580.036594
where:
bonds (distance) C4'-P energy: -129.162
bonds (distance) P-C4' energy: -123.933
flat angles C4'-P-C4' energy: -135.320
flat angles P-C4'-P energy: -80.782
tors. eta vs tors. theta energy: -110.840
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: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -860.802534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.802534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.802534 (E_RNA)
where:
Base-Base interactions energy: -466.308
where: short stacking energy: -251.004
Base-Backbone interact. energy: -3.265
local terms energy: -391.230181
where:
bonds (distance) C4'-P energy: -108.473
bonds (distance) P-C4' energy: -112.782
flat angles C4'-P-C4' energy: -101.328
flat angles P-C4'-P energy: -67.179
tors. eta vs tors. theta energy: -1.468
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: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -746.211599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.211599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.211599 (E_RNA)
where:
Base-Base interactions energy: -363.420
where: short stacking energy: -223.709
Base-Backbone interact. energy: -0.460
local terms energy: -382.331867
where:
bonds (distance) C4'-P energy: -108.513
bonds (distance) P-C4' energy: -124.890
flat angles C4'-P-C4' energy: -101.489
flat angles P-C4'-P energy: -54.157
tors. eta vs tors. theta energy: 6.716
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: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2701.710680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.710680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.710680 (E_RNA)
where:
Base-Base interactions energy: -1915.523
where: short stacking energy: -775.915
Base-Backbone interact. energy: -1.102
local terms energy: -785.086289
where:
bonds (distance) C4'-P energy: -148.425
bonds (distance) P-C4' energy: -157.431
flat angles C4'-P-C4' energy: -146.877
flat angles P-C4'-P energy: -112.559
tors. eta vs tors. theta energy: -219.795
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: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2609.928258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.928258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.928258 (E_RNA)
where:
Base-Base interactions energy: -1810.743
where: short stacking energy: -782.920
Base-Backbone interact. energy: -2.973
local terms energy: -796.212132
where:
bonds (distance) C4'-P energy: -146.287
bonds (distance) P-C4' energy: -137.856
flat angles C4'-P-C4' energy: -167.547
flat angles P-C4'-P energy: -116.833
tors. eta vs tors. theta energy: -227.689
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: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2577.969910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.969910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.969910 (E_RNA)
where:
Base-Base interactions energy: -1786.241
where: short stacking energy: -772.093
Base-Backbone interact. energy: -1.773
local terms energy: -789.956624
where:
bonds (distance) C4'-P energy: -128.888
bonds (distance) P-C4' energy: -140.046
flat angles C4'-P-C4' energy: -166.391
flat angles P-C4'-P energy: -115.970
tors. eta vs tors. theta energy: -238.661
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: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2393.819691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.819691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.819691 (E_RNA)
where:
Base-Base interactions energy: -1631.585
where: short stacking energy: -723.995
Base-Backbone interact. energy: -3.046
local terms energy: -759.188166
where:
bonds (distance) C4'-P energy: -157.319
bonds (distance) P-C4' energy: -140.262
flat angles C4'-P-C4' energy: -155.876
flat angles P-C4'-P energy: -100.896
tors. eta vs tors. theta energy: -204.835
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: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2290.612301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.612301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.612301 (E_RNA)
where:
Base-Base interactions energy: -1561.212
where: short stacking energy: -681.446
Base-Backbone interact. energy: -4.539
local terms energy: -724.860562
where:
bonds (distance) C4'-P energy: -137.371
bonds (distance) P-C4' energy: -145.769
flat angles C4'-P-C4' energy: -147.016
flat angles P-C4'-P energy: -96.676
tors. eta vs tors. theta energy: -198.029
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: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1986.184447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.184447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.184447 (E_RNA)
where:
Base-Base interactions energy: -1345.201
where: short stacking energy: -599.963
Base-Backbone interact. energy: -2.648
local terms energy: -638.335535
where:
bonds (distance) C4'-P energy: -105.029
bonds (distance) P-C4' energy: -130.142
flat angles C4'-P-C4' energy: -136.964
flat angles P-C4'-P energy: -88.840
tors. eta vs tors. theta energy: -177.361
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: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1836.583168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.583168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.583168 (E_RNA)
where:
Base-Base interactions energy: -1217.825
where: short stacking energy: -536.207
Base-Backbone interact. energy: -1.646
local terms energy: -617.112430
where:
bonds (distance) C4'-P energy: -122.932
bonds (distance) P-C4' energy: -122.411
flat angles C4'-P-C4' energy: -145.289
flat angles P-C4'-P energy: -82.180
tors. eta vs tors. theta energy: -144.300
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: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1539.225857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.225857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.225857 (E_RNA)
where:
Base-Base interactions energy: -1012.290
where: short stacking energy: -443.825
Base-Backbone interact. energy: -0.042
local terms energy: -526.893114
where:
bonds (distance) C4'-P energy: -116.523
bonds (distance) P-C4' energy: -126.395
flat angles C4'-P-C4' energy: -124.022
flat angles P-C4'-P energy: -57.186
tors. eta vs tors. theta energy: -102.767
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: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -811.574209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.574209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.574209 (E_RNA)
where:
Base-Base interactions energy: -383.266
where: short stacking energy: -218.901
Base-Backbone interact. energy: -3.401
local terms energy: -424.906379
where:
bonds (distance) C4'-P energy: -112.608
bonds (distance) P-C4' energy: -132.799
flat angles C4'-P-C4' energy: -106.072
flat angles P-C4'-P energy: -64.296
tors. eta vs tors. theta energy: -9.132
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: 460
Temperature: 1.350000
Total energy: -727.405034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.405034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.405034 (E_RNA)
where:
Base-Base interactions energy: -339.292
where: short stacking energy: -195.158
Base-Backbone interact. energy: -0.648
local terms energy: -387.465357
where:
bonds (distance) C4'-P energy: -105.947
bonds (distance) P-C4' energy: -132.910
flat angles C4'-P-C4' energy: -114.733
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: 15.274
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: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2703.412490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.412490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.412490 (E_RNA)
where:
Base-Base interactions energy: -1924.942
where: short stacking energy: -767.701
Base-Backbone interact. energy: 0.120
local terms energy: -778.590303
where:
bonds (distance) C4'-P energy: -131.254
bonds (distance) P-C4' energy: -146.649
flat angles C4'-P-C4' energy: -170.182
flat angles P-C4'-P energy: -102.910
tors. eta vs tors. theta energy: -227.594
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: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2598.571931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.571931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.571931 (E_RNA)
where:
Base-Base interactions energy: -1807.039
where: short stacking energy: -778.431
Base-Backbone interact. energy: -4.201
local terms energy: -787.331671
where:
bonds (distance) C4'-P energy: -143.164
bonds (distance) P-C4' energy: -143.958
flat angles C4'-P-C4' energy: -159.117
flat angles P-C4'-P energy: -115.294
tors. eta vs tors. theta energy: -225.799
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: 3, replica: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2551.773917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.773917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.773917 (E_RNA)
where:
Base-Base interactions energy: -1785.458
where: short stacking energy: -769.545
Base-Backbone interact. energy: -1.800
local terms energy: -764.515270
where:
bonds (distance) C4'-P energy: -134.388
bonds (distance) P-C4' energy: -122.159
flat angles C4'-P-C4' energy: -167.630
flat angles P-C4'-P energy: -103.649
tors. eta vs tors. theta energy: -236.689
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: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2334.123199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.123199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.123199 (E_RNA)
where:
Base-Base interactions energy: -1625.704
where: short stacking energy: -693.041
Base-Backbone interact. energy: -0.560
local terms energy: -707.859260
where:
bonds (distance) C4'-P energy: -135.147
bonds (distance) P-C4' energy: -134.501
flat angles C4'-P-C4' energy: -153.212
flat angles P-C4'-P energy: -97.841
tors. eta vs tors. theta energy: -187.159
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: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2302.055773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.055773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.055773 (E_RNA)
where:
Base-Base interactions energy: -1602.152
where: short stacking energy: -690.531
Base-Backbone interact. energy: -4.169
local terms energy: -695.735355
where:
bonds (distance) C4'-P energy: -135.869
bonds (distance) P-C4' energy: -125.639
flat angles C4'-P-C4' energy: -142.981
flat angles P-C4'-P energy: -90.451
tors. eta vs tors. theta energy: -200.795
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: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1942.833142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.833142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.833142 (E_RNA)
where:
Base-Base interactions energy: -1316.869
where: short stacking energy: -566.952
Base-Backbone interact. energy: -3.318
local terms energy: -622.645421
where:
bonds (distance) C4'-P energy: -111.881
bonds (distance) P-C4' energy: -142.500
flat angles C4'-P-C4' energy: -141.160
flat angles P-C4'-P energy: -83.709
tors. eta vs tors. theta energy: -143.396
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: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1740.042327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.042327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.042327 (E_RNA)
where:
Base-Base interactions energy: -1182.103
where: short stacking energy: -534.174
Base-Backbone interact. energy: -1.535
local terms energy: -556.404690
where:
bonds (distance) C4'-P energy: -123.920
bonds (distance) P-C4' energy: -96.860
flat angles C4'-P-C4' energy: -142.633
flat angles P-C4'-P energy: -71.854
tors. eta vs tors. theta energy: -121.137
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: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1557.809003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.809003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.809003 (E_RNA)
where:
Base-Base interactions energy: -1008.424
where: short stacking energy: -434.127
Base-Backbone interact. energy: 2.216
local terms energy: -551.600097
where:
bonds (distance) C4'-P energy: -128.708
bonds (distance) P-C4' energy: -111.113
flat angles C4'-P-C4' energy: -141.930
flat angles P-C4'-P energy: -76.765
tors. eta vs tors. theta energy: -93.084
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: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -911.711710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.711710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.711710 (E_RNA)
where:
Base-Base interactions energy: -472.485
where: short stacking energy: -236.152
Base-Backbone interact. energy: 6.268
local terms energy: -445.494459
where:
bonds (distance) C4'-P energy: -126.893
bonds (distance) P-C4' energy: -130.253
flat angles C4'-P-C4' energy: -109.565
flat angles P-C4'-P energy: -73.627
tors. eta vs tors. theta energy: -5.156
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: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -743.648052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.648052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.648052 (E_RNA)
where:
Base-Base interactions energy: -339.644
where: short stacking energy: -212.019
Base-Backbone interact. energy: 1.414
local terms energy: -405.418702
where:
bonds (distance) C4'-P energy: -106.869
bonds (distance) P-C4' energy: -138.651
flat angles C4'-P-C4' energy: -97.278
flat angles P-C4'-P energy: -48.005
tors. eta vs tors. theta energy: -14.616
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: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2711.551478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.551478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.551478 (E_RNA)
where:
Base-Base interactions energy: -1915.507
where: short stacking energy: -756.156
Base-Backbone interact. energy: -0.741
local terms energy: -795.303465
where:
bonds (distance) C4'-P energy: -147.852
bonds (distance) P-C4' energy: -148.502
flat angles C4'-P-C4' energy: -158.802
flat angles P-C4'-P energy: -121.247
tors. eta vs tors. theta energy: -218.902
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: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2592.813006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.813006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.813006 (E_RNA)
where:
Base-Base interactions energy: -1801.084
where: short stacking energy: -784.495
Base-Backbone interact. energy: -0.930
local terms energy: -790.798664
where:
bonds (distance) C4'-P energy: -140.285
bonds (distance) P-C4' energy: -147.923
flat angles C4'-P-C4' energy: -160.656
flat angles P-C4'-P energy: -105.944
tors. eta vs tors. theta energy: -235.991
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: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2531.166443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.166443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.166443 (E_RNA)
where:
Base-Base interactions energy: -1770.336
where: short stacking energy: -726.983
Base-Backbone interact. energy: -4.336
local terms energy: -756.494472
where:
bonds (distance) C4'-P energy: -142.344
bonds (distance) P-C4' energy: -140.767
flat angles C4'-P-C4' energy: -145.548
flat angles P-C4'-P energy: -117.974
tors. eta vs tors. theta energy: -209.861
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: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2373.881423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.881423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.881423 (E_RNA)
where:
Base-Base interactions energy: -1660.460
where: short stacking energy: -697.755
Base-Backbone interact. energy: -3.233
local terms energy: -710.188359
where:
bonds (distance) C4'-P energy: -120.213
bonds (distance) P-C4' energy: -130.998
flat angles C4'-P-C4' energy: -157.567
flat angles P-C4'-P energy: -95.525
tors. eta vs tors. theta energy: -205.885
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: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2295.079859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.079859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.079859 (E_RNA)
where:
Base-Base interactions energy: -1620.286
where: short stacking energy: -678.901
Base-Backbone interact. energy: 5.145
local terms energy: -679.938292
where:
bonds (distance) C4'-P energy: -120.388
bonds (distance) P-C4' energy: -130.330
flat angles C4'-P-C4' energy: -144.650
flat angles P-C4'-P energy: -93.620
tors. eta vs tors. theta energy: -190.950
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: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2005.404453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.404453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.404453 (E_RNA)
where:
Base-Base interactions energy: -1362.733
where: short stacking energy: -613.564
Base-Backbone interact. energy: -0.605
local terms energy: -642.066431
where:
bonds (distance) C4'-P energy: -125.921
bonds (distance) P-C4' energy: -129.881
flat angles C4'-P-C4' energy: -132.585
flat angles P-C4'-P energy: -89.433
tors. eta vs tors. theta energy: -164.246
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: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1774.403514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.403514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.403514 (E_RNA)
where:
Base-Base interactions energy: -1211.029
where: short stacking energy: -516.382
Base-Backbone interact. energy: 0.718
local terms energy: -564.092971
where:
bonds (distance) C4'-P energy: -107.374
bonds (distance) P-C4' energy: -124.930
flat angles C4'-P-C4' energy: -132.823
flat angles P-C4'-P energy: -72.716
tors. eta vs tors. theta energy: -126.251
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: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1575.560421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.560421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.560421 (E_RNA)
where:
Base-Base interactions energy: -1032.285
where: short stacking energy: -480.114
Base-Backbone interact. energy: -2.318
local terms energy: -540.957393
where:
bonds (distance) C4'-P energy: -115.518
bonds (distance) P-C4' energy: -133.636
flat angles C4'-P-C4' energy: -100.319
flat angles P-C4'-P energy: -79.697
tors. eta vs tors. theta energy: -111.786
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: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -899.809100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.809100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.809100 (E_RNA)
where:
Base-Base interactions energy: -466.944
where: short stacking energy: -230.859
Base-Backbone interact. energy: -1.101
local terms energy: -431.764657
where:
bonds (distance) C4'-P energy: -109.313
bonds (distance) P-C4' energy: -138.375
flat angles C4'-P-C4' energy: -103.775
flat angles P-C4'-P energy: -67.636
tors. eta vs tors. theta energy: -12.665
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: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -742.225791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.225791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.225791 (E_RNA)
where:
Base-Base interactions energy: -375.670
where: short stacking energy: -209.104
Base-Backbone interact. energy: 1.764
local terms energy: -368.320108
where:
bonds (distance) C4'-P energy: -103.148
bonds (distance) P-C4' energy: -127.216
flat angles C4'-P-C4' energy: -95.311
flat angles P-C4'-P energy: -53.611
tors. eta vs tors. theta energy: 10.966
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: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2711.235405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.235405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.235405 (E_RNA)
where:
Base-Base interactions energy: -1888.307
where: short stacking energy: -769.540
Base-Backbone interact. energy: -1.491
local terms energy: -821.437147
where:
bonds (distance) C4'-P energy: -142.449
bonds (distance) P-C4' energy: -155.672
flat angles C4'-P-C4' energy: -178.386
flat angles P-C4'-P energy: -128.405
tors. eta vs tors. theta energy: -216.525
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: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2562.041980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.041980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.041980 (E_RNA)
where:
Base-Base interactions energy: -1775.052
where: short stacking energy: -754.817
Base-Backbone interact. energy: 1.763
local terms energy: -788.752641
where:
bonds (distance) C4'-P energy: -150.788
bonds (distance) P-C4' energy: -136.657
flat angles C4'-P-C4' energy: -161.733
flat angles P-C4'-P energy: -117.457
tors. eta vs tors. theta energy: -222.119
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: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2509.342538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.342538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.342538 (E_RNA)
where:
Base-Base interactions energy: -1742.273
where: short stacking energy: -748.295
Base-Backbone interact. energy: -4.378
local terms energy: -762.691233
where:
bonds (distance) C4'-P energy: -120.120
bonds (distance) P-C4' energy: -137.252
flat angles C4'-P-C4' energy: -174.869
flat angles P-C4'-P energy: -107.974
tors. eta vs tors. theta energy: -222.476
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: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2401.851153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.851153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.851153 (E_RNA)
where:
Base-Base interactions energy: -1646.288
where: short stacking energy: -731.166
Base-Backbone interact. energy: -4.279
local terms energy: -751.284143
where:
bonds (distance) C4'-P energy: -128.784
bonds (distance) P-C4' energy: -141.426
flat angles C4'-P-C4' energy: -159.044
flat angles P-C4'-P energy: -97.966
tors. eta vs tors. theta energy: -224.064
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: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2294.872623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.872623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.872623 (E_RNA)
where:
Base-Base interactions energy: -1591.350
where: short stacking energy: -683.424
Base-Backbone interact. energy: 0.754
local terms energy: -704.276772
where:
bonds (distance) C4'-P energy: -142.961
bonds (distance) P-C4' energy: -128.764
flat angles C4'-P-C4' energy: -145.190
flat angles P-C4'-P energy: -89.040
tors. eta vs tors. theta energy: -198.323
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1959.955241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.955241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.955241 (E_RNA)
where:
Base-Base interactions energy: -1321.567
where: short stacking energy: -586.451
Base-Backbone interact. energy: -2.051
local terms energy: -636.337525
where:
bonds (distance) C4'-P energy: -134.535
bonds (distance) P-C4' energy: -129.023
flat angles C4'-P-C4' energy: -135.922
flat angles P-C4'-P energy: -86.707
tors. eta vs tors. theta energy: -150.151
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: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1721.855343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.855343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.855343 (E_RNA)
where:
Base-Base interactions energy: -1153.730
where: short stacking energy: -511.578
Base-Backbone interact. energy: 4.511
local terms energy: -572.636720
where:
bonds (distance) C4'-P energy: -123.994
bonds (distance) P-C4' energy: -115.383
flat angles C4'-P-C4' energy: -119.752
flat angles P-C4'-P energy: -74.763
tors. eta vs tors. theta energy: -138.745
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: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1472.533674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.533674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.533674 (E_RNA)
where:
Base-Base interactions energy: -950.463
where: short stacking energy: -422.454
Base-Backbone interact. energy: 0.434
local terms energy: -522.504741
where:
bonds (distance) C4'-P energy: -121.261
bonds (distance) P-C4' energy: -114.836
flat angles C4'-P-C4' energy: -110.237
flat angles P-C4'-P energy: -90.559
tors. eta vs tors. theta energy: -85.611
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: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -890.700077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.700077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.700077 (E_RNA)
where:
Base-Base interactions energy: -437.790
where: short stacking energy: -228.654
Base-Backbone interact. energy: 0.500
local terms energy: -453.410082
where:
bonds (distance) C4'-P energy: -127.851
bonds (distance) P-C4' energy: -128.930
flat angles C4'-P-C4' energy: -103.108
flat angles P-C4'-P energy: -73.149
tors. eta vs tors. theta energy: -20.371
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: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -765.998058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.998058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.998058 (E_RNA)
where:
Base-Base interactions energy: -355.058
where: short stacking energy: -201.434
Base-Backbone interact. energy: -0.376
local terms energy: -410.563976
where:
bonds (distance) C4'-P energy: -102.143
bonds (distance) P-C4' energy: -137.039
flat angles C4'-P-C4' energy: -87.435
flat angles P-C4'-P energy: -66.754
tors. eta vs tors. theta energy: -17.193
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: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2690.286177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.286177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.286177 (E_RNA)
where:
Base-Base interactions energy: -1898.593
where: short stacking energy: -767.986
Base-Backbone interact. energy: -2.771
local terms energy: -788.922710
where:
bonds (distance) C4'-P energy: -145.128
bonds (distance) P-C4' energy: -149.428
flat angles C4'-P-C4' energy: -158.001
flat angles P-C4'-P energy: -127.795
tors. eta vs tors. theta energy: -208.570
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: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2569.239214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.239214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.239214 (E_RNA)
where:
Base-Base interactions energy: -1799.249
where: short stacking energy: -783.853
Base-Backbone interact. energy: -2.827
local terms energy: -767.163048
where:
bonds (distance) C4'-P energy: -137.536
bonds (distance) P-C4' energy: -140.602
flat angles C4'-P-C4' energy: -167.982
flat angles P-C4'-P energy: -94.200
tors. eta vs tors. theta energy: -226.843
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: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2510.835338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.835338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.835338 (E_RNA)
where:
Base-Base interactions energy: -1716.260
where: short stacking energy: -742.690
Base-Backbone interact. energy: -3.206
local terms energy: -791.369384
where:
bonds (distance) C4'-P energy: -145.400
bonds (distance) P-C4' energy: -129.312
flat angles C4'-P-C4' energy: -171.261
flat angles P-C4'-P energy: -114.556
tors. eta vs tors. theta energy: -230.841
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: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2400.406480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.406480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.406480 (E_RNA)
where:
Base-Base interactions energy: -1633.406
where: short stacking energy: -727.640
Base-Backbone interact. energy: -4.513
local terms energy: -762.487639
where:
bonds (distance) C4'-P energy: -127.863
bonds (distance) P-C4' energy: -138.448
flat angles C4'-P-C4' energy: -163.301
flat angles P-C4'-P energy: -110.271
tors. eta vs tors. theta energy: -222.603
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: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2247.781561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.781561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.781561 (E_RNA)
where:
Base-Base interactions energy: -1584.624
where: short stacking energy: -649.519
Base-Backbone interact. energy: -1.407
local terms energy: -661.750631
where:
bonds (distance) C4'-P energy: -124.788
bonds (distance) P-C4' energy: -124.786
flat angles C4'-P-C4' energy: -145.328
flat angles P-C4'-P energy: -91.265
tors. eta vs tors. theta energy: -175.583
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: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2010.940204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.940204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.940204 (E_RNA)
where:
Base-Base interactions energy: -1373.906
where: short stacking energy: -587.370
Base-Backbone interact. energy: -1.288
local terms energy: -635.745641
where:
bonds (distance) C4'-P energy: -110.977
bonds (distance) P-C4' energy: -114.759
flat angles C4'-P-C4' energy: -141.587
flat angles P-C4'-P energy: -102.258
tors. eta vs tors. theta energy: -166.164
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: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1692.735743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.735743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.735743 (E_RNA)
where:
Base-Base interactions energy: -1116.703
where: short stacking energy: -493.226
Base-Backbone interact. energy: -2.102
local terms energy: -573.930969
where:
bonds (distance) C4'-P energy: -113.758
bonds (distance) P-C4' energy: -135.574
flat angles C4'-P-C4' energy: -123.693
flat angles P-C4'-P energy: -93.915
tors. eta vs tors. theta energy: -106.991
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: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1426.136516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.136516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.136516 (E_RNA)
where:
Base-Base interactions energy: -899.783
where: short stacking energy: -407.711
Base-Backbone interact. energy: -2.252
local terms energy: -524.100857
where:
bonds (distance) C4'-P energy: -116.606
bonds (distance) P-C4' energy: -134.971
flat angles C4'-P-C4' energy: -126.928
flat angles P-C4'-P energy: -58.442
tors. eta vs tors. theta energy: -87.154
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: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -821.507668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.507668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.507668 (E_RNA)
where:
Base-Base interactions energy: -437.752
where: short stacking energy: -244.833
Base-Backbone interact. energy: 3.612
local terms energy: -387.367428
where:
bonds (distance) C4'-P energy: -117.504
bonds (distance) P-C4' energy: -111.175
flat angles C4'-P-C4' energy: -90.090
flat angles P-C4'-P energy: -56.742
tors. eta vs tors. theta energy: -11.857
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: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -896.039052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.039052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.039052 (E_RNA)
where:
Base-Base interactions energy: -474.516
where: short stacking energy: -271.459
Base-Backbone interact. energy: 1.526
local terms energy: -423.049538
where:
bonds (distance) C4'-P energy: -119.890
bonds (distance) P-C4' energy: -119.455
flat angles C4'-P-C4' energy: -88.142
flat angles P-C4'-P energy: -74.618
tors. eta vs tors. theta energy: -20.945
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: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2654.868330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.868330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.868330 (E_RNA)
where:
Base-Base interactions energy: -1863.360
where: short stacking energy: -769.234
Base-Backbone interact. energy: -6.386
local terms energy: -785.122763
where:
bonds (distance) C4'-P energy: -153.414
bonds (distance) P-C4' energy: -137.919
flat angles C4'-P-C4' energy: -170.352
flat angles P-C4'-P energy: -108.267
tors. eta vs tors. theta energy: -215.172
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: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2555.536720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.536720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.536720 (E_RNA)
where:
Base-Base interactions energy: -1761.243
where: short stacking energy: -762.475
Base-Backbone interact. energy: -3.583
local terms energy: -790.710523
where:
bonds (distance) C4'-P energy: -130.621
bonds (distance) P-C4' energy: -148.532
flat angles C4'-P-C4' energy: -172.005
flat angles P-C4'-P energy: -118.770
tors. eta vs tors. theta energy: -220.783
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: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2544.631269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.631269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.631269 (E_RNA)
where:
Base-Base interactions energy: -1750.687
where: short stacking energy: -740.291
Base-Backbone interact. energy: -5.012
local terms energy: -788.932945
where:
bonds (distance) C4'-P energy: -127.227
bonds (distance) P-C4' energy: -141.613
flat angles C4'-P-C4' energy: -172.467
flat angles P-C4'-P energy: -117.450
tors. eta vs tors. theta energy: -230.176
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: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2368.391663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.391663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.391663 (E_RNA)
where:
Base-Base interactions energy: -1613.033
where: short stacking energy: -705.553
Base-Backbone interact. energy: -5.272
local terms energy: -750.086479
where:
bonds (distance) C4'-P energy: -139.567
bonds (distance) P-C4' energy: -144.179
flat angles C4'-P-C4' energy: -160.637
flat angles P-C4'-P energy: -99.823
tors. eta vs tors. theta energy: -205.881
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: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2254.333381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.333381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.333381 (E_RNA)
where:
Base-Base interactions energy: -1555.002
where: short stacking energy: -634.937
Base-Backbone interact. energy: 1.536
local terms energy: -700.866951
where:
bonds (distance) C4'-P energy: -131.339
bonds (distance) P-C4' energy: -143.448
flat angles C4'-P-C4' energy: -132.988
flat angles P-C4'-P energy: -109.186
tors. eta vs tors. theta energy: -183.906
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: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2008.913466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.913466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.913466 (E_RNA)
where:
Base-Base interactions energy: -1352.207
where: short stacking energy: -550.225
Base-Backbone interact. energy: 6.119
local terms energy: -662.824965
where:
bonds (distance) C4'-P energy: -120.106
bonds (distance) P-C4' energy: -135.400
flat angles C4'-P-C4' energy: -145.131
flat angles P-C4'-P energy: -100.666
tors. eta vs tors. theta energy: -161.522
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: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1643.764468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.764468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.764468 (E_RNA)
where:
Base-Base interactions energy: -1045.540
where: short stacking energy: -443.935
Base-Backbone interact. energy: -1.189
local terms energy: -597.035676
where:
bonds (distance) C4'-P energy: -136.329
bonds (distance) P-C4' energy: -144.286
flat angles C4'-P-C4' energy: -137.889
flat angles P-C4'-P energy: -78.463
tors. eta vs tors. theta energy: -100.069
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: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1372.482168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.482168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.482168 (E_RNA)
where:
Base-Base interactions energy: -885.991
where: short stacking energy: -397.764
Base-Backbone interact. energy: -1.636
local terms energy: -484.854901
where:
bonds (distance) C4'-P energy: -104.066
bonds (distance) P-C4' energy: -100.155
flat angles C4'-P-C4' energy: -128.062
flat angles P-C4'-P energy: -67.056
tors. eta vs tors. theta energy: -85.516
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: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -820.112095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.112095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.112095 (E_RNA)
where:
Base-Base interactions energy: -379.160
where: short stacking energy: -243.177
Base-Backbone interact. energy: -0.318
local terms energy: -440.634573
where:
bonds (distance) C4'-P energy: -120.572
bonds (distance) P-C4' energy: -140.387
flat angles C4'-P-C4' energy: -97.196
flat angles P-C4'-P energy: -65.672
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: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -795.725377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.725377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.725377 (E_RNA)
where:
Base-Base interactions energy: -401.536
where: short stacking energy: -226.646
Base-Backbone interact. energy: 12.753
local terms energy: -406.942485
where:
bonds (distance) C4'-P energy: -116.311
bonds (distance) P-C4' energy: -120.543
flat angles C4'-P-C4' energy: -104.446
flat angles P-C4'-P energy: -69.894
tors. eta vs tors. theta energy: 4.251
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: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2665.968758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.968758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.968758 (E_RNA)
where:
Base-Base interactions energy: -1841.225
where: short stacking energy: -747.010
Base-Backbone interact. energy: -2.353
local terms energy: -822.390673
where:
bonds (distance) C4'-P energy: -141.663
bonds (distance) P-C4' energy: -157.406
flat angles C4'-P-C4' energy: -179.715
flat angles P-C4'-P energy: -122.816
tors. eta vs tors. theta energy: -220.790
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: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2590.013212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.013212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.013212 (E_RNA)
where:
Base-Base interactions energy: -1814.111
where: short stacking energy: -789.303
Base-Backbone interact. energy: 0.963
local terms energy: -776.864757
where:
bonds (distance) C4'-P energy: -132.799
bonds (distance) P-C4' energy: -131.009
flat angles C4'-P-C4' energy: -165.643
flat angles P-C4'-P energy: -123.298
tors. eta vs tors. theta energy: -224.117
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: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2524.910805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.910805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.910805 (E_RNA)
where:
Base-Base interactions energy: -1737.809
where: short stacking energy: -763.627
Base-Backbone interact. energy: -2.335
local terms energy: -784.766540
where:
bonds (distance) C4'-P energy: -140.675
bonds (distance) P-C4' energy: -149.628
flat angles C4'-P-C4' energy: -156.592
flat angles P-C4'-P energy: -114.424
tors. eta vs tors. theta energy: -223.448
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: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2369.441346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.441346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.441346 (E_RNA)
where:
Base-Base interactions energy: -1640.676
where: short stacking energy: -715.879
Base-Backbone interact. energy: -1.604
local terms energy: -727.161214
where:
bonds (distance) C4'-P energy: -124.354
bonds (distance) P-C4' energy: -139.758
flat angles C4'-P-C4' energy: -156.351
flat angles P-C4'-P energy: -102.936
tors. eta vs tors. theta energy: -203.763
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: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2285.484050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.484050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.484050 (E_RNA)
where:
Base-Base interactions energy: -1592.693
where: short stacking energy: -666.493
Base-Backbone interact. energy: -2.451
local terms energy: -690.339393
where:
bonds (distance) C4'-P energy: -137.264
bonds (distance) P-C4' energy: -114.072
flat angles C4'-P-C4' energy: -154.182
flat angles P-C4'-P energy: -93.747
tors. eta vs tors. theta energy: -191.074
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: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2040.689693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.689693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.689693 (E_RNA)
where:
Base-Base interactions energy: -1385.066
where: short stacking energy: -625.222
Base-Backbone interact. energy: -1.043
local terms energy: -654.580564
where:
bonds (distance) C4'-P energy: -100.082
bonds (distance) P-C4' energy: -141.825
flat angles C4'-P-C4' energy: -151.114
flat angles P-C4'-P energy: -89.099
tors. eta vs tors. theta energy: -172.460
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: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1670.008468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.008468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.008468 (E_RNA)
where:
Base-Base interactions energy: -1113.970
where: short stacking energy: -504.271
Base-Backbone interact. energy: 1.673
local terms energy: -557.711548
where:
bonds (distance) C4'-P energy: -133.332
bonds (distance) P-C4' energy: -101.084
flat angles C4'-P-C4' energy: -136.491
flat angles P-C4'-P energy: -63.931
tors. eta vs tors. theta energy: -122.874
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: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1467.544159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.544159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.544159 (E_RNA)
where:
Base-Base interactions energy: -914.229
where: short stacking energy: -433.334
Base-Backbone interact. energy: -3.578
local terms energy: -549.737791
where:
bonds (distance) C4'-P energy: -109.656
bonds (distance) P-C4' energy: -125.169
flat angles C4'-P-C4' energy: -145.125
flat angles P-C4'-P energy: -70.923
tors. eta vs tors. theta energy: -98.865
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: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -914.678941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.678941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.678941 (E_RNA)
where:
Base-Base interactions energy: -492.144
where: short stacking energy: -263.804
Base-Backbone interact. energy: 4.027
local terms energy: -426.562286
where:
bonds (distance) C4'-P energy: -98.762
bonds (distance) P-C4' energy: -110.449
flat angles C4'-P-C4' energy: -113.722
flat angles P-C4'-P energy: -70.598
tors. eta vs tors. theta energy: -33.032
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: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -807.886889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.886889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.886889 (E_RNA)
where:
Base-Base interactions energy: -417.673
where: short stacking energy: -251.089
Base-Backbone interact. energy: 0.884
local terms energy: -391.098199
where:
bonds (distance) C4'-P energy: -100.627
bonds (distance) P-C4' energy: -100.868
flat angles C4'-P-C4' energy: -124.135
flat angles P-C4'-P energy: -53.689
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: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2669.332962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.332962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.332962 (E_RNA)
where:
Base-Base interactions energy: -1880.053
where: short stacking energy: -762.742
Base-Backbone interact. energy: -1.052
local terms energy: -788.228261
where:
bonds (distance) C4'-P energy: -147.090
bonds (distance) P-C4' energy: -148.746
flat angles C4'-P-C4' energy: -162.697
flat angles P-C4'-P energy: -109.927
tors. eta vs tors. theta energy: -219.767
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: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2555.753334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.753334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.753334 (E_RNA)
where:
Base-Base interactions energy: -1763.152
where: short stacking energy: -750.716
Base-Backbone interact. energy: -0.128
local terms energy: -792.472563
where:
bonds (distance) C4'-P energy: -142.093
bonds (distance) P-C4' energy: -157.942
flat angles C4'-P-C4' energy: -170.478
flat angles P-C4'-P energy: -96.333
tors. eta vs tors. theta energy: -225.626
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: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2512.441217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.441217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.441217 (E_RNA)
where:
Base-Base interactions energy: -1711.617
where: short stacking energy: -730.239
Base-Backbone interact. energy: -0.326
local terms energy: -800.498467
where:
bonds (distance) C4'-P energy: -135.965
bonds (distance) P-C4' energy: -154.326
flat angles C4'-P-C4' energy: -164.570
flat angles P-C4'-P energy: -108.044
tors. eta vs tors. theta energy: -237.594
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: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2366.219449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.219449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.219449 (E_RNA)
where:
Base-Base interactions energy: -1622.900
where: short stacking energy: -689.014
Base-Backbone interact. energy: 0.887
local terms energy: -744.206129
where:
bonds (distance) C4'-P energy: -134.237
bonds (distance) P-C4' energy: -136.728
flat angles C4'-P-C4' energy: -163.889
flat angles P-C4'-P energy: -110.602
tors. eta vs tors. theta energy: -198.750
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: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2318.064082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.064082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.064082 (E_RNA)
where:
Base-Base interactions energy: -1600.335
where: short stacking energy: -663.523
Base-Backbone interact. energy: -4.129
local terms energy: -713.599679
where:
bonds (distance) C4'-P energy: -130.055
bonds (distance) P-C4' energy: -130.043
flat angles C4'-P-C4' energy: -153.370
flat angles P-C4'-P energy: -113.004
tors. eta vs tors. theta energy: -187.127
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: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2065.201543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.201543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.201543 (E_RNA)
where:
Base-Base interactions energy: -1394.838
where: short stacking energy: -592.420
Base-Backbone interact. energy: -0.207
local terms energy: -670.157199
where:
bonds (distance) C4'-P energy: -142.140
bonds (distance) P-C4' energy: -133.532
flat angles C4'-P-C4' energy: -132.387
flat angles P-C4'-P energy: -96.298
tors. eta vs tors. theta energy: -165.800
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: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1592.876233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.876233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.876233 (E_RNA)
where:
Base-Base interactions energy: -1005.614
where: short stacking energy: -450.594
Base-Backbone interact. energy: -3.337
local terms energy: -583.925018
where:
bonds (distance) C4'-P energy: -125.113
bonds (distance) P-C4' energy: -138.782
flat angles C4'-P-C4' energy: -134.700
flat angles P-C4'-P energy: -84.222
tors. eta vs tors. theta energy: -101.108
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: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1400.571832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.571832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.571832 (E_RNA)
where:
Base-Base interactions energy: -891.125
where: short stacking energy: -408.353
Base-Backbone interact. energy: 0.316
local terms energy: -509.762119
where:
bonds (distance) C4'-P energy: -108.864
bonds (distance) P-C4' energy: -112.165
flat angles C4'-P-C4' energy: -107.434
flat angles P-C4'-P energy: -95.432
tors. eta vs tors. theta energy: -85.868
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: 467
Temperature: 1.300000
Total energy: -980.663002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.663002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.663002 (E_RNA)
where:
Base-Base interactions energy: -522.351
where: short stacking energy: -285.944
Base-Backbone interact. energy: 4.064
local terms energy: -462.376306
where:
bonds (distance) C4'-P energy: -113.521
bonds (distance) P-C4' energy: -119.752
flat angles C4'-P-C4' energy: -105.941
flat angles P-C4'-P energy: -94.721
tors. eta vs tors. theta energy: -28.441
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: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -776.605150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.605150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.605150 (E_RNA)
where:
Base-Base interactions energy: -376.577
where: short stacking energy: -225.549
Base-Backbone interact. energy: 1.093
local terms energy: -401.121057
where:
bonds (distance) C4'-P energy: -126.125
bonds (distance) P-C4' energy: -130.789
flat angles C4'-P-C4' energy: -97.768
flat angles P-C4'-P energy: -58.179
tors. eta vs tors. theta energy: 11.740
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: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2665.596917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.596917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.596917 (E_RNA)
where:
Base-Base interactions energy: -1842.557
where: short stacking energy: -761.598
Base-Backbone interact. energy: -2.518
local terms energy: -820.521688
where:
bonds (distance) C4'-P energy: -152.871
bonds (distance) P-C4' energy: -158.530
flat angles C4'-P-C4' energy: -176.685
flat angles P-C4'-P energy: -117.797
tors. eta vs tors. theta energy: -214.639
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: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2559.211891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.211891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.211891 (E_RNA)
where:
Base-Base interactions energy: -1779.916
where: short stacking energy: -764.131
Base-Backbone interact. energy: -4.847
local terms energy: -774.448502
where:
bonds (distance) C4'-P energy: -127.535
bonds (distance) P-C4' energy: -151.733
flat angles C4'-P-C4' energy: -157.348
flat angles P-C4'-P energy: -102.531
tors. eta vs tors. theta energy: -235.302
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: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2555.410313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.410313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.410313 (E_RNA)
where:
Base-Base interactions energy: -1768.236
where: short stacking energy: -761.753
Base-Backbone interact. energy: -2.679
local terms energy: -784.495773
where:
bonds (distance) C4'-P energy: -131.698
bonds (distance) P-C4' energy: -143.482
flat angles C4'-P-C4' energy: -153.118
flat angles P-C4'-P energy: -116.565
tors. eta vs tors. theta energy: -239.633
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: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2343.610041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.610041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.610041 (E_RNA)
where:
Base-Base interactions energy: -1614.166
where: short stacking energy: -700.195
Base-Backbone interact. energy: -1.259
local terms energy: -728.184780
where:
bonds (distance) C4'-P energy: -123.359
bonds (distance) P-C4' energy: -141.578
flat angles C4'-P-C4' energy: -158.901
flat angles P-C4'-P energy: -109.364
tors. eta vs tors. theta energy: -194.982
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: 5, replica: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2342.972550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.972550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.972550 (E_RNA)
where:
Base-Base interactions energy: -1608.688
where: short stacking energy: -683.323
Base-Backbone interact. energy: 0.021
local terms energy: -734.305566
where:
bonds (distance) C4'-P energy: -135.693
bonds (distance) P-C4' energy: -135.361
flat angles C4'-P-C4' energy: -156.330
flat angles P-C4'-P energy: -111.112
tors. eta vs tors. theta energy: -195.809
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: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2069.716959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.716959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.716959 (E_RNA)
where:
Base-Base interactions energy: -1385.665
where: short stacking energy: -576.542
Base-Backbone interact. energy: -1.759
local terms energy: -682.292900
where:
bonds (distance) C4'-P energy: -133.568
bonds (distance) P-C4' energy: -143.019
flat angles C4'-P-C4' energy: -144.844
flat angles P-C4'-P energy: -95.878
tors. eta vs tors. theta energy: -164.984
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: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1602.021228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.021228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.021228 (E_RNA)
where:
Base-Base interactions energy: -1040.959
where: short stacking energy: -473.425
Base-Backbone interact. energy: -1.167
local terms energy: -559.894721
where:
bonds (distance) C4'-P energy: -139.980
bonds (distance) P-C4' energy: -110.641
flat angles C4'-P-C4' energy: -122.744
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -106.965
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: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1461.584316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.584316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.584316 (E_RNA)
where:
Base-Base interactions energy: -926.564
where: short stacking energy: -430.509
Base-Backbone interact. energy: -4.728
local terms energy: -530.292107
where:
bonds (distance) C4'-P energy: -106.519
bonds (distance) P-C4' energy: -89.249
flat angles C4'-P-C4' energy: -119.296
flat angles P-C4'-P energy: -90.596
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: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1037.197176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.197176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.197176 (E_RNA)
where:
Base-Base interactions energy: -600.800
where: short stacking energy: -303.139
Base-Backbone interact. energy: 1.178
local terms energy: -437.575088
where:
bonds (distance) C4'-P energy: -92.782
bonds (distance) P-C4' energy: -115.717
flat angles C4'-P-C4' energy: -103.733
flat angles P-C4'-P energy: -83.621
tors. eta vs tors. theta energy: -41.723
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: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -817.553215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.553215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.553215 (E_RNA)
where:
Base-Base interactions energy: -401.255
where: short stacking energy: -211.247
Base-Backbone interact. energy: -3.230
local terms energy: -413.068129
where:
bonds (distance) C4'-P energy: -92.748
bonds (distance) P-C4' energy: -121.492
flat angles C4'-P-C4' energy: -125.926
flat angles P-C4'-P energy: -68.446
tors. eta vs tors. theta energy: -4.456
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: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2677.808130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.808130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.808130 (E_RNA)
where:
Base-Base interactions energy: -1872.183
where: short stacking energy: -780.644
Base-Backbone interact. energy: -1.112
local terms energy: -804.512915
where:
bonds (distance) C4'-P energy: -143.340
bonds (distance) P-C4' energy: -160.523
flat angles C4'-P-C4' energy: -172.625
flat angles P-C4'-P energy: -105.425
tors. eta vs tors. theta energy: -222.600
Dist. restrs. and SS energy: 0.000 (S_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: 469
Temperature: 0.950000
Total energy: -2578.434361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.434361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.434361 (E_RNA)
where:
Base-Base interactions energy: -1779.069
where: short stacking energy: -752.838
Base-Backbone interact. energy: -5.429
local terms energy: -793.936371
where:
bonds (distance) C4'-P energy: -137.114
bonds (distance) P-C4' energy: -137.323
flat angles C4'-P-C4' energy: -171.830
flat angles P-C4'-P energy: -112.299
tors. eta vs tors. theta energy: -235.371
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: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2512.573662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.573662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.573662 (E_RNA)
where:
Base-Base interactions energy: -1736.685
where: short stacking energy: -754.773
Base-Backbone interact. energy: -2.895
local terms energy: -772.993421
where:
bonds (distance) C4'-P energy: -143.763
bonds (distance) P-C4' energy: -142.108
flat angles C4'-P-C4' energy: -156.843
flat angles P-C4'-P energy: -99.408
tors. eta vs tors. theta energy: -230.872
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: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2371.847762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.847762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.847762 (E_RNA)
where:
Base-Base interactions energy: -1611.989
where: short stacking energy: -695.062
Base-Backbone interact. energy: -2.264
local terms energy: -757.594603
where:
bonds (distance) C4'-P energy: -136.409
bonds (distance) P-C4' energy: -141.655
flat angles C4'-P-C4' energy: -151.116
flat angles P-C4'-P energy: -116.594
tors. eta vs tors. theta energy: -211.821
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: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2306.961317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.961317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.961317 (E_RNA)
where:
Base-Base interactions energy: -1599.961
where: short stacking energy: -654.515
Base-Backbone interact. energy: -2.074
local terms energy: -704.926594
where:
bonds (distance) C4'-P energy: -117.743
bonds (distance) P-C4' energy: -141.410
flat angles C4'-P-C4' energy: -155.807
flat angles P-C4'-P energy: -99.589
tors. eta vs tors. theta energy: -190.377
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: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2038.899641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.899641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.899641 (E_RNA)
where:
Base-Base interactions energy: -1385.005
where: short stacking energy: -591.489
Base-Backbone interact. energy: -2.482
local terms energy: -651.412389
where:
bonds (distance) C4'-P energy: -126.754
bonds (distance) P-C4' energy: -125.257
flat angles C4'-P-C4' energy: -132.541
flat angles P-C4'-P energy: -89.703
tors. eta vs tors. theta energy: -177.156
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: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1591.997398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.997398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.997398 (E_RNA)
where:
Base-Base interactions energy: -1039.991
where: short stacking energy: -459.717
Base-Backbone interact. energy: 1.052
local terms energy: -553.057659
where:
bonds (distance) C4'-P energy: -116.519
bonds (distance) P-C4' energy: -132.338
flat angles C4'-P-C4' energy: -117.495
flat angles P-C4'-P energy: -84.917
tors. eta vs tors. theta energy: -101.788
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: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1501.560565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.560565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.560565 (E_RNA)
where:
Base-Base interactions energy: -952.301
where: short stacking energy: -413.457
Base-Backbone interact. energy: 1.744
local terms energy: -551.003560
where:
bonds (distance) C4'-P energy: -124.693
bonds (distance) P-C4' energy: -126.923
flat angles C4'-P-C4' energy: -144.261
flat angles P-C4'-P energy: -80.269
tors. eta vs tors. theta energy: -74.858
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: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -961.085995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.085995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.085995 (E_RNA)
where:
Base-Base interactions energy: -505.800
where: short stacking energy: -283.719
Base-Backbone interact. energy: 0.854
local terms energy: -456.139619
where:
bonds (distance) C4'-P energy: -114.448
bonds (distance) P-C4' energy: -123.002
flat angles C4'-P-C4' energy: -113.961
flat angles P-C4'-P energy: -73.991
tors. eta vs tors. theta energy: -30.737
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: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -835.390997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.390997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.390997 (E_RNA)
where:
Base-Base interactions energy: -467.803
where: short stacking energy: -257.504
Base-Backbone interact. energy: 7.123
local terms energy: -374.710602
where:
bonds (distance) C4'-P energy: -111.268
bonds (distance) P-C4' energy: -120.469
flat angles C4'-P-C4' energy: -84.172
flat angles P-C4'-P energy: -61.258
tors. eta vs tors. theta energy: 2.456
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: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2689.763119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.763119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.763119 (E_RNA)
where:
Base-Base interactions energy: -1911.413
where: short stacking energy: -770.730
Base-Backbone interact. energy: -3.090
local terms energy: -775.259583
where:
bonds (distance) C4'-P energy: -157.770
bonds (distance) P-C4' energy: -135.975
flat angles C4'-P-C4' energy: -153.184
flat angles P-C4'-P energy: -113.542
tors. eta vs tors. theta energy: -214.789
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: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2582.492264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.492264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.492264 (E_RNA)
where:
Base-Base interactions energy: -1805.072
where: short stacking energy: -767.939
Base-Backbone interact. energy: -3.922
local terms energy: -773.499007
where:
bonds (distance) C4'-P energy: -135.679
bonds (distance) P-C4' energy: -145.177
flat angles C4'-P-C4' energy: -154.461
flat angles P-C4'-P energy: -113.744
tors. eta vs tors. theta energy: -224.438
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: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2551.568523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.568523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.568523 (E_RNA)
where:
Base-Base interactions energy: -1756.243
where: short stacking energy: -783.309
Base-Backbone interact. energy: -5.388
local terms energy: -789.937696
where:
bonds (distance) C4'-P energy: -134.459
bonds (distance) P-C4' energy: -140.448
flat angles C4'-P-C4' energy: -162.787
flat angles P-C4'-P energy: -110.278
tors. eta vs tors. theta energy: -241.966
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: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2364.747027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.747027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.747027 (E_RNA)
where:
Base-Base interactions energy: -1603.592
where: short stacking energy: -700.248
Base-Backbone interact. energy: -2.485
local terms energy: -758.669560
where:
bonds (distance) C4'-P energy: -145.519
bonds (distance) P-C4' energy: -142.830
flat angles C4'-P-C4' energy: -145.767
flat angles P-C4'-P energy: -112.712
tors. eta vs tors. theta energy: -211.842
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: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2273.715677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.715677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.715677 (E_RNA)
where:
Base-Base interactions energy: -1578.174
where: short stacking energy: -693.111
Base-Backbone interact. energy: -0.033
local terms energy: -695.508629
where:
bonds (distance) C4'-P energy: -140.969
bonds (distance) P-C4' energy: -117.135
flat angles C4'-P-C4' energy: -154.785
flat angles P-C4'-P energy: -94.758
tors. eta vs tors. theta energy: -187.862
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: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1938.192275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.192275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.192275 (E_RNA)
where:
Base-Base interactions energy: -1309.664
where: short stacking energy: -565.722
Base-Backbone interact. energy: -2.347
local terms energy: -626.180876
where:
bonds (distance) C4'-P energy: -119.934
bonds (distance) P-C4' energy: -110.669
flat angles C4'-P-C4' energy: -146.601
flat angles P-C4'-P energy: -89.046
tors. eta vs tors. theta energy: -159.930
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: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1637.810432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.810432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.810432 (E_RNA)
where:
Base-Base interactions energy: -1073.348
where: short stacking energy: -474.840
Base-Backbone interact. energy: -0.541
local terms energy: -563.921867
where:
bonds (distance) C4'-P energy: -111.685
bonds (distance) P-C4' energy: -129.787
flat angles C4'-P-C4' energy: -125.040
flat angles P-C4'-P energy: -81.157
tors. eta vs tors. theta energy: -116.253
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: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1475.480202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.480202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.480202 (E_RNA)
where:
Base-Base interactions energy: -969.113
where: short stacking energy: -444.241
Base-Backbone interact. energy: -2.530
local terms energy: -503.837173
where:
bonds (distance) C4'-P energy: -105.937
bonds (distance) P-C4' energy: -123.753
flat angles C4'-P-C4' energy: -122.679
flat angles P-C4'-P energy: -70.881
tors. eta vs tors. theta energy: -80.587
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: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -923.083936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.083936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.083936 (E_RNA)
where:
Base-Base interactions energy: -498.980
where: short stacking energy: -248.452
Base-Backbone interact. energy: 7.463
local terms energy: -431.566787
where:
bonds (distance) C4'-P energy: -122.359
bonds (distance) P-C4' energy: -124.652
flat angles C4'-P-C4' energy: -109.867
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: -16.681
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: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -812.324864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.324864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.324864 (E_RNA)
where:
Base-Base interactions energy: -406.628
where: short stacking energy: -227.079
Base-Backbone interact. energy: 1.745
local terms energy: -407.442338
where:
bonds (distance) C4'-P energy: -109.485
bonds (distance) P-C4' energy: -123.703
flat angles C4'-P-C4' energy: -115.785
flat angles P-C4'-P energy: -63.589
tors. eta vs tors. theta energy: 5.119
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: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2693.974277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.974277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.974277 (E_RNA)
where:
Base-Base interactions energy: -1894.791
where: short stacking energy: -756.920
Base-Backbone interact. energy: -5.289
local terms energy: -793.894276
where:
bonds (distance) C4'-P energy: -149.290
bonds (distance) P-C4' energy: -149.461
flat angles C4'-P-C4' energy: -165.977
flat angles P-C4'-P energy: -111.482
tors. eta vs tors. theta energy: -217.685
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: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2567.872026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.872026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.872026 (E_RNA)
where:
Base-Base interactions energy: -1805.544
where: short stacking energy: -771.301
Base-Backbone interact. energy: -3.712
local terms energy: -758.615910
where:
bonds (distance) C4'-P energy: -150.755
bonds (distance) P-C4' energy: -122.365
flat angles C4'-P-C4' energy: -166.314
flat angles P-C4'-P energy: -98.624
tors. eta vs tors. theta energy: -220.557
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: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2545.645251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.645251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.645251 (E_RNA)
where:
Base-Base interactions energy: -1749.018
where: short stacking energy: -758.297
Base-Backbone interact. energy: -3.009
local terms energy: -793.618224
where:
bonds (distance) C4'-P energy: -132.184
bonds (distance) P-C4' energy: -137.951
flat angles C4'-P-C4' energy: -169.875
flat angles P-C4'-P energy: -113.465
tors. eta vs tors. theta energy: -240.143
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: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2349.074990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.074990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.074990 (E_RNA)
where:
Base-Base interactions energy: -1612.746
where: short stacking energy: -723.700
Base-Backbone interact. energy: -0.807
local terms energy: -735.521773
where:
bonds (distance) C4'-P energy: -143.653
bonds (distance) P-C4' energy: -141.758
flat angles C4'-P-C4' energy: -143.780
flat angles P-C4'-P energy: -100.413
tors. eta vs tors. theta energy: -205.918
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: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2308.653614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.653614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.653614 (E_RNA)
where:
Base-Base interactions energy: -1593.521
where: short stacking energy: -663.307
Base-Backbone interact. energy: -0.571
local terms energy: -714.561999
where:
bonds (distance) C4'-P energy: -128.738
bonds (distance) P-C4' energy: -139.541
flat angles C4'-P-C4' energy: -164.433
flat angles P-C4'-P energy: -90.101
tors. eta vs tors. theta energy: -191.748
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: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1987.338912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.338912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.338912 (E_RNA)
where:
Base-Base interactions energy: -1358.472
where: short stacking energy: -613.400
Base-Backbone interact. energy: 0.204
local terms energy: -629.071505
where:
bonds (distance) C4'-P energy: -107.687
bonds (distance) P-C4' energy: -120.689
flat angles C4'-P-C4' energy: -137.089
flat angles P-C4'-P energy: -99.387
tors. eta vs tors. theta energy: -164.220
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: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1614.352696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.352696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.352696 (E_RNA)
where:
Base-Base interactions energy: -1073.215
where: short stacking energy: -474.434
Base-Backbone interact. energy: -0.523
local terms energy: -540.615089
where:
bonds (distance) C4'-P energy: -117.442
bonds (distance) P-C4' energy: -128.115
flat angles C4'-P-C4' energy: -125.076
flat angles P-C4'-P energy: -74.163
tors. eta vs tors. theta energy: -95.818
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: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1611.553435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.553435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.553435 (E_RNA)
where:
Base-Base interactions energy: -1049.575
where: short stacking energy: -477.279
Base-Backbone interact. energy: -4.184
local terms energy: -557.794613
where:
bonds (distance) C4'-P energy: -131.642
bonds (distance) P-C4' energy: -102.144
flat angles C4'-P-C4' energy: -138.951
flat angles P-C4'-P energy: -78.297
tors. eta vs tors. theta energy: -106.760
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: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -936.282975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.282975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.282975 (E_RNA)
where:
Base-Base interactions energy: -511.677
where: short stacking energy: -283.153
Base-Backbone interact. energy: 3.470
local terms energy: -428.075946
where:
bonds (distance) C4'-P energy: -120.571
bonds (distance) P-C4' energy: -115.145
flat angles C4'-P-C4' energy: -121.200
flat angles P-C4'-P energy: -59.239
tors. eta vs tors. theta energy: -11.921
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: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -808.260814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.260814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.260814 (E_RNA)
where:
Base-Base interactions energy: -429.406
where: short stacking energy: -251.085
Base-Backbone interact. energy: 0.161
local terms energy: -379.016218
where:
bonds (distance) C4'-P energy: -102.170
bonds (distance) P-C4' energy: -125.157
flat angles C4'-P-C4' energy: -97.584
flat angles P-C4'-P energy: -57.554
tors. eta vs tors. theta energy: 3.448
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: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2734.389837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.389837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.389837 (E_RNA)
where:
Base-Base interactions energy: -1929.587
where: short stacking energy: -793.588
Base-Backbone interact. energy: -0.033
local terms energy: -804.769478
where:
bonds (distance) C4'-P energy: -144.581
bonds (distance) P-C4' energy: -148.457
flat angles C4'-P-C4' energy: -171.062
flat angles P-C4'-P energy: -113.668
tors. eta vs tors. theta energy: -227.001
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: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2613.765140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.765140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.765140 (E_RNA)
where:
Base-Base interactions energy: -1817.480
where: short stacking energy: -795.014
Base-Backbone interact. energy: -4.511
local terms energy: -791.774249
where:
bonds (distance) C4'-P energy: -144.954
bonds (distance) P-C4' energy: -146.709
flat angles C4'-P-C4' energy: -169.927
flat angles P-C4'-P energy: -97.328
tors. eta vs tors. theta energy: -232.856
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: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2553.647591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.647591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.647591 (E_RNA)
where:
Base-Base interactions energy: -1782.959
where: short stacking energy: -784.833
Base-Backbone interact. energy: -3.752
local terms energy: -766.936962
where:
bonds (distance) C4'-P energy: -136.821
bonds (distance) P-C4' energy: -136.661
flat angles C4'-P-C4' energy: -155.391
flat angles P-C4'-P energy: -104.264
tors. eta vs tors. theta energy: -233.800
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: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2311.972912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.972912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.972912 (E_RNA)
where:
Base-Base interactions energy: -1571.288
where: short stacking energy: -692.952
Base-Backbone interact. energy: -1.551
local terms energy: -739.134107
where:
bonds (distance) C4'-P energy: -131.028
bonds (distance) P-C4' energy: -149.504
flat angles C4'-P-C4' energy: -158.801
flat angles P-C4'-P energy: -110.322
tors. eta vs tors. theta energy: -189.479
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: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2260.169768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.169768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.169768 (E_RNA)
where:
Base-Base interactions energy: -1576.442
where: short stacking energy: -641.267
Base-Backbone interact. energy: 1.694
local terms energy: -685.421603
where:
bonds (distance) C4'-P energy: -145.795
bonds (distance) P-C4' energy: -124.401
flat angles C4'-P-C4' energy: -144.363
flat angles P-C4'-P energy: -92.673
tors. eta vs tors. theta energy: -178.191
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: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2006.740144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.740144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.740144 (E_RNA)
where:
Base-Base interactions energy: -1342.314
where: short stacking energy: -597.218
Base-Backbone interact. energy: -2.001
local terms energy: -662.425086
where:
bonds (distance) C4'-P energy: -129.062
bonds (distance) P-C4' energy: -127.658
flat angles C4'-P-C4' energy: -153.020
flat angles P-C4'-P energy: -89.279
tors. eta vs tors. theta energy: -163.407
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: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1643.096246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.096246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.096246 (E_RNA)
where:
Base-Base interactions energy: -1071.277
where: short stacking energy: -502.935
Base-Backbone interact. energy: 2.335
local terms energy: -574.154047
where:
bonds (distance) C4'-P energy: -116.882
bonds (distance) P-C4' energy: -131.832
flat angles C4'-P-C4' energy: -122.602
flat angles P-C4'-P energy: -88.792
tors. eta vs tors. theta energy: -114.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1550.730511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.730511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.730511 (E_RNA)
where:
Base-Base interactions energy: -1014.856
where: short stacking energy: -441.253
Base-Backbone interact. energy: 4.534
local terms energy: -540.407996
where:
bonds (distance) C4'-P energy: -117.294
bonds (distance) P-C4' energy: -117.865
flat angles C4'-P-C4' energy: -128.565
flat angles P-C4'-P energy: -79.871
tors. eta vs tors. theta energy: -96.814
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: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -901.663170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.663170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.663170 (E_RNA)
where:
Base-Base interactions energy: -476.371
where: short stacking energy: -253.959
Base-Backbone interact. energy: 1.022
local terms energy: -426.314511
where:
bonds (distance) C4'-P energy: -101.410
bonds (distance) P-C4' energy: -130.680
flat angles C4'-P-C4' energy: -99.394
flat angles P-C4'-P energy: -77.629
tors. eta vs tors. theta energy: -17.202
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: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -812.312882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.312882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.312882 (E_RNA)
where:
Base-Base interactions energy: -400.327
where: short stacking energy: -229.414
Base-Backbone interact. energy: 0.977
local terms energy: -412.962893
where:
bonds (distance) C4'-P energy: -106.942
bonds (distance) P-C4' energy: -127.753
flat angles C4'-P-C4' energy: -105.146
flat angles P-C4'-P energy: -50.778
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: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2662.963664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.963664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.963664 (E_RNA)
where:
Base-Base interactions energy: -1847.658
where: short stacking energy: -742.314
Base-Backbone interact. energy: -2.692
local terms energy: -812.613245
where:
bonds (distance) C4'-P energy: -145.962
bonds (distance) P-C4' energy: -165.600
flat angles C4'-P-C4' energy: -183.172
flat angles P-C4'-P energy: -104.731
tors. eta vs tors. theta energy: -213.148
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: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2571.882380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.882380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.882380 (E_RNA)
where:
Base-Base interactions energy: -1771.237
where: short stacking energy: -752.581
Base-Backbone interact. energy: -2.980
local terms energy: -797.665381
where:
bonds (distance) C4'-P energy: -136.283
bonds (distance) P-C4' energy: -152.307
flat angles C4'-P-C4' energy: -176.781
flat angles P-C4'-P energy: -103.254
tors. eta vs tors. theta energy: -229.039
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: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2523.374832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.374832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.374832 (E_RNA)
where:
Base-Base interactions energy: -1729.618
where: short stacking energy: -762.606
Base-Backbone interact. energy: -1.641
local terms energy: -792.116377
where:
bonds (distance) C4'-P energy: -143.160
bonds (distance) P-C4' energy: -142.787
flat angles C4'-P-C4' energy: -168.110
flat angles P-C4'-P energy: -105.588
tors. eta vs tors. theta energy: -232.471
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: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2313.122378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.122378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.122378 (E_RNA)
where:
Base-Base interactions energy: -1608.154
where: short stacking energy: -709.183
Base-Backbone interact. energy: -1.163
local terms energy: -703.805050
where:
bonds (distance) C4'-P energy: -120.283
bonds (distance) P-C4' energy: -139.561
flat angles C4'-P-C4' energy: -146.783
flat angles P-C4'-P energy: -101.261
tors. eta vs tors. theta energy: -195.918
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: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2293.679864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.679864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.679864 (E_RNA)
where:
Base-Base interactions energy: -1600.596
where: short stacking energy: -684.550
Base-Backbone interact. energy: -3.304
local terms energy: -689.779810
where:
bonds (distance) C4'-P energy: -125.435
bonds (distance) P-C4' energy: -126.879
flat angles C4'-P-C4' energy: -144.473
flat angles P-C4'-P energy: -98.359
tors. eta vs tors. theta energy: -194.634
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: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2004.793995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.793995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.793995 (E_RNA)
where:
Base-Base interactions energy: -1350.486
where: short stacking energy: -588.123
Base-Backbone interact. energy: 0.480
local terms energy: -654.787238
where:
bonds (distance) C4'-P energy: -124.129
bonds (distance) P-C4' energy: -122.380
flat angles C4'-P-C4' energy: -147.799
flat angles P-C4'-P energy: -90.897
tors. eta vs tors. theta energy: -169.583
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: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1626.531497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.531497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.531497 (E_RNA)
where:
Base-Base interactions energy: -1040.863
where: short stacking energy: -465.186
Base-Backbone interact. energy: -1.429
local terms energy: -584.239325
where:
bonds (distance) C4'-P energy: -138.357
bonds (distance) P-C4' energy: -121.553
flat angles C4'-P-C4' energy: -135.562
flat angles P-C4'-P energy: -72.768
tors. eta vs tors. theta energy: -116.000
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: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1540.798287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.798287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.798287 (E_RNA)
where:
Base-Base interactions energy: -964.400
where: short stacking energy: -405.360
Base-Backbone interact. energy: 1.437
local terms energy: -577.835620
where:
bonds (distance) C4'-P energy: -140.271
bonds (distance) P-C4' energy: -137.361
flat angles C4'-P-C4' energy: -132.248
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -93.671
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: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -914.554378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.554378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.554378 (E_RNA)
where:
Base-Base interactions energy: -496.335
where: short stacking energy: -281.690
Base-Backbone interact. energy: -0.298
local terms energy: -417.921707
where:
bonds (distance) C4'-P energy: -121.758
bonds (distance) P-C4' energy: -124.978
flat angles C4'-P-C4' energy: -89.763
flat angles P-C4'-P energy: -47.806
tors. eta vs tors. theta energy: -33.617
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: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -870.594480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.594480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.594480 (E_RNA)
where:
Base-Base interactions energy: -462.414
where: short stacking energy: -241.686
Base-Backbone interact. energy: -0.831
local terms energy: -407.349124
where:
bonds (distance) C4'-P energy: -107.881
bonds (distance) P-C4' energy: -115.379
flat angles C4'-P-C4' energy: -111.614
flat angles P-C4'-P energy: -47.032
tors. eta vs tors. theta energy: -25.443
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: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2669.953871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.953871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.953871 (E_RNA)
where:
Base-Base interactions energy: -1892.269
where: short stacking energy: -773.972
Base-Backbone interact. energy: 1.283
local terms energy: -778.967888
where:
bonds (distance) C4'-P energy: -138.157
bonds (distance) P-C4' energy: -147.651
flat angles C4'-P-C4' energy: -162.826
flat angles P-C4'-P energy: -119.167
tors. eta vs tors. theta energy: -211.167
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: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2590.401713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.401713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.401713 (E_RNA)
where:
Base-Base interactions energy: -1800.733
where: short stacking energy: -789.515
Base-Backbone interact. energy: -4.961
local terms energy: -784.708121
where:
bonds (distance) C4'-P energy: -145.448
bonds (distance) P-C4' energy: -131.880
flat angles C4'-P-C4' energy: -172.527
flat angles P-C4'-P energy: -107.068
tors. eta vs tors. theta energy: -227.785
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: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2537.219025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.219025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.219025 (E_RNA)
where:
Base-Base interactions energy: -1739.108
where: short stacking energy: -753.137
Base-Backbone interact. energy: -0.509
local terms energy: -797.602386
where:
bonds (distance) C4'-P energy: -135.404
bonds (distance) P-C4' energy: -140.031
flat angles C4'-P-C4' energy: -165.058
flat angles P-C4'-P energy: -120.006
tors. eta vs tors. theta energy: -237.103
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: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2319.880875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.880875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.880875 (E_RNA)
where:
Base-Base interactions energy: -1592.150
where: short stacking energy: -715.141
Base-Backbone interact. energy: 0.601
local terms energy: -728.332125
where:
bonds (distance) C4'-P energy: -135.889
bonds (distance) P-C4' energy: -136.342
flat angles C4'-P-C4' energy: -152.342
flat angles P-C4'-P energy: -93.717
tors. eta vs tors. theta energy: -210.042
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: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2287.603109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.603109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.603109 (E_RNA)
where:
Base-Base interactions energy: -1604.809
where: short stacking energy: -672.413
Base-Backbone interact. energy: -3.228
local terms energy: -679.566321
where:
bonds (distance) C4'-P energy: -128.363
bonds (distance) P-C4' energy: -119.024
flat angles C4'-P-C4' energy: -148.261
flat angles P-C4'-P energy: -103.926
tors. eta vs tors. theta energy: -179.991
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: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1969.750915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.750915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.750915 (E_RNA)
where:
Base-Base interactions energy: -1326.647
where: short stacking energy: -620.031
Base-Backbone interact. energy: -0.564
local terms energy: -642.540262
where:
bonds (distance) C4'-P energy: -122.335
bonds (distance) P-C4' energy: -116.218
flat angles C4'-P-C4' energy: -155.176
flat angles P-C4'-P energy: -91.767
tors. eta vs tors. theta energy: -157.044
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: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1636.198648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.198648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.198648 (E_RNA)
where:
Base-Base interactions energy: -1087.394
where: short stacking energy: -496.841
Base-Backbone interact. energy: 1.837
local terms energy: -550.641017
where:
bonds (distance) C4'-P energy: -104.338
bonds (distance) P-C4' energy: -126.355
flat angles C4'-P-C4' energy: -128.394
flat angles P-C4'-P energy: -60.795
tors. eta vs tors. theta energy: -130.758
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: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1547.057066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.057066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.057066 (E_RNA)
where:
Base-Base interactions energy: -1023.939
where: short stacking energy: -435.136
Base-Backbone interact. energy: 6.350
local terms energy: -529.468168
where:
bonds (distance) C4'-P energy: -117.429
bonds (distance) P-C4' energy: -116.500
flat angles C4'-P-C4' energy: -111.626
flat angles P-C4'-P energy: -83.945
tors. eta vs tors. theta energy: -99.968
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: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -876.756720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.756720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.756720 (E_RNA)
where:
Base-Base interactions energy: -463.391
where: short stacking energy: -248.133
Base-Backbone interact. energy: -4.489
local terms energy: -408.876811
where:
bonds (distance) C4'-P energy: -117.734
bonds (distance) P-C4' energy: -123.748
flat angles C4'-P-C4' energy: -107.258
flat angles P-C4'-P energy: -58.348
tors. eta vs tors. theta energy: -1.788
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: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -865.843149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.843149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.843149 (E_RNA)
where:
Base-Base interactions energy: -469.524
where: short stacking energy: -238.078
Base-Backbone interact. energy: 0.744
local terms energy: -397.063418
where:
bonds (distance) C4'-P energy: -120.919
bonds (distance) P-C4' energy: -105.395
flat angles C4'-P-C4' energy: -111.852
flat angles P-C4'-P energy: -59.199
tors. eta vs tors. theta energy: 0.300
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: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2666.223912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.223912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.223912 (E_RNA)
where:
Base-Base interactions energy: -1892.758
where: short stacking energy: -760.512
Base-Backbone interact. energy: -3.693
local terms energy: -769.773617
where:
bonds (distance) C4'-P energy: -138.536
bonds (distance) P-C4' energy: -142.532
flat angles C4'-P-C4' energy: -170.628
flat angles P-C4'-P energy: -107.412
tors. eta vs tors. theta energy: -210.666
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: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2579.311780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.311780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.311780 (E_RNA)
where:
Base-Base interactions energy: -1799.755
where: short stacking energy: -735.397
Base-Backbone interact. energy: -3.732
local terms energy: -775.824400
where:
bonds (distance) C4'-P energy: -126.192
bonds (distance) P-C4' energy: -138.461
flat angles C4'-P-C4' energy: -173.747
flat angles P-C4'-P energy: -109.474
tors. eta vs tors. theta energy: -227.950
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: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2541.125655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.125655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.125655 (E_RNA)
where:
Base-Base interactions energy: -1735.926
where: short stacking energy: -755.314
Base-Backbone interact. energy: 0.781
local terms energy: -805.980351
where:
bonds (distance) C4'-P energy: -147.387
bonds (distance) P-C4' energy: -154.131
flat angles C4'-P-C4' energy: -151.379
flat angles P-C4'-P energy: -116.028
tors. eta vs tors. theta energy: -237.056
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: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2370.424499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.424499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.424499 (E_RNA)
where:
Base-Base interactions energy: -1634.953
where: short stacking energy: -723.960
Base-Backbone interact. energy: -2.286
local terms energy: -733.185308
where:
bonds (distance) C4'-P energy: -151.785
bonds (distance) P-C4' energy: -119.422
flat angles C4'-P-C4' energy: -156.429
flat angles P-C4'-P energy: -96.159
tors. eta vs tors. theta energy: -209.391
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: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2209.891480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.891480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.891480 (E_RNA)
where:
Base-Base interactions energy: -1541.790
where: short stacking energy: -623.655
Base-Backbone interact. energy: 1.922
local terms energy: -670.022769
where:
bonds (distance) C4'-P energy: -126.576
bonds (distance) P-C4' energy: -144.687
flat angles C4'-P-C4' energy: -155.000
flat angles P-C4'-P energy: -82.506
tors. eta vs tors. theta energy: -161.254
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: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1985.457972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.457972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.457972 (E_RNA)
where:
Base-Base interactions energy: -1346.066
where: short stacking energy: -600.484
Base-Backbone interact. energy: -1.925
local terms energy: -637.467279
where:
bonds (distance) C4'-P energy: -121.653
bonds (distance) P-C4' energy: -116.497
flat angles C4'-P-C4' energy: -148.556
flat angles P-C4'-P energy: -81.191
tors. eta vs tors. theta energy: -169.572
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: 475
Temperature: 1.200000
Total energy: -1688.555807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.555807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.555807 (E_RNA)
where:
Base-Base interactions energy: -1091.741
where: short stacking energy: -496.307
Base-Backbone interact. energy: 0.462
local terms energy: -597.276505
where:
bonds (distance) C4'-P energy: -111.996
bonds (distance) P-C4' energy: -130.586
flat angles C4'-P-C4' energy: -150.669
flat angles P-C4'-P energy: -91.387
tors. eta vs tors. theta energy: -112.638
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: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1472.815158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.815158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.815158 (E_RNA)
where:
Base-Base interactions energy: -929.784
where: short stacking energy: -401.320
Base-Backbone interact. energy: 0.717
local terms energy: -543.748076
where:
bonds (distance) C4'-P energy: -131.332
bonds (distance) P-C4' energy: -138.807
flat angles C4'-P-C4' energy: -119.951
flat angles P-C4'-P energy: -60.964
tors. eta vs tors. theta energy: -92.694
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: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -858.701192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.701192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.701192 (E_RNA)
where:
Base-Base interactions energy: -421.860
where: short stacking energy: -226.104
Base-Backbone interact. energy: -0.377
local terms energy: -436.463393
where:
bonds (distance) C4'-P energy: -121.802
bonds (distance) P-C4' energy: -125.067
flat angles C4'-P-C4' energy: -117.820
flat angles P-C4'-P energy: -64.755
tors. eta vs tors. theta energy: -7.018
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: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -814.457234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.457234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.457234 (E_RNA)
where:
Base-Base interactions energy: -448.493
where: short stacking energy: -240.637
Base-Backbone interact. energy: 1.085
local terms energy: -367.048858
where:
bonds (distance) C4'-P energy: -112.513
bonds (distance) P-C4' energy: -107.891
flat angles C4'-P-C4' energy: -99.138
flat angles P-C4'-P energy: -49.911
tors. eta vs tors. theta energy: 2.404
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: 476
Temperature: 0.900000
Total energy: -2666.956658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.956658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.956658 (E_RNA)
where:
Base-Base interactions energy: -1863.601
where: short stacking energy: -761.638
Base-Backbone interact. energy: -2.399
local terms energy: -800.956368
where:
bonds (distance) C4'-P energy: -137.290
bonds (distance) P-C4' energy: -157.697
flat angles C4'-P-C4' energy: -171.530
flat angles P-C4'-P energy: -120.901
tors. eta vs tors. theta energy: -213.537
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: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2611.561219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.561219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.561219 (E_RNA)
where:
Base-Base interactions energy: -1822.730
where: short stacking energy: -781.015
Base-Backbone interact. energy: -2.047
local terms energy: -786.784099
where:
bonds (distance) C4'-P energy: -141.578
bonds (distance) P-C4' energy: -141.244
flat angles C4'-P-C4' energy: -161.458
flat angles P-C4'-P energy: -118.386
tors. eta vs tors. theta energy: -224.118
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: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2559.201311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.201311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.201311 (E_RNA)
where:
Base-Base interactions energy: -1740.439
where: short stacking energy: -786.389
Base-Backbone interact. energy: -4.501
local terms energy: -814.261154
where:
bonds (distance) C4'-P energy: -124.964
bonds (distance) P-C4' energy: -154.893
flat angles C4'-P-C4' energy: -164.346
flat angles P-C4'-P energy: -118.900
tors. eta vs tors. theta energy: -251.158
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: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2328.388630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.388630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.388630 (E_RNA)
where:
Base-Base interactions energy: -1588.578
where: short stacking energy: -724.552
Base-Backbone interact. energy: -2.121
local terms energy: -737.689122
where:
bonds (distance) C4'-P energy: -137.564
bonds (distance) P-C4' energy: -128.286
flat angles C4'-P-C4' energy: -153.230
flat angles P-C4'-P energy: -123.073
tors. eta vs tors. theta energy: -195.536
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: 476
Temperature: 1.100000
Total energy: -2246.917780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.917780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.917780 (E_RNA)
where:
Base-Base interactions energy: -1581.930
where: short stacking energy: -677.587
Base-Backbone interact. energy: -0.285
local terms energy: -664.703095
where:
bonds (distance) C4'-P energy: -123.143
bonds (distance) P-C4' energy: -108.216
flat angles C4'-P-C4' energy: -150.106
flat angles P-C4'-P energy: -97.670
tors. eta vs tors. theta energy: -185.568
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: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1999.400918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.400918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.400918 (E_RNA)
where:
Base-Base interactions energy: -1361.947
where: short stacking energy: -619.464
Base-Backbone interact. energy: 0.714
local terms energy: -638.167047
where:
bonds (distance) C4'-P energy: -105.685
bonds (distance) P-C4' energy: -128.674
flat angles C4'-P-C4' energy: -134.771
flat angles P-C4'-P energy: -93.514
tors. eta vs tors. theta energy: -175.523
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: 476
Temperature: 1.200000
Total energy: -1661.406013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.406013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.406013 (E_RNA)
where:
Base-Base interactions energy: -1070.712
where: short stacking energy: -462.403
Base-Backbone interact. energy: 0.138
local terms energy: -590.832550
where:
bonds (distance) C4'-P energy: -132.311
bonds (distance) P-C4' energy: -122.566
flat angles C4'-P-C4' energy: -125.423
flat angles P-C4'-P energy: -87.791
tors. eta vs tors. theta energy: -122.741
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: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1536.699145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.699145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.699145 (E_RNA)
where:
Base-Base interactions energy: -989.675
where: short stacking energy: -414.599
Base-Backbone interact. energy: 0.006
local terms energy: -547.030498
where:
bonds (distance) C4'-P energy: -120.532
bonds (distance) P-C4' energy: -109.264
flat angles C4'-P-C4' energy: -126.464
flat angles P-C4'-P energy: -93.345
tors. eta vs tors. theta energy: -97.427
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: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -850.780934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.780934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.780934 (E_RNA)
where:
Base-Base interactions energy: -441.676
where: short stacking energy: -229.998
Base-Backbone interact. energy: -0.514
local terms energy: -408.590808
where:
bonds (distance) C4'-P energy: -125.332
bonds (distance) P-C4' energy: -125.245
flat angles C4'-P-C4' energy: -109.396
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: 2.697
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: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -764.965168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.965168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.965168 (E_RNA)
where:
Base-Base interactions energy: -355.430
where: short stacking energy: -207.470
Base-Backbone interact. energy: -4.911
local terms energy: -404.624104
where:
bonds (distance) C4'-P energy: -121.621
bonds (distance) P-C4' energy: -134.482
flat angles C4'-P-C4' energy: -85.473
flat angles P-C4'-P energy: -56.054
tors. eta vs tors. theta energy: -6.994
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: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2676.244848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.244848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.244848 (E_RNA)
where:
Base-Base interactions energy: -1875.808
where: short stacking energy: -763.627
Base-Backbone interact. energy: 0.635
local terms energy: -801.072044
where:
bonds (distance) C4'-P energy: -152.190
bonds (distance) P-C4' energy: -150.065
flat angles C4'-P-C4' energy: -168.161
flat angles P-C4'-P energy: -108.729
tors. eta vs tors. theta energy: -221.927
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: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2626.524056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.524056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.524056 (E_RNA)
where:
Base-Base interactions energy: -1823.513
where: short stacking energy: -791.340
Base-Backbone interact. energy: -3.574
local terms energy: -799.436942
where:
bonds (distance) C4'-P energy: -151.195
bonds (distance) P-C4' energy: -145.036
flat angles C4'-P-C4' energy: -170.507
flat angles P-C4'-P energy: -102.615
tors. eta vs tors. theta energy: -230.084
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: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2572.487180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.487180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.487180 (E_RNA)
where:
Base-Base interactions energy: -1781.744
where: short stacking energy: -816.561
Base-Backbone interact. energy: -1.467
local terms energy: -789.276359
where:
bonds (distance) C4'-P energy: -112.843
bonds (distance) P-C4' energy: -136.645
flat angles C4'-P-C4' energy: -175.362
flat angles P-C4'-P energy: -114.971
tors. eta vs tors. theta energy: -249.456
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: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2342.736621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.736621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.736621 (E_RNA)
where:
Base-Base interactions energy: -1628.153
where: short stacking energy: -687.194
Base-Backbone interact. energy: -0.911
local terms energy: -713.672906
where:
bonds (distance) C4'-P energy: -130.063
bonds (distance) P-C4' energy: -131.799
flat angles C4'-P-C4' energy: -152.287
flat angles P-C4'-P energy: -102.517
tors. eta vs tors. theta energy: -197.007
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: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2282.127905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.127905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.127905 (E_RNA)
where:
Base-Base interactions energy: -1559.281
where: short stacking energy: -692.882
Base-Backbone interact. energy: 1.023
local terms energy: -723.869397
where:
bonds (distance) C4'-P energy: -137.275
bonds (distance) P-C4' energy: -128.827
flat angles C4'-P-C4' energy: -148.439
flat angles P-C4'-P energy: -102.746
tors. eta vs tors. theta energy: -206.583
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: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1995.139403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.139403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.139403 (E_RNA)
where:
Base-Base interactions energy: -1326.485
where: short stacking energy: -580.299
Base-Backbone interact. energy: -2.173
local terms energy: -666.480758
where:
bonds (distance) C4'-P energy: -132.676
bonds (distance) P-C4' energy: -131.813
flat angles C4'-P-C4' energy: -149.628
flat angles P-C4'-P energy: -94.657
tors. eta vs tors. theta energy: -157.706
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: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1676.966967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.966967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.966967 (E_RNA)
where:
Base-Base interactions energy: -1106.988
where: short stacking energy: -473.067
Base-Backbone interact. energy: 8.199
local terms energy: -578.177956
where:
bonds (distance) C4'-P energy: -130.938
bonds (distance) P-C4' energy: -124.849
flat angles C4'-P-C4' energy: -128.144
flat angles P-C4'-P energy: -72.446
tors. eta vs tors. theta energy: -121.800
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: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1542.718335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.718335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.718335 (E_RNA)
where:
Base-Base interactions energy: -1007.177
where: short stacking energy: -436.979
Base-Backbone interact. energy: 0.787
local terms energy: -536.328210
where:
bonds (distance) C4'-P energy: -126.618
bonds (distance) P-C4' energy: -123.226
flat angles C4'-P-C4' energy: -132.422
flat angles P-C4'-P energy: -74.960
tors. eta vs tors. theta energy: -79.102
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: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -888.124260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.124260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.124260 (E_RNA)
where:
Base-Base interactions energy: -467.845
where: short stacking energy: -268.808
Base-Backbone interact. energy: -0.495
local terms energy: -419.784688
where:
bonds (distance) C4'-P energy: -115.661
bonds (distance) P-C4' energy: -127.409
flat angles C4'-P-C4' energy: -112.222
flat angles P-C4'-P energy: -48.174
tors. eta vs tors. theta energy: -16.318
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: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -862.867919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.867919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.867919 (E_RNA)
where:
Base-Base interactions energy: -419.571
where: short stacking energy: -216.468
Base-Backbone interact. energy: 5.308
local terms energy: -448.604966
where:
bonds (distance) C4'-P energy: -119.384
bonds (distance) P-C4' energy: -141.425
flat angles C4'-P-C4' energy: -117.066
flat angles P-C4'-P energy: -67.465
tors. eta vs tors. theta energy: -3.265
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: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2701.671767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.671767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.671767 (E_RNA)
where:
Base-Base interactions energy: -1897.709
where: short stacking energy: -787.054
Base-Backbone interact. energy: -2.665
local terms energy: -801.297865
where:
bonds (distance) C4'-P energy: -154.260
bonds (distance) P-C4' energy: -145.832
flat angles C4'-P-C4' energy: -166.045
flat angles P-C4'-P energy: -103.138
tors. eta vs tors. theta energy: -232.023
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: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2616.514777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.514777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.514777 (E_RNA)
where:
Base-Base interactions energy: -1844.404
where: short stacking energy: -787.970
Base-Backbone interact. energy: -3.689
local terms energy: -768.421542
where:
bonds (distance) C4'-P energy: -127.897
bonds (distance) P-C4' energy: -135.999
flat angles C4'-P-C4' energy: -162.609
flat angles P-C4'-P energy: -121.895
tors. eta vs tors. theta energy: -220.022
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: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2578.333673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.333673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.333673 (E_RNA)
where:
Base-Base interactions energy: -1781.772
where: short stacking energy: -782.263
Base-Backbone interact. energy: 0.674
local terms energy: -797.235680
where:
bonds (distance) C4'-P energy: -133.410
bonds (distance) P-C4' energy: -144.327
flat angles C4'-P-C4' energy: -164.564
flat angles P-C4'-P energy: -113.017
tors. eta vs tors. theta energy: -241.918
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: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2350.046588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.046588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.046588 (E_RNA)
where:
Base-Base interactions energy: -1625.855
where: short stacking energy: -692.268
Base-Backbone interact. energy: 1.883
local terms energy: -726.074860
where:
bonds (distance) C4'-P energy: -143.135
bonds (distance) P-C4' energy: -121.827
flat angles C4'-P-C4' energy: -147.823
flat angles P-C4'-P energy: -109.828
tors. eta vs tors. theta energy: -203.462
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: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2237.933789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.933789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.933789 (E_RNA)
where:
Base-Base interactions energy: -1532.520
where: short stacking energy: -660.363
Base-Backbone interact. energy: -2.859
local terms energy: -702.554248
where:
bonds (distance) C4'-P energy: -117.030
bonds (distance) P-C4' energy: -132.619
flat angles C4'-P-C4' energy: -148.577
flat angles P-C4'-P energy: -106.313
tors. eta vs tors. theta energy: -198.016
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: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2057.509973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.509973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.509973 (E_RNA)
where:
Base-Base interactions energy: -1384.579
where: short stacking energy: -609.829
Base-Backbone interact. energy: 1.631
local terms energy: -674.562065
where:
bonds (distance) C4'-P energy: -132.653
bonds (distance) P-C4' energy: -132.248
flat angles C4'-P-C4' energy: -148.182
flat angles P-C4'-P energy: -90.517
tors. eta vs tors. theta energy: -170.962
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: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1690.597552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.597552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.597552 (E_RNA)
where:
Base-Base interactions energy: -1111.463
where: short stacking energy: -471.095
Base-Backbone interact. energy: 2.115
local terms energy: -581.249367
where:
bonds (distance) C4'-P energy: -130.900
bonds (distance) P-C4' energy: -125.697
flat angles C4'-P-C4' energy: -125.488
flat angles P-C4'-P energy: -87.083
tors. eta vs tors. theta energy: -112.081
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: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1649.108084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.108084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.108084 (E_RNA)
where:
Base-Base interactions energy: -1096.970
where: short stacking energy: -501.064
Base-Backbone interact. energy: 0.610
local terms energy: -552.748342
where:
bonds (distance) C4'-P energy: -109.956
bonds (distance) P-C4' energy: -120.363
flat angles C4'-P-C4' energy: -136.525
flat angles P-C4'-P energy: -69.465
tors. eta vs tors. theta energy: -116.439
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: 9, replica: 2
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -854.131073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.131073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.131073 (E_RNA)
where:
Base-Base interactions energy: -436.816
where: short stacking energy: -233.740
Base-Backbone interact. energy: -1.024
local terms energy: -416.291044
where:
bonds (distance) C4'-P energy: -120.857
bonds (distance) P-C4' energy: -116.588
flat angles C4'-P-C4' energy: -126.520
flat angles P-C4'-P energy: -64.406
tors. eta vs tors. theta energy: 12.079
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: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -801.675029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.675029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.675029 (E_RNA)
where:
Base-Base interactions energy: -427.249
where: short stacking energy: -228.942
Base-Backbone interact. energy: 8.799
local terms energy: -383.225348
where:
bonds (distance) C4'-P energy: -105.118
bonds (distance) P-C4' energy: -117.822
flat angles C4'-P-C4' energy: -89.463
flat angles P-C4'-P energy: -62.376
tors. eta vs tors. theta energy: -8.446
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: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2678.067327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.067327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.067327 (E_RNA)
where:
Base-Base interactions energy: -1884.684
where: short stacking energy: -768.952
Base-Backbone interact. energy: -0.845
local terms energy: -792.538017
where:
bonds (distance) C4'-P energy: -150.247
bonds (distance) P-C4' energy: -126.165
flat angles C4'-P-C4' energy: -168.172
flat angles P-C4'-P energy: -130.142
tors. eta vs tors. theta energy: -217.812
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: 479
Temperature: 0.950000
Total energy: -2602.250057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.250057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.250057 (E_RNA)
where:
Base-Base interactions energy: -1846.082
where: short stacking energy: -764.624
Base-Backbone interact. energy: 0.234
local terms energy: -756.402510
where:
bonds (distance) C4'-P energy: -127.033
bonds (distance) P-C4' energy: -130.202
flat angles C4'-P-C4' energy: -180.792
flat angles P-C4'-P energy: -100.355
tors. eta vs tors. theta energy: -218.021
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: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2576.218159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.218159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.218159 (E_RNA)
where:
Base-Base interactions energy: -1774.638
where: short stacking energy: -796.390
Base-Backbone interact. energy: -3.118
local terms energy: -798.462202
where:
bonds (distance) C4'-P energy: -136.413
bonds (distance) P-C4' energy: -141.248
flat angles C4'-P-C4' energy: -167.207
flat angles P-C4'-P energy: -108.851
tors. eta vs tors. theta energy: -244.743
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: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2302.220156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.220156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.220156 (E_RNA)
where:
Base-Base interactions energy: -1591.624
where: short stacking energy: -667.486
Base-Backbone interact. energy: 1.422
local terms energy: -712.018917
where:
bonds (distance) C4'-P energy: -130.927
bonds (distance) P-C4' energy: -152.692
flat angles C4'-P-C4' energy: -149.295
flat angles P-C4'-P energy: -104.087
tors. eta vs tors. theta energy: -175.018
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: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2233.003651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.003651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.003651 (E_RNA)
where:
Base-Base interactions energy: -1516.870
where: short stacking energy: -646.753
Base-Backbone interact. energy: -0.256
local terms energy: -715.877457
where:
bonds (distance) C4'-P energy: -134.003
bonds (distance) P-C4' energy: -129.935
flat angles C4'-P-C4' energy: -160.839
flat angles P-C4'-P energy: -112.827
tors. eta vs tors. theta energy: -178.274
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: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2033.742681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.742681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.742681 (E_RNA)
where:
Base-Base interactions energy: -1407.957
where: short stacking energy: -588.263
Base-Backbone interact. energy: -0.700
local terms energy: -625.085736
where:
bonds (distance) C4'-P energy: -133.038
bonds (distance) P-C4' energy: -111.264
flat angles C4'-P-C4' energy: -134.920
flat angles P-C4'-P energy: -80.802
tors. eta vs tors. theta energy: -165.061
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: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1692.074486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.074486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.074486 (E_RNA)
where:
Base-Base interactions energy: -1114.548
where: short stacking energy: -474.923
Base-Backbone interact. energy: 1.665
local terms energy: -579.192286
where:
bonds (distance) C4'-P energy: -122.804
bonds (distance) P-C4' energy: -137.278
flat angles C4'-P-C4' energy: -131.498
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -99.975
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: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1567.759873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.759873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.759873 (E_RNA)
where:
Base-Base interactions energy: -1010.283
where: short stacking energy: -447.549
Base-Backbone interact. energy: -2.222
local terms energy: -555.254933
where:
bonds (distance) C4'-P energy: -121.954
bonds (distance) P-C4' energy: -114.388
flat angles C4'-P-C4' energy: -139.023
flat angles P-C4'-P energy: -84.875
tors. eta vs tors. theta energy: -95.015
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: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -844.279299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.279299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.279299 (E_RNA)
where:
Base-Base interactions energy: -447.629
where: short stacking energy: -250.325
Base-Backbone interact. energy: -0.240
local terms energy: -396.410283
where:
bonds (distance) C4'-P energy: -126.357
bonds (distance) P-C4' energy: -133.254
flat angles C4'-P-C4' energy: -85.600
flat angles P-C4'-P energy: -45.443
tors. eta vs tors. theta energy: -5.755
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: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -777.550860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.550860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.550860 (E_RNA)
where:
Base-Base interactions energy: -359.656
where: short stacking energy: -201.506
Base-Backbone interact. energy: -2.383
local terms energy: -415.511889
where:
bonds (distance) C4'-P energy: -123.105
bonds (distance) P-C4' energy: -110.204
flat angles C4'-P-C4' energy: -118.720
flat angles P-C4'-P energy: -70.134
tors. eta vs tors. theta energy: 6.650
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: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2684.754895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.754895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.754895 (E_RNA)
where:
Base-Base interactions energy: -1872.579
where: short stacking energy: -774.240
Base-Backbone interact. energy: -1.585
local terms energy: -810.590832
where:
bonds (distance) C4'-P energy: -143.310
bonds (distance) P-C4' energy: -149.959
flat angles C4'-P-C4' energy: -176.044
flat angles P-C4'-P energy: -114.042
tors. eta vs tors. theta energy: -227.235
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: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2597.532207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.532207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.532207 (E_RNA)
where:
Base-Base interactions energy: -1811.116
where: short stacking energy: -769.808
Base-Backbone interact. energy: -0.979
local terms energy: -785.436746
where:
bonds (distance) C4'-P energy: -135.336
bonds (distance) P-C4' energy: -149.702
flat angles C4'-P-C4' energy: -162.937
flat angles P-C4'-P energy: -115.758
tors. eta vs tors. theta energy: -221.703
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: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2572.971737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.971737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.971737 (E_RNA)
where:
Base-Base interactions energy: -1771.587
where: short stacking energy: -815.431
Base-Backbone interact. energy: -2.337
local terms energy: -799.047647
where:
bonds (distance) C4'-P energy: -137.004
bonds (distance) P-C4' energy: -140.314
flat angles C4'-P-C4' energy: -155.598
flat angles P-C4'-P energy: -120.846
tors. eta vs tors. theta energy: -245.286
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: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2308.439394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.439394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.439394 (E_RNA)
where:
Base-Base interactions energy: -1615.387
where: short stacking energy: -700.448
Base-Backbone interact. energy: -5.822
local terms energy: -687.230628
where:
bonds (distance) C4'-P energy: -114.887
bonds (distance) P-C4' energy: -138.890
flat angles C4'-P-C4' energy: -151.574
flat angles P-C4'-P energy: -96.121
tors. eta vs tors. theta energy: -185.758
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: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2241.394988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.394988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.394988 (E_RNA)
where:
Base-Base interactions energy: -1537.462
where: short stacking energy: -677.596
Base-Backbone interact. energy: 2.248
local terms energy: -706.180897
where:
bonds (distance) C4'-P energy: -127.176
bonds (distance) P-C4' energy: -140.791
flat angles C4'-P-C4' energy: -153.079
flat angles P-C4'-P energy: -102.705
tors. eta vs tors. theta energy: -182.430
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: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2070.268177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.268177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.268177 (E_RNA)
where:
Base-Base interactions energy: -1407.863
where: short stacking energy: -602.381
Base-Backbone interact. energy: -3.090
local terms energy: -659.314678
where:
bonds (distance) C4'-P energy: -110.177
bonds (distance) P-C4' energy: -133.648
flat angles C4'-P-C4' energy: -151.965
flat angles P-C4'-P energy: -92.390
tors. eta vs tors. theta energy: -171.135
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: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1723.210130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.210130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.210130 (E_RNA)
where:
Base-Base interactions energy: -1148.664
where: short stacking energy: -523.376
Base-Backbone interact. energy: 5.833
local terms energy: -580.379851
where:
bonds (distance) C4'-P energy: -110.225
bonds (distance) P-C4' energy: -130.168
flat angles C4'-P-C4' energy: -130.034
flat angles P-C4'-P energy: -76.544
tors. eta vs tors. theta energy: -133.408
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: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1599.837601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.837601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.837601 (E_RNA)
where:
Base-Base interactions energy: -1048.467
where: short stacking energy: -450.571
Base-Backbone interact. energy: -1.044
local terms energy: -550.326473
where:
bonds (distance) C4'-P energy: -118.054
bonds (distance) P-C4' energy: -133.258
flat angles C4'-P-C4' energy: -111.021
flat angles P-C4'-P energy: -78.457
tors. eta vs tors. theta energy: -109.536
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: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -826.504855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.504855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.504855 (E_RNA)
where:
Base-Base interactions energy: -429.541
where: short stacking energy: -247.760
Base-Backbone interact. energy: -1.402
local terms energy: -395.562146
where:
bonds (distance) C4'-P energy: -123.039
bonds (distance) P-C4' energy: -117.438
flat angles C4'-P-C4' energy: -89.876
flat angles P-C4'-P energy: -60.095
tors. eta vs tors. theta energy: -5.113
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: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -840.001450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.001450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.001450 (E_RNA)
where:
Base-Base interactions energy: -408.940
where: short stacking energy: -248.764
Base-Backbone interact. energy: -1.456
local terms energy: -429.606247
where:
bonds (distance) C4'-P energy: -93.570
bonds (distance) P-C4' energy: -135.101
flat angles C4'-P-C4' energy: -107.971
flat angles P-C4'-P energy: -65.452
tors. eta vs tors. theta energy: -27.512
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: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2681.222165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.222165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.222165 (E_RNA)
where:
Base-Base interactions energy: -1894.881
where: short stacking energy: -782.330
Base-Backbone interact. energy: -1.451
local terms energy: -784.890222
where:
bonds (distance) C4'-P energy: -135.102
bonds (distance) P-C4' energy: -145.729
flat angles C4'-P-C4' energy: -163.478
flat angles P-C4'-P energy: -111.190
tors. eta vs tors. theta energy: -229.391
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: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2616.932812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.932812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.932812 (E_RNA)
where:
Base-Base interactions energy: -1835.137
where: short stacking energy: -748.001
Base-Backbone interact. energy: 0.386
local terms energy: -782.181362
where:
bonds (distance) C4'-P energy: -139.857
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -160.602
flat angles P-C4'-P energy: -106.834
tors. eta vs tors. theta energy: -232.434
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: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2602.495120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.495120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.495120 (E_RNA)
where:
Base-Base interactions energy: -1784.772
where: short stacking energy: -787.171
Base-Backbone interact. energy: 0.335
local terms energy: -818.058102
where:
bonds (distance) C4'-P energy: -136.966
bonds (distance) P-C4' energy: -152.962
flat angles C4'-P-C4' energy: -163.763
flat angles P-C4'-P energy: -109.200
tors. eta vs tors. theta energy: -255.167
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: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2315.416307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.416307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.416307 (E_RNA)
where:
Base-Base interactions energy: -1609.678
where: short stacking energy: -648.074
Base-Backbone interact. energy: -1.269
local terms energy: -704.469537
where:
bonds (distance) C4'-P energy: -119.196
bonds (distance) P-C4' energy: -141.139
flat angles C4'-P-C4' energy: -153.632
flat angles P-C4'-P energy: -96.173
tors. eta vs tors. theta energy: -194.330
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: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2256.802362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.802362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.802362 (E_RNA)
where:
Base-Base interactions energy: -1578.929
where: short stacking energy: -652.119
Base-Backbone interact. energy: -2.254
local terms energy: -675.619356
where:
bonds (distance) C4'-P energy: -126.353
bonds (distance) P-C4' energy: -111.449
flat angles C4'-P-C4' energy: -146.261
flat angles P-C4'-P energy: -106.009
tors. eta vs tors. theta energy: -185.546
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: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2161.275820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.275820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.275820 (E_RNA)
where:
Base-Base interactions energy: -1478.867
where: short stacking energy: -642.336
Base-Backbone interact. energy: -0.103
local terms energy: -682.305623
where:
bonds (distance) C4'-P energy: -128.318
bonds (distance) P-C4' energy: -135.640
flat angles C4'-P-C4' energy: -150.612
flat angles P-C4'-P energy: -80.218
tors. eta vs tors. theta energy: -187.517
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: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1607.677763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.677763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.677763 (E_RNA)
where:
Base-Base interactions energy: -1029.329
where: short stacking energy: -460.592
Base-Backbone interact. energy: 1.753
local terms energy: -580.102382
where:
bonds (distance) C4'-P energy: -103.541
bonds (distance) P-C4' energy: -118.012
flat angles C4'-P-C4' energy: -147.496
flat angles P-C4'-P energy: -89.951
tors. eta vs tors. theta energy: -121.103
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: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1632.608253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.608253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.608253 (E_RNA)
where:
Base-Base interactions energy: -1077.657
where: short stacking energy: -473.701
Base-Backbone interact. energy: 3.756
local terms energy: -558.707897
where:
bonds (distance) C4'-P energy: -94.025
bonds (distance) P-C4' energy: -126.313
flat angles C4'-P-C4' energy: -132.970
flat angles P-C4'-P energy: -82.449
tors. eta vs tors. theta energy: -122.952
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: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -824.230772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.230772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.230772 (E_RNA)
where:
Base-Base interactions energy: -376.528
where: short stacking energy: -242.431
Base-Backbone interact. energy: 1.561
local terms energy: -449.263713
where:
bonds (distance) C4'-P energy: -115.207
bonds (distance) P-C4' energy: -127.920
flat angles C4'-P-C4' energy: -125.757
flat angles P-C4'-P energy: -72.363
tors. eta vs tors. theta energy: -8.016
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: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -858.651980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.651980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.651980 (E_RNA)
where:
Base-Base interactions energy: -441.574
where: short stacking energy: -243.710
Base-Backbone interact. energy: 2.607
local terms energy: -419.684455
where:
bonds (distance) C4'-P energy: -121.035
bonds (distance) P-C4' energy: -122.446
flat angles C4'-P-C4' energy: -101.014
flat angles P-C4'-P energy: -70.316
tors. eta vs tors. theta energy: -4.873
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: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2686.832419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.832419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.832419 (E_RNA)
where:
Base-Base interactions energy: -1889.865
where: short stacking energy: -785.372
Base-Backbone interact. energy: -3.534
local terms energy: -793.433752
where:
bonds (distance) C4'-P energy: -143.267
bonds (distance) P-C4' energy: -144.453
flat angles C4'-P-C4' energy: -160.652
flat angles P-C4'-P energy: -122.246
tors. eta vs tors. theta energy: -222.816
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: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2637.501804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.501804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.501804 (E_RNA)
where:
Base-Base interactions energy: -1847.641
where: short stacking energy: -763.326
Base-Backbone interact. energy: -2.339
local terms energy: -787.521547
where:
bonds (distance) C4'-P energy: -142.683
bonds (distance) P-C4' energy: -145.320
flat angles C4'-P-C4' energy: -158.199
flat angles P-C4'-P energy: -120.372
tors. eta vs tors. theta energy: -220.948
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: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2589.949324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.949324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.949324 (E_RNA)
where:
Base-Base interactions energy: -1776.851
where: short stacking energy: -776.535
Base-Backbone interact. energy: 0.446
local terms energy: -813.544499
where:
bonds (distance) C4'-P energy: -134.048
bonds (distance) P-C4' energy: -150.840
flat angles C4'-P-C4' energy: -163.935
flat angles P-C4'-P energy: -117.276
tors. eta vs tors. theta energy: -247.445
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: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2296.784829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.784829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.784829 (E_RNA)
where:
Base-Base interactions energy: -1566.239
where: short stacking energy: -657.212
Base-Backbone interact. energy: -3.712
local terms energy: -726.834452
where:
bonds (distance) C4'-P energy: -136.477
bonds (distance) P-C4' energy: -143.627
flat angles C4'-P-C4' energy: -154.641
flat angles P-C4'-P energy: -103.226
tors. eta vs tors. theta energy: -188.863
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: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2242.415814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.415814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.415814 (E_RNA)
where:
Base-Base interactions energy: -1546.094
where: short stacking energy: -667.920
Base-Backbone interact. energy: -3.672
local terms energy: -692.649789
where:
bonds (distance) C4'-P energy: -128.000
bonds (distance) P-C4' energy: -128.568
flat angles C4'-P-C4' energy: -139.159
flat angles P-C4'-P energy: -97.814
tors. eta vs tors. theta energy: -199.109
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: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2109.944861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.944861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.944861 (E_RNA)
where:
Base-Base interactions energy: -1449.676
where: short stacking energy: -622.060
Base-Backbone interact. energy: -1.370
local terms energy: -658.899200
where:
bonds (distance) C4'-P energy: -117.142
bonds (distance) P-C4' energy: -125.126
flat angles C4'-P-C4' energy: -147.491
flat angles P-C4'-P energy: -94.905
tors. eta vs tors. theta energy: -174.235
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: 482
Temperature: 1.200000
Total energy: -1655.895869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.895869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.895869 (E_RNA)
where:
Base-Base interactions energy: -1091.594
where: short stacking energy: -495.600
Base-Backbone interact. energy: -2.059
local terms energy: -562.241970
where:
bonds (distance) C4'-P energy: -114.397
bonds (distance) P-C4' energy: -117.027
flat angles C4'-P-C4' energy: -125.258
flat angles P-C4'-P energy: -94.095
tors. eta vs tors. theta energy: -111.464
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: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1650.607501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.607501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.607501 (E_RNA)
where:
Base-Base interactions energy: -1092.694
where: short stacking energy: -475.427
Base-Backbone interact. energy: -0.962
local terms energy: -556.951933
where:
bonds (distance) C4'-P energy: -116.632
bonds (distance) P-C4' energy: -119.222
flat angles C4'-P-C4' energy: -130.726
flat angles P-C4'-P energy: -82.310
tors. eta vs tors. theta energy: -108.062
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: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -934.394186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.394186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.394186 (E_RNA)
where:
Base-Base interactions energy: -566.962
where: short stacking energy: -315.890
Base-Backbone interact. energy: -2.661
local terms energy: -364.771619
where:
bonds (distance) C4'-P energy: -113.094
bonds (distance) P-C4' energy: -100.413
flat angles C4'-P-C4' energy: -86.757
flat angles P-C4'-P energy: -50.997
tors. eta vs tors. theta energy: -13.510
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: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -777.221763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.221763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.221763 (E_RNA)
where:
Base-Base interactions energy: -373.425
where: short stacking energy: -217.024
Base-Backbone interact. energy: -3.226
local terms energy: -400.570444
where:
bonds (distance) C4'-P energy: -122.691
bonds (distance) P-C4' energy: -125.390
flat angles C4'-P-C4' energy: -98.079
flat angles P-C4'-P energy: -55.384
tors. eta vs tors. theta energy: 0.974
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: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2655.898650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.898650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.898650 (E_RNA)
where:
Base-Base interactions energy: -1829.954
where: short stacking energy: -789.670
Base-Backbone interact. energy: -1.595
local terms energy: -824.350395
where:
bonds (distance) C4'-P energy: -154.079
bonds (distance) P-C4' energy: -150.457
flat angles C4'-P-C4' energy: -168.584
flat angles P-C4'-P energy: -129.606
tors. eta vs tors. theta energy: -221.625
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: 2, replica: 6
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2639.142206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.142206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.142206 (E_RNA)
where:
Base-Base interactions energy: -1818.876
where: short stacking energy: -801.855
Base-Backbone interact. energy: -2.159
local terms energy: -818.107386
where:
bonds (distance) C4'-P energy: -138.197
bonds (distance) P-C4' energy: -134.544
flat angles C4'-P-C4' energy: -170.812
flat angles P-C4'-P energy: -123.077
tors. eta vs tors. theta energy: -251.477
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: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2562.044979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.044979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.044979 (E_RNA)
where:
Base-Base interactions energy: -1802.973
where: short stacking energy: -732.854
Base-Backbone interact. energy: -1.439
local terms energy: -757.632728
where:
bonds (distance) C4'-P energy: -133.621
bonds (distance) P-C4' energy: -138.909
flat angles C4'-P-C4' energy: -173.391
flat angles P-C4'-P energy: -100.230
tors. eta vs tors. theta energy: -211.482
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: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2356.161047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.161047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.161047 (E_RNA)
where:
Base-Base interactions energy: -1613.350
where: short stacking energy: -698.477
Base-Backbone interact. energy: -2.610
local terms energy: -740.200993
where:
bonds (distance) C4'-P energy: -136.642
bonds (distance) P-C4' energy: -135.013
flat angles C4'-P-C4' energy: -160.381
flat angles P-C4'-P energy: -101.808
tors. eta vs tors. theta energy: -206.358
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: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2276.023735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.023735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.023735 (E_RNA)
where:
Base-Base interactions energy: -1579.181
where: short stacking energy: -666.176
Base-Backbone interact. energy: -2.663
local terms energy: -694.180032
where:
bonds (distance) C4'-P energy: -118.820
bonds (distance) P-C4' energy: -143.950
flat angles C4'-P-C4' energy: -152.075
flat angles P-C4'-P energy: -90.275
tors. eta vs tors. theta energy: -189.060
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: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2173.896749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.896749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.896749 (E_RNA)
where:
Base-Base interactions energy: -1469.134
where: short stacking energy: -629.701
Base-Backbone interact. energy: 0.577
local terms energy: -705.340473
where:
bonds (distance) C4'-P energy: -114.198
bonds (distance) P-C4' energy: -159.122
flat angles C4'-P-C4' energy: -154.931
flat angles P-C4'-P energy: -96.309
tors. eta vs tors. theta energy: -180.781
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: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1662.577327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.577327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.577327 (E_RNA)
where:
Base-Base interactions energy: -1084.101
where: short stacking energy: -466.525
Base-Backbone interact. energy: -0.142
local terms energy: -578.334977
where:
bonds (distance) C4'-P energy: -119.007
bonds (distance) P-C4' energy: -138.138
flat angles C4'-P-C4' energy: -121.315
flat angles P-C4'-P energy: -87.740
tors. eta vs tors. theta energy: -112.136
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: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1618.869989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.869989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.869989 (E_RNA)
where:
Base-Base interactions energy: -1064.008
where: short stacking energy: -470.576
Base-Backbone interact. energy: -0.684
local terms energy: -554.177737
where:
bonds (distance) C4'-P energy: -111.744
bonds (distance) P-C4' energy: -120.132
flat angles C4'-P-C4' energy: -121.359
flat angles P-C4'-P energy: -94.586
tors. eta vs tors. theta energy: -106.356
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: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -931.876555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.876555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.876555 (E_RNA)
where:
Base-Base interactions energy: -509.278
where: short stacking energy: -285.678
Base-Backbone interact. energy: 2.952
local terms energy: -425.550079
where:
bonds (distance) C4'-P energy: -103.413
bonds (distance) P-C4' energy: -129.533
flat angles C4'-P-C4' energy: -121.822
flat angles P-C4'-P energy: -43.769
tors. eta vs tors. theta energy: -27.012
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: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -760.148749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.148749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.148749 (E_RNA)
where:
Base-Base interactions energy: -383.724
where: short stacking energy: -211.733
Base-Backbone interact. energy: 3.348
local terms energy: -379.773226
where:
bonds (distance) C4'-P energy: -105.391
bonds (distance) P-C4' energy: -125.563
flat angles C4'-P-C4' energy: -113.527
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: 7.217
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: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2653.796077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.796077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.796077 (E_RNA)
where:
Base-Base interactions energy: -1855.213
where: short stacking energy: -802.686
Base-Backbone interact. energy: 5.502
local terms energy: -804.085310
where:
bonds (distance) C4'-P energy: -137.520
bonds (distance) P-C4' energy: -151.979
flat angles C4'-P-C4' energy: -169.681
flat angles P-C4'-P energy: -116.559
tors. eta vs tors. theta energy: -228.346
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: 6
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2625.341935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.341935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.341935 (E_RNA)
where:
Base-Base interactions energy: -1820.376
where: short stacking energy: -794.680
Base-Backbone interact. energy: -2.777
local terms energy: -802.188628
where:
bonds (distance) C4'-P energy: -135.865
bonds (distance) P-C4' energy: -152.076
flat angles C4'-P-C4' energy: -168.121
flat angles P-C4'-P energy: -104.285
tors. eta vs tors. theta energy: -241.841
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: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2520.130472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.130472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.130472 (E_RNA)
where:
Base-Base interactions energy: -1770.286
where: short stacking energy: -753.378
Base-Backbone interact. energy: -5.521
local terms energy: -744.323509
where:
bonds (distance) C4'-P energy: -132.931
bonds (distance) P-C4' energy: -142.277
flat angles C4'-P-C4' energy: -148.490
flat angles P-C4'-P energy: -101.579
tors. eta vs tors. theta energy: -219.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2350.980704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.980704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.980704 (E_RNA)
where:
Base-Base interactions energy: -1600.711
where: short stacking energy: -681.779
Base-Backbone interact. energy: -4.192
local terms energy: -746.078036
where:
bonds (distance) C4'-P energy: -131.978
bonds (distance) P-C4' energy: -133.755
flat angles C4'-P-C4' energy: -163.810
flat angles P-C4'-P energy: -98.689
tors. eta vs tors. theta energy: -217.847
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: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2237.185497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.185497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.185497 (E_RNA)
where:
Base-Base interactions energy: -1539.850
where: short stacking energy: -651.802
Base-Backbone interact. energy: -0.897
local terms energy: -696.438113
where:
bonds (distance) C4'-P energy: -137.270
bonds (distance) P-C4' energy: -143.053
flat angles C4'-P-C4' energy: -148.931
flat angles P-C4'-P energy: -84.687
tors. eta vs tors. theta energy: -182.497
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: 6, replica: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2177.583838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.583838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.583838 (E_RNA)
where:
Base-Base interactions energy: -1502.122
where: short stacking energy: -628.550
Base-Backbone interact. energy: -0.301
local terms energy: -675.161532
where:
bonds (distance) C4'-P energy: -120.258
bonds (distance) P-C4' energy: -130.357
flat angles C4'-P-C4' energy: -140.254
flat angles P-C4'-P energy: -93.369
tors. eta vs tors. theta energy: -190.923
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: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1713.729004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.729004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.729004 (E_RNA)
where:
Base-Base interactions energy: -1112.225
where: short stacking energy: -468.883
Base-Backbone interact. energy: -4.101
local terms energy: -597.403274
where:
bonds (distance) C4'-P energy: -125.519
bonds (distance) P-C4' energy: -153.738
flat angles C4'-P-C4' energy: -138.648
flat angles P-C4'-P energy: -67.307
tors. eta vs tors. theta energy: -112.191
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: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1620.496350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.496350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.496350 (E_RNA)
where:
Base-Base interactions energy: -1038.990
where: short stacking energy: -462.988
Base-Backbone interact. energy: -1.335
local terms energy: -580.171441
where:
bonds (distance) C4'-P energy: -132.426
bonds (distance) P-C4' energy: -133.879
flat angles C4'-P-C4' energy: -115.691
flat angles P-C4'-P energy: -79.810
tors. eta vs tors. theta energy: -118.366
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: 484
Temperature: 1.300000
Total energy: -945.559387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.559387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.559387 (E_RNA)
where:
Base-Base interactions energy: -508.361
where: short stacking energy: -257.368
Base-Backbone interact. energy: -1.164
local terms energy: -436.033598
where:
bonds (distance) C4'-P energy: -128.218
bonds (distance) P-C4' energy: -124.257
flat angles C4'-P-C4' energy: -101.375
flat angles P-C4'-P energy: -62.087
tors. eta vs tors. theta energy: -20.097
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: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -787.906021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.906021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.906021 (E_RNA)
where:
Base-Base interactions energy: -386.525
where: short stacking energy: -226.228
Base-Backbone interact. energy: 0.906
local terms energy: -402.286205
where:
bonds (distance) C4'-P energy: -128.560
bonds (distance) P-C4' energy: -127.929
flat angles C4'-P-C4' energy: -82.303
flat angles P-C4'-P energy: -46.330
tors. eta vs tors. theta energy: -17.164
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: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2664.623685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.623685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.623685 (E_RNA)
where:
Base-Base interactions energy: -1865.702
where: short stacking energy: -779.992
Base-Backbone interact. energy: -3.111
local terms energy: -795.810751
where:
bonds (distance) C4'-P energy: -139.870
bonds (distance) P-C4' energy: -145.474
flat angles C4'-P-C4' energy: -170.510
flat angles P-C4'-P energy: -106.097
tors. eta vs tors. theta energy: -233.860
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: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2622.812061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.812061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.812061 (E_RNA)
where:
Base-Base interactions energy: -1810.557
where: short stacking energy: -802.882
Base-Backbone interact. energy: -1.975
local terms energy: -810.279700
where:
bonds (distance) C4'-P energy: -136.513
bonds (distance) P-C4' energy: -138.070
flat angles C4'-P-C4' energy: -167.089
flat angles P-C4'-P energy: -118.525
tors. eta vs tors. theta energy: -250.083
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: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2537.022466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.022466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.022466 (E_RNA)
where:
Base-Base interactions energy: -1756.673
where: short stacking energy: -713.307
Base-Backbone interact. energy: -1.936
local terms energy: -778.414026
where:
bonds (distance) C4'-P energy: -147.851
bonds (distance) P-C4' energy: -155.630
flat angles C4'-P-C4' energy: -154.266
flat angles P-C4'-P energy: -105.254
tors. eta vs tors. theta energy: -215.413
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: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2334.206544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.206544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.206544 (E_RNA)
where:
Base-Base interactions energy: -1582.564
where: short stacking energy: -700.802
Base-Backbone interact. energy: -5.415
local terms energy: -746.228002
where:
bonds (distance) C4'-P energy: -153.118
bonds (distance) P-C4' energy: -128.014
flat angles C4'-P-C4' energy: -170.031
flat angles P-C4'-P energy: -83.837
tors. eta vs tors. theta energy: -211.227
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: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2271.212084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.212084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.212084 (E_RNA)
where:
Base-Base interactions energy: -1591.272
where: short stacking energy: -642.146
Base-Backbone interact. energy: 0.089
local terms energy: -680.028885
where:
bonds (distance) C4'-P energy: -136.728
bonds (distance) P-C4' energy: -134.343
flat angles C4'-P-C4' energy: -153.975
flat angles P-C4'-P energy: -92.949
tors. eta vs tors. theta energy: -162.035
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: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2063.277106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.277106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.277106 (E_RNA)
where:
Base-Base interactions energy: -1437.938
where: short stacking energy: -607.680
Base-Backbone interact. energy: -0.533
local terms energy: -624.805365
where:
bonds (distance) C4'-P energy: -105.327
bonds (distance) P-C4' energy: -96.812
flat angles C4'-P-C4' energy: -147.809
flat angles P-C4'-P energy: -99.925
tors. eta vs tors. theta energy: -174.931
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: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1644.406261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.406261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.406261 (E_RNA)
where:
Base-Base interactions energy: -1078.170
where: short stacking energy: -445.429
Base-Backbone interact. energy: -4.162
local terms energy: -562.074059
where:
bonds (distance) C4'-P energy: -130.093
bonds (distance) P-C4' energy: -128.935
flat angles C4'-P-C4' energy: -137.040
flat angles P-C4'-P energy: -60.308
tors. eta vs tors. theta energy: -105.698
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: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1646.554826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.554826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.554826 (E_RNA)
where:
Base-Base interactions energy: -1061.322
where: short stacking energy: -479.676
Base-Backbone interact. energy: -1.169
local terms energy: -584.063761
where:
bonds (distance) C4'-P energy: -103.937
bonds (distance) P-C4' energy: -138.675
flat angles C4'-P-C4' energy: -130.406
flat angles P-C4'-P energy: -86.776
tors. eta vs tors. theta energy: -124.270
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: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -936.479094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.479094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.479094 (E_RNA)
where:
Base-Base interactions energy: -496.555
where: short stacking energy: -260.485
Base-Backbone interact. energy: -2.642
local terms energy: -437.282194
where:
bonds (distance) C4'-P energy: -122.894
bonds (distance) P-C4' energy: -127.221
flat angles C4'-P-C4' energy: -116.343
flat angles P-C4'-P energy: -65.615
tors. eta vs tors. theta energy: -5.210
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: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -842.757241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.757241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.757241 (E_RNA)
where:
Base-Base interactions energy: -454.193
where: short stacking energy: -255.174
Base-Backbone interact. energy: 5.817
local terms energy: -394.380378
where:
bonds (distance) C4'-P energy: -108.933
bonds (distance) P-C4' energy: -126.444
flat angles C4'-P-C4' energy: -116.793
flat angles P-C4'-P energy: -45.675
tors. eta vs tors. theta energy: 3.465
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: 486
Temperature: 0.900000
Total energy: -2660.539325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.539325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.539325 (E_RNA)
where:
Base-Base interactions energy: -1838.802
where: short stacking energy: -782.782
Base-Backbone interact. energy: -2.444
local terms energy: -819.293174
where:
bonds (distance) C4'-P energy: -144.453
bonds (distance) P-C4' energy: -150.241
flat angles C4'-P-C4' energy: -178.061
flat angles P-C4'-P energy: -116.738
tors. eta vs tors. theta energy: -229.799
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: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2626.230855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.230855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.230855 (E_RNA)
where:
Base-Base interactions energy: -1814.124
where: short stacking energy: -800.959
Base-Backbone interact. energy: -3.477
local terms energy: -808.629730
where:
bonds (distance) C4'-P energy: -129.909
bonds (distance) P-C4' energy: -132.870
flat angles C4'-P-C4' energy: -175.018
flat angles P-C4'-P energy: -119.409
tors. eta vs tors. theta energy: -251.423
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: 486
Temperature: 1.000000
Total energy: -2517.733749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.733749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.733749 (E_RNA)
where:
Base-Base interactions energy: -1729.138
where: short stacking energy: -706.535
Base-Backbone interact. energy: -3.728
local terms energy: -784.867548
where:
bonds (distance) C4'-P energy: -155.351
bonds (distance) P-C4' energy: -145.678
flat angles C4'-P-C4' energy: -167.820
flat angles P-C4'-P energy: -98.423
tors. eta vs tors. theta energy: -217.596
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: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2377.332748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.332748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.332748 (E_RNA)
where:
Base-Base interactions energy: -1617.865
where: short stacking energy: -711.007
Base-Backbone interact. energy: 0.842
local terms energy: -760.310155
where:
bonds (distance) C4'-P energy: -141.400
bonds (distance) P-C4' energy: -148.053
flat angles C4'-P-C4' energy: -152.371
flat angles P-C4'-P energy: -100.748
tors. eta vs tors. theta energy: -217.738
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: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2283.540433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.540433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.540433 (E_RNA)
where:
Base-Base interactions energy: -1577.762
where: short stacking energy: -683.838
Base-Backbone interact. energy: -3.781
local terms energy: -701.997840
where:
bonds (distance) C4'-P energy: -113.318
bonds (distance) P-C4' energy: -148.133
flat angles C4'-P-C4' energy: -158.888
flat angles P-C4'-P energy: -92.157
tors. eta vs tors. theta energy: -189.502
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: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2105.574279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.574279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.574279 (E_RNA)
where:
Base-Base interactions energy: -1455.645
where: short stacking energy: -611.070
Base-Backbone interact. energy: -5.516
local terms energy: -644.413437
where:
bonds (distance) C4'-P energy: -106.562
bonds (distance) P-C4' energy: -135.919
flat angles C4'-P-C4' energy: -148.134
flat angles P-C4'-P energy: -82.167
tors. eta vs tors. theta energy: -171.632
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: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1745.206495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.206495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.206495 (E_RNA)
where:
Base-Base interactions energy: -1137.536
where: short stacking energy: -502.736
Base-Backbone interact. energy: 2.380
local terms energy: -610.050595
where:
bonds (distance) C4'-P energy: -127.725
bonds (distance) P-C4' energy: -131.943
flat angles C4'-P-C4' energy: -138.531
flat angles P-C4'-P energy: -76.937
tors. eta vs tors. theta energy: -134.914
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: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1519.108611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.108611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.108611 (E_RNA)
where:
Base-Base interactions energy: -962.361
where: short stacking energy: -431.002
Base-Backbone interact. energy: 2.743
local terms energy: -559.490402
where:
bonds (distance) C4'-P energy: -127.363
bonds (distance) P-C4' energy: -130.586
flat angles C4'-P-C4' energy: -126.159
flat angles P-C4'-P energy: -79.699
tors. eta vs tors. theta energy: -95.683
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: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -945.925632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.925632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.925632 (E_RNA)
where:
Base-Base interactions energy: -524.339
where: short stacking energy: -262.349
Base-Backbone interact. energy: -0.573
local terms energy: -421.014306
where:
bonds (distance) C4'-P energy: -108.048
bonds (distance) P-C4' energy: -134.025
flat angles C4'-P-C4' energy: -114.060
flat angles P-C4'-P energy: -60.634
tors. eta vs tors. theta energy: -4.248
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: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -886.948222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.948222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.948222 (E_RNA)
where:
Base-Base interactions energy: -457.194
where: short stacking energy: -248.452
Base-Backbone interact. energy: -1.800
local terms energy: -427.954472
where:
bonds (distance) C4'-P energy: -115.478
bonds (distance) P-C4' energy: -121.787
flat angles C4'-P-C4' energy: -95.323
flat angles P-C4'-P energy: -75.521
tors. eta vs tors. theta energy: -19.845
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: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2681.830677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.830677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.830677 (E_RNA)
where:
Base-Base interactions energy: -1885.528
where: short stacking energy: -807.000
Base-Backbone interact. energy: -3.107
local terms energy: -793.196485
where:
bonds (distance) C4'-P energy: -135.068
bonds (distance) P-C4' energy: -147.994
flat angles C4'-P-C4' energy: -178.395
flat angles P-C4'-P energy: -103.339
tors. eta vs tors. theta energy: -228.400
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: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2611.040674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.040674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.040674 (E_RNA)
where:
Base-Base interactions energy: -1813.447
where: short stacking energy: -809.096
Base-Backbone interact. energy: 1.018
local terms energy: -798.611310
where:
bonds (distance) C4'-P energy: -145.696
bonds (distance) P-C4' energy: -137.946
flat angles C4'-P-C4' energy: -157.597
flat angles P-C4'-P energy: -116.929
tors. eta vs tors. theta energy: -240.443
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: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2522.857813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.857813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.857813 (E_RNA)
where:
Base-Base interactions energy: -1729.223
where: short stacking energy: -738.233
Base-Backbone interact. energy: -3.066
local terms energy: -790.568820
where:
bonds (distance) C4'-P energy: -142.803
bonds (distance) P-C4' energy: -163.384
flat angles C4'-P-C4' energy: -165.285
flat angles P-C4'-P energy: -104.719
tors. eta vs tors. theta energy: -214.378
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: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2370.180357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.180357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.180357 (E_RNA)
where:
Base-Base interactions energy: -1641.985
where: short stacking energy: -705.271
Base-Backbone interact. energy: 0.856
local terms energy: -729.051681
where:
bonds (distance) C4'-P energy: -125.783
bonds (distance) P-C4' energy: -118.369
flat angles C4'-P-C4' energy: -166.896
flat angles P-C4'-P energy: -115.793
tors. eta vs tors. theta energy: -202.210
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: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2218.454287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.454287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.454287 (E_RNA)
where:
Base-Base interactions energy: -1543.795
where: short stacking energy: -666.616
Base-Backbone interact. energy: -1.130
local terms energy: -673.529926
where:
bonds (distance) C4'-P energy: -117.185
bonds (distance) P-C4' energy: -135.643
flat angles C4'-P-C4' energy: -150.417
flat angles P-C4'-P energy: -87.755
tors. eta vs tors. theta energy: -182.530
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: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2126.492510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.492510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.492510 (E_RNA)
where:
Base-Base interactions energy: -1450.355
where: short stacking energy: -622.203
Base-Backbone interact. energy: -1.569
local terms energy: -674.568311
where:
bonds (distance) C4'-P energy: -122.369
bonds (distance) P-C4' energy: -127.449
flat angles C4'-P-C4' energy: -155.024
flat angles P-C4'-P energy: -90.299
tors. eta vs tors. theta energy: -179.428
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: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1711.635599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.635599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.635599 (E_RNA)
where:
Base-Base interactions energy: -1137.797
where: short stacking energy: -502.931
Base-Backbone interact. energy: -3.613
local terms energy: -570.225296
where:
bonds (distance) C4'-P energy: -119.900
bonds (distance) P-C4' energy: -128.804
flat angles C4'-P-C4' energy: -118.900
flat angles P-C4'-P energy: -75.310
tors. eta vs tors. theta energy: -127.312
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: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1438.567963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.567963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.567963 (E_RNA)
where:
Base-Base interactions energy: -922.407
where: short stacking energy: -410.248
Base-Backbone interact. energy: -4.256
local terms energy: -511.905094
where:
bonds (distance) C4'-P energy: -126.359
bonds (distance) P-C4' energy: -118.387
flat angles C4'-P-C4' energy: -115.375
flat angles P-C4'-P energy: -67.219
tors. eta vs tors. theta energy: -84.565
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: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -889.123828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.123828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.123828 (E_RNA)
where:
Base-Base interactions energy: -454.672
where: short stacking energy: -231.670
Base-Backbone interact. energy: -1.829
local terms energy: -432.623119
where:
bonds (distance) C4'-P energy: -113.432
bonds (distance) P-C4' energy: -123.590
flat angles C4'-P-C4' energy: -116.501
flat angles P-C4'-P energy: -75.818
tors. eta vs tors. theta energy: -3.282
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: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -877.300343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.300343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.300343 (E_RNA)
where:
Base-Base interactions energy: -449.843
where: short stacking energy: -222.564
Base-Backbone interact. energy: 1.244
local terms energy: -428.701615
where:
bonds (distance) C4'-P energy: -87.686
bonds (distance) P-C4' energy: -127.009
flat angles C4'-P-C4' energy: -126.587
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -11.663
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: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2692.293714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.293714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.293714 (E_RNA)
where:
Base-Base interactions energy: -1867.420
where: short stacking energy: -775.518
Base-Backbone interact. energy: -5.386
local terms energy: -819.488078
where:
bonds (distance) C4'-P energy: -152.940
bonds (distance) P-C4' energy: -145.093
flat angles C4'-P-C4' energy: -170.606
flat angles P-C4'-P energy: -123.121
tors. eta vs tors. theta energy: -227.729
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: 2, replica: 6
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2618.282866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.282866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.282866 (E_RNA)
where:
Base-Base interactions energy: -1797.321
where: short stacking energy: -781.899
Base-Backbone interact. energy: -0.900
local terms energy: -820.061874
where:
bonds (distance) C4'-P energy: -160.484
bonds (distance) P-C4' energy: -147.206
flat angles C4'-P-C4' energy: -164.255
flat angles P-C4'-P energy: -109.481
tors. eta vs tors. theta energy: -238.636
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: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2492.499899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.499899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.499899 (E_RNA)
where:
Base-Base interactions energy: -1732.767
where: short stacking energy: -729.789
Base-Backbone interact. energy: -3.454
local terms energy: -756.279245
where:
bonds (distance) C4'-P energy: -124.763
bonds (distance) P-C4' energy: -145.984
flat angles C4'-P-C4' energy: -156.137
flat angles P-C4'-P energy: -112.838
tors. eta vs tors. theta energy: -216.557
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: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2334.794072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.794072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.794072 (E_RNA)
where:
Base-Base interactions energy: -1613.075
where: short stacking energy: -707.830
Base-Backbone interact. energy: 1.320
local terms energy: -723.038419
where:
bonds (distance) C4'-P energy: -139.951
bonds (distance) P-C4' energy: -120.947
flat angles C4'-P-C4' energy: -155.553
flat angles P-C4'-P energy: -104.848
tors. eta vs tors. theta energy: -201.740
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: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2200.649230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.649230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.649230 (E_RNA)
where:
Base-Base interactions energy: -1535.747
where: short stacking energy: -657.172
Base-Backbone interact. energy: -2.903
local terms energy: -661.998929
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -132.466
flat angles C4'-P-C4' energy: -145.469
flat angles P-C4'-P energy: -99.627
tors. eta vs tors. theta energy: -176.591
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: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2120.398636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.398636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.398636 (E_RNA)
where:
Base-Base interactions energy: -1455.339
where: short stacking energy: -628.383
Base-Backbone interact. energy: 1.563
local terms energy: -666.622672
where:
bonds (distance) C4'-P energy: -107.678
bonds (distance) P-C4' energy: -146.095
flat angles C4'-P-C4' energy: -140.755
flat angles P-C4'-P energy: -89.834
tors. eta vs tors. theta energy: -182.260
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: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1724.978550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.978550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.978550 (E_RNA)
where:
Base-Base interactions energy: -1132.605
where: short stacking energy: -514.803
Base-Backbone interact. energy: -2.572
local terms energy: -589.801393
where:
bonds (distance) C4'-P energy: -119.930
bonds (distance) P-C4' energy: -121.716
flat angles C4'-P-C4' energy: -124.538
flat angles P-C4'-P energy: -85.646
tors. eta vs tors. theta energy: -137.971
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: 488
Temperature: 1.250000
Total energy: -1407.520435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.520435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.520435 (E_RNA)
where:
Base-Base interactions energy: -881.919
where: short stacking energy: -394.159
Base-Backbone interact. energy: -5.608
local terms energy: -519.993262
where:
bonds (distance) C4'-P energy: -110.851
bonds (distance) P-C4' energy: -119.836
flat angles C4'-P-C4' energy: -132.234
flat angles P-C4'-P energy: -77.761
tors. eta vs tors. theta energy: -79.312
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: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -913.590477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.590477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.590477 (E_RNA)
where:
Base-Base interactions energy: -480.201
where: short stacking energy: -269.858
Base-Backbone interact. energy: -3.304
local terms energy: -430.085073
where:
bonds (distance) C4'-P energy: -124.247
bonds (distance) P-C4' energy: -118.523
flat angles C4'-P-C4' energy: -106.704
flat angles P-C4'-P energy: -59.129
tors. eta vs tors. theta energy: -21.481
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: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -811.208344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.208344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.208344 (E_RNA)
where:
Base-Base interactions energy: -419.402
where: short stacking energy: -258.770
Base-Backbone interact. energy: 4.267
local terms energy: -396.073812
where:
bonds (distance) C4'-P energy: -120.916
bonds (distance) P-C4' energy: -111.902
flat angles C4'-P-C4' energy: -99.078
flat angles P-C4'-P energy: -47.784
tors. eta vs tors. theta energy: -16.394
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: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2682.255872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.255872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.255872 (E_RNA)
where:
Base-Base interactions energy: -1876.033
where: short stacking energy: -789.678
Base-Backbone interact. energy: -0.232
local terms energy: -805.991027
where:
bonds (distance) C4'-P energy: -143.306
bonds (distance) P-C4' energy: -146.921
flat angles C4'-P-C4' energy: -178.037
flat angles P-C4'-P energy: -110.567
tors. eta vs tors. theta energy: -227.159
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: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2605.598232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.598232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.598232 (E_RNA)
where:
Base-Base interactions energy: -1810.868
where: short stacking energy: -772.742
Base-Backbone interact. energy: -3.383
local terms energy: -791.347582
where:
bonds (distance) C4'-P energy: -130.973
bonds (distance) P-C4' energy: -146.960
flat angles C4'-P-C4' energy: -159.862
flat angles P-C4'-P energy: -109.227
tors. eta vs tors. theta energy: -244.326
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: 489
Temperature: 1.000000
Total energy: -2514.257561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.257561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.257561 (E_RNA)
where:
Base-Base interactions energy: -1757.513
where: short stacking energy: -740.489
Base-Backbone interact. energy: 2.118
local terms energy: -758.862675
where:
bonds (distance) C4'-P energy: -139.867
bonds (distance) P-C4' energy: -134.278
flat angles C4'-P-C4' energy: -161.291
flat angles P-C4'-P energy: -102.982
tors. eta vs tors. theta energy: -220.445
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: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2354.122232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.122232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.122232 (E_RNA)
where:
Base-Base interactions energy: -1628.893
where: short stacking energy: -677.236
Base-Backbone interact. energy: -3.814
local terms energy: -721.415700
where:
bonds (distance) C4'-P energy: -136.219
bonds (distance) P-C4' energy: -123.320
flat angles C4'-P-C4' energy: -149.208
flat angles P-C4'-P energy: -114.859
tors. eta vs tors. theta energy: -197.809
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: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2148.750841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.750841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.750841 (E_RNA)
where:
Base-Base interactions energy: -1486.294
where: short stacking energy: -633.593
Base-Backbone interact. energy: -1.555
local terms energy: -660.901905
where:
bonds (distance) C4'-P energy: -110.011
bonds (distance) P-C4' energy: -140.714
flat angles C4'-P-C4' energy: -152.271
flat angles P-C4'-P energy: -84.209
tors. eta vs tors. theta energy: -173.696
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: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2140.301677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.301677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.301677 (E_RNA)
where:
Base-Base interactions energy: -1476.544
where: short stacking energy: -632.437
Base-Backbone interact. energy: 0.604
local terms energy: -664.361393
where:
bonds (distance) C4'-P energy: -105.586
bonds (distance) P-C4' energy: -124.306
flat angles C4'-P-C4' energy: -157.610
flat angles P-C4'-P energy: -95.133
tors. eta vs tors. theta energy: -181.727
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: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1720.711819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.711819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.711819 (E_RNA)
where:
Base-Base interactions energy: -1156.160
where: short stacking energy: -504.971
Base-Backbone interact. energy: -3.695
local terms energy: -560.856665
where:
bonds (distance) C4'-P energy: -117.532
bonds (distance) P-C4' energy: -131.859
flat angles C4'-P-C4' energy: -113.739
flat angles P-C4'-P energy: -83.499
tors. eta vs tors. theta energy: -114.228
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: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1439.017174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.017174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.017174 (E_RNA)
where:
Base-Base interactions energy: -919.895
where: short stacking energy: -406.226
Base-Backbone interact. energy: 3.285
local terms energy: -522.406644
where:
bonds (distance) C4'-P energy: -100.574
bonds (distance) P-C4' energy: -126.300
flat angles C4'-P-C4' energy: -131.447
flat angles P-C4'-P energy: -79.897
tors. eta vs tors. theta energy: -84.188
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: 489
Temperature: 1.300000
Total energy: -902.127607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.127607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.127607 (E_RNA)
where:
Base-Base interactions energy: -492.522
where: short stacking energy: -279.932
Base-Backbone interact. energy: -0.425
local terms energy: -409.180538
where:
bonds (distance) C4'-P energy: -106.842
bonds (distance) P-C4' energy: -131.301
flat angles C4'-P-C4' energy: -92.090
flat angles P-C4'-P energy: -50.522
tors. eta vs tors. theta energy: -28.425
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: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -755.758955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.758955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.758955 (E_RNA)
where:
Base-Base interactions energy: -364.707
where: short stacking energy: -219.802
Base-Backbone interact. energy: 3.540
local terms energy: -394.591920
where:
bonds (distance) C4'-P energy: -102.638
bonds (distance) P-C4' energy: -121.744
flat angles C4'-P-C4' energy: -102.486
flat angles P-C4'-P energy: -64.230
tors. eta vs tors. theta energy: -3.494
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: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2676.828334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.828334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.828334 (E_RNA)
where:
Base-Base interactions energy: -1883.309
where: short stacking energy: -803.893
Base-Backbone interact. energy: -0.294
local terms energy: -793.224810
where:
bonds (distance) C4'-P energy: -143.518
bonds (distance) P-C4' energy: -152.977
flat angles C4'-P-C4' energy: -164.010
flat angles P-C4'-P energy: -104.734
tors. eta vs tors. theta energy: -227.986
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: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2610.506308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.506308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.506308 (E_RNA)
where:
Base-Base interactions energy: -1784.495
where: short stacking energy: -765.988
Base-Backbone interact. energy: -3.323
local terms energy: -822.688408
where:
bonds (distance) C4'-P energy: -143.443
bonds (distance) P-C4' energy: -154.655
flat angles C4'-P-C4' energy: -163.732
flat angles P-C4'-P energy: -115.814
tors. eta vs tors. theta energy: -245.045
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: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2543.391648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.391648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.391648 (E_RNA)
where:
Base-Base interactions energy: -1778.321
where: short stacking energy: -727.190
Base-Backbone interact. energy: -5.342
local terms energy: -759.728656
where:
bonds (distance) C4'-P energy: -141.833
bonds (distance) P-C4' energy: -132.214
flat angles C4'-P-C4' energy: -157.282
flat angles P-C4'-P energy: -114.791
tors. eta vs tors. theta energy: -213.608
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: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2390.752366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.752366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.752366 (E_RNA)
where:
Base-Base interactions energy: -1654.391
where: short stacking energy: -719.610
Base-Backbone interact. energy: -0.419
local terms energy: -735.942541
where:
bonds (distance) C4'-P energy: -120.004
bonds (distance) P-C4' energy: -145.249
flat angles C4'-P-C4' energy: -151.186
flat angles P-C4'-P energy: -110.733
tors. eta vs tors. theta energy: -208.772
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: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2187.479924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.479924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.479924 (E_RNA)
where:
Base-Base interactions energy: -1517.576
where: short stacking energy: -639.341
Base-Backbone interact. energy: -0.949
local terms energy: -668.954825
where:
bonds (distance) C4'-P energy: -136.158
bonds (distance) P-C4' energy: -122.388
flat angles C4'-P-C4' energy: -152.283
flat angles P-C4'-P energy: -92.773
tors. eta vs tors. theta energy: -165.353
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: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2191.460841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.460841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.460841 (E_RNA)
where:
Base-Base interactions energy: -1535.850
where: short stacking energy: -666.376
Base-Backbone interact. energy: -2.427
local terms energy: -653.183949
where:
bonds (distance) C4'-P energy: -112.820
bonds (distance) P-C4' energy: -115.093
flat angles C4'-P-C4' energy: -156.927
flat angles P-C4'-P energy: -80.700
tors. eta vs tors. theta energy: -187.645
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: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1690.630483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.630483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.630483 (E_RNA)
where:
Base-Base interactions energy: -1091.632
where: short stacking energy: -482.284
Base-Backbone interact. energy: -1.358
local terms energy: -597.640359
where:
bonds (distance) C4'-P energy: -111.762
bonds (distance) P-C4' energy: -137.624
flat angles C4'-P-C4' energy: -140.780
flat angles P-C4'-P energy: -88.509
tors. eta vs tors. theta energy: -118.965
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: 490
Temperature: 1.250000
Total energy: -1481.511617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.511617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.511617 (E_RNA)
where:
Base-Base interactions energy: -976.728
where: short stacking energy: -414.491
Base-Backbone interact. energy: -2.673
local terms energy: -502.110438
where:
bonds (distance) C4'-P energy: -84.135
bonds (distance) P-C4' energy: -128.875
flat angles C4'-P-C4' energy: -127.942
flat angles P-C4'-P energy: -68.493
tors. eta vs tors. theta energy: -92.666
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: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -889.235075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.235075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.235075 (E_RNA)
where:
Base-Base interactions energy: -481.780
where: short stacking energy: -261.388
Base-Backbone interact. energy: -1.525
local terms energy: -405.929802
where:
bonds (distance) C4'-P energy: -119.650
bonds (distance) P-C4' energy: -113.020
flat angles C4'-P-C4' energy: -96.802
flat angles P-C4'-P energy: -74.364
tors. eta vs tors. theta energy: -2.094
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: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -774.012332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.012332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.012332 (E_RNA)
where:
Base-Base interactions energy: -400.780
where: short stacking energy: -224.586
Base-Backbone interact. energy: -1.577
local terms energy: -371.655736
where:
bonds (distance) C4'-P energy: -91.758
bonds (distance) P-C4' energy: -121.094
flat angles C4'-P-C4' energy: -89.413
flat angles P-C4'-P energy: -76.410
tors. eta vs tors. theta energy: 7.021
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: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2670.732405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.732405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.732405 (E_RNA)
where:
Base-Base interactions energy: -1861.024
where: short stacking energy: -779.052
Base-Backbone interact. energy: -3.312
local terms energy: -806.397057
where:
bonds (distance) C4'-P energy: -131.645
bonds (distance) P-C4' energy: -150.897
flat angles C4'-P-C4' energy: -178.182
flat angles P-C4'-P energy: -117.057
tors. eta vs tors. theta energy: -228.616
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: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2609.731824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.731824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.731824 (E_RNA)
where:
Base-Base interactions energy: -1810.045
where: short stacking energy: -782.260
Base-Backbone interact. energy: -4.333
local terms energy: -795.353889
where:
bonds (distance) C4'-P energy: -162.351
bonds (distance) P-C4' energy: -127.547
flat angles C4'-P-C4' energy: -159.444
flat angles P-C4'-P energy: -115.820
tors. eta vs tors. theta energy: -230.191
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: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2567.505397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.505397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.505397 (E_RNA)
where:
Base-Base interactions energy: -1810.567
where: short stacking energy: -746.755
Base-Backbone interact. energy: -4.589
local terms energy: -752.349248
where:
bonds (distance) C4'-P energy: -127.919
bonds (distance) P-C4' energy: -138.571
flat angles C4'-P-C4' energy: -158.093
flat angles P-C4'-P energy: -107.431
tors. eta vs tors. theta energy: -220.335
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: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2372.804218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.804218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.804218 (E_RNA)
where:
Base-Base interactions energy: -1636.753
where: short stacking energy: -730.218
Base-Backbone interact. energy: 0.569
local terms energy: -736.619962
where:
bonds (distance) C4'-P energy: -132.807
bonds (distance) P-C4' energy: -126.429
flat angles C4'-P-C4' energy: -166.849
flat angles P-C4'-P energy: -100.181
tors. eta vs tors. theta energy: -210.353
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: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2147.255295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.255295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.255295 (E_RNA)
where:
Base-Base interactions energy: -1497.426
where: short stacking energy: -649.368
Base-Backbone interact. energy: -1.185
local terms energy: -648.644442
where:
bonds (distance) C4'-P energy: -116.156
bonds (distance) P-C4' energy: -116.918
flat angles C4'-P-C4' energy: -153.500
flat angles P-C4'-P energy: -99.840
tors. eta vs tors. theta energy: -162.231
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: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2163.894127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.894127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.894127 (E_RNA)
where:
Base-Base interactions energy: -1504.576
where: short stacking energy: -633.889
Base-Backbone interact. energy: 3.356
local terms energy: -662.674293
where:
bonds (distance) C4'-P energy: -109.184
bonds (distance) P-C4' energy: -126.236
flat angles C4'-P-C4' energy: -152.686
flat angles P-C4'-P energy: -89.179
tors. eta vs tors. theta energy: -185.389
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: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1627.291959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.291959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.291959 (E_RNA)
where:
Base-Base interactions energy: -1051.109
where: short stacking energy: -459.269
Base-Backbone interact. energy: -2.358
local terms energy: -573.824542
where:
bonds (distance) C4'-P energy: -115.981
bonds (distance) P-C4' energy: -117.918
flat angles C4'-P-C4' energy: -142.905
flat angles P-C4'-P energy: -79.738
tors. eta vs tors. theta energy: -117.282
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: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1399.803484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.803484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.803484 (E_RNA)
where:
Base-Base interactions energy: -900.440
where: short stacking energy: -390.369
Base-Backbone interact. energy: -2.010
local terms energy: -497.353807
where:
bonds (distance) C4'-P energy: -93.376
bonds (distance) P-C4' energy: -110.318
flat angles C4'-P-C4' energy: -131.810
flat angles P-C4'-P energy: -77.965
tors. eta vs tors. theta energy: -83.885
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: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -970.365644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.365644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.365644 (E_RNA)
where:
Base-Base interactions energy: -512.792
where: short stacking energy: -287.367
Base-Backbone interact. energy: -1.757
local terms energy: -455.816318
where:
bonds (distance) C4'-P energy: -114.339
bonds (distance) P-C4' energy: -110.762
flat angles C4'-P-C4' energy: -121.922
flat angles P-C4'-P energy: -75.527
tors. eta vs tors. theta energy: -33.266
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: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -705.086185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.086185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.086185 (E_RNA)
where:
Base-Base interactions energy: -332.353
where: short stacking energy: -186.095
Base-Backbone interact. energy: 1.682
local terms energy: -374.414845
where:
bonds (distance) C4'-P energy: -109.381
bonds (distance) P-C4' energy: -118.765
flat angles C4'-P-C4' energy: -97.191
flat angles P-C4'-P energy: -56.293
tors. eta vs tors. theta energy: 7.214
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: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2706.025210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.025210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.025210 (E_RNA)
where:
Base-Base interactions energy: -1885.428
where: short stacking energy: -792.307
Base-Backbone interact. energy: -4.089
local terms energy: -816.507294
where:
bonds (distance) C4'-P energy: -143.918
bonds (distance) P-C4' energy: -135.134
flat angles C4'-P-C4' energy: -177.631
flat angles P-C4'-P energy: -128.934
tors. eta vs tors. theta energy: -230.890
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: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2622.869103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.869103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.869103 (E_RNA)
where:
Base-Base interactions energy: -1802.791
where: short stacking energy: -797.095
Base-Backbone interact. energy: -4.021
local terms energy: -816.057098
where:
bonds (distance) C4'-P energy: -147.047
bonds (distance) P-C4' energy: -149.452
flat angles C4'-P-C4' energy: -154.003
flat angles P-C4'-P energy: -116.187
tors. eta vs tors. theta energy: -249.368
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: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2564.355676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.355676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.355676 (E_RNA)
where:
Base-Base interactions energy: -1799.941
where: short stacking energy: -738.448
Base-Backbone interact. energy: -0.939
local terms energy: -763.475401
where:
bonds (distance) C4'-P energy: -140.294
bonds (distance) P-C4' energy: -141.679
flat angles C4'-P-C4' energy: -165.478
flat angles P-C4'-P energy: -91.889
tors. eta vs tors. theta energy: -224.135
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: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2364.639937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.639937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.639937 (E_RNA)
where:
Base-Base interactions energy: -1619.313
where: short stacking energy: -712.815
Base-Backbone interact. energy: -1.175
local terms energy: -744.151785
where:
bonds (distance) C4'-P energy: -129.321
bonds (distance) P-C4' energy: -133.859
flat angles C4'-P-C4' energy: -153.268
flat angles P-C4'-P energy: -109.865
tors. eta vs tors. theta energy: -217.839
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: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2164.841423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.841423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.841423 (E_RNA)
where:
Base-Base interactions energy: -1471.171
where: short stacking energy: -629.569
Base-Backbone interact. energy: -3.172
local terms energy: -690.498023
where:
bonds (distance) C4'-P energy: -128.385
bonds (distance) P-C4' energy: -151.522
flat angles C4'-P-C4' energy: -144.144
flat angles P-C4'-P energy: -102.914
tors. eta vs tors. theta energy: -163.533
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: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2134.098405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.098405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.098405 (E_RNA)
where:
Base-Base interactions energy: -1467.227
where: short stacking energy: -618.767
Base-Backbone interact. energy: -3.346
local terms energy: -663.524924
where:
bonds (distance) C4'-P energy: -111.277
bonds (distance) P-C4' energy: -135.570
flat angles C4'-P-C4' energy: -131.219
flat angles P-C4'-P energy: -99.172
tors. eta vs tors. theta energy: -186.287
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: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1678.379792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.379792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.379792 (E_RNA)
where:
Base-Base interactions energy: -1063.401
where: short stacking energy: -436.035
Base-Backbone interact. energy: -2.676
local terms energy: -612.302852
where:
bonds (distance) C4'-P energy: -136.973
bonds (distance) P-C4' energy: -138.943
flat angles C4'-P-C4' energy: -134.150
flat angles P-C4'-P energy: -95.462
tors. eta vs tors. theta energy: -106.776
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: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1479.899337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.899337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.899337 (E_RNA)
where:
Base-Base interactions energy: -962.715
where: short stacking energy: -446.595
Base-Backbone interact. energy: 1.703
local terms energy: -518.887965
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -119.648
flat angles C4'-P-C4' energy: -120.944
flat angles P-C4'-P energy: -66.035
tors. eta vs tors. theta energy: -100.292
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: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1018.143325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.143325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.143325 (E_RNA)
where:
Base-Base interactions energy: -589.307
where: short stacking energy: -297.555
Base-Backbone interact. energy: -3.557
local terms energy: -425.279856
where:
bonds (distance) C4'-P energy: -98.000
bonds (distance) P-C4' energy: -133.690
flat angles C4'-P-C4' energy: -109.544
flat angles P-C4'-P energy: -55.811
tors. eta vs tors. theta energy: -28.236
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: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -773.238963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.238963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.238963 (E_RNA)
where:
Base-Base interactions energy: -344.418
where: short stacking energy: -223.296
Base-Backbone interact. energy: -0.667
local terms energy: -428.153851
where:
bonds (distance) C4'-P energy: -122.753
bonds (distance) P-C4' energy: -113.939
flat angles C4'-P-C4' energy: -119.887
flat angles P-C4'-P energy: -68.686
tors. eta vs tors. theta energy: -2.889
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: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2663.753128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.753128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.753128 (E_RNA)
where:
Base-Base interactions energy: -1859.416
where: short stacking energy: -794.909
Base-Backbone interact. energy: -1.184
local terms energy: -803.152476
where:
bonds (distance) C4'-P energy: -139.771
bonds (distance) P-C4' energy: -147.650
flat angles C4'-P-C4' energy: -171.989
flat angles P-C4'-P energy: -114.439
tors. eta vs tors. theta energy: -229.303
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: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2634.049526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.049526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.049526 (E_RNA)
where:
Base-Base interactions energy: -1813.205
where: short stacking energy: -793.374
Base-Backbone interact. energy: -3.222
local terms energy: -817.622205
where:
bonds (distance) C4'-P energy: -142.295
bonds (distance) P-C4' energy: -143.220
flat angles C4'-P-C4' energy: -172.726
flat angles P-C4'-P energy: -114.747
tors. eta vs tors. theta energy: -244.635
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: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2567.125733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.125733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.125733 (E_RNA)
where:
Base-Base interactions energy: -1807.647
where: short stacking energy: -746.519
Base-Backbone interact. energy: -4.878
local terms energy: -754.600963
where:
bonds (distance) C4'-P energy: -142.003
bonds (distance) P-C4' energy: -129.010
flat angles C4'-P-C4' energy: -155.552
flat angles P-C4'-P energy: -109.819
tors. eta vs tors. theta energy: -218.216
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: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2373.368863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.368863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.368863 (E_RNA)
where:
Base-Base interactions energy: -1643.653
where: short stacking energy: -717.756
Base-Backbone interact. energy: -3.989
local terms energy: -725.726174
where:
bonds (distance) C4'-P energy: -134.183
bonds (distance) P-C4' energy: -124.592
flat angles C4'-P-C4' energy: -158.460
flat angles P-C4'-P energy: -104.797
tors. eta vs tors. theta energy: -203.693
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: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2198.897355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.897355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.897355 (E_RNA)
where:
Base-Base interactions energy: -1513.810
where: short stacking energy: -641.612
Base-Backbone interact. energy: 2.058
local terms energy: -687.145345
where:
bonds (distance) C4'-P energy: -119.425
bonds (distance) P-C4' energy: -128.092
flat angles C4'-P-C4' energy: -158.588
flat angles P-C4'-P energy: -103.176
tors. eta vs tors. theta energy: -177.864
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: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2084.440845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.440845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.440845 (E_RNA)
where:
Base-Base interactions energy: -1383.802
where: short stacking energy: -593.682
Base-Backbone interact. energy: -0.999
local terms energy: -699.639648
where:
bonds (distance) C4'-P energy: -137.545
bonds (distance) P-C4' energy: -133.422
flat angles C4'-P-C4' energy: -140.531
flat angles P-C4'-P energy: -113.631
tors. eta vs tors. theta energy: -174.511
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: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1665.848904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.848904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.848904 (E_RNA)
where:
Base-Base interactions energy: -1093.712
where: short stacking energy: -472.285
Base-Backbone interact. energy: 0.908
local terms energy: -573.044624
where:
bonds (distance) C4'-P energy: -114.388
bonds (distance) P-C4' energy: -123.251
flat angles C4'-P-C4' energy: -128.112
flat angles P-C4'-P energy: -81.436
tors. eta vs tors. theta energy: -125.857
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: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1512.463682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.463682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.463682 (E_RNA)
where:
Base-Base interactions energy: -1010.222
where: short stacking energy: -439.603
Base-Backbone interact. energy: 5.800
local terms energy: -508.041786
where:
bonds (distance) C4'-P energy: -109.161
bonds (distance) P-C4' energy: -113.426
flat angles C4'-P-C4' energy: -128.619
flat angles P-C4'-P energy: -64.643
tors. eta vs tors. theta energy: -92.193
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: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1055.060289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.060289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.060289 (E_RNA)
where:
Base-Base interactions energy: -613.732
where: short stacking energy: -311.840
Base-Backbone interact. energy: 0.280
local terms energy: -441.608657
where:
bonds (distance) C4'-P energy: -114.158
bonds (distance) P-C4' energy: -120.106
flat angles C4'-P-C4' energy: -110.608
flat angles P-C4'-P energy: -63.640
tors. eta vs tors. theta energy: -33.097
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: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -767.329205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.329205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.329205 (E_RNA)
where:
Base-Base interactions energy: -422.257
where: short stacking energy: -240.923
Base-Backbone interact. energy: 3.761
local terms energy: -348.833351
where:
bonds (distance) C4'-P energy: -104.558
bonds (distance) P-C4' energy: -119.135
flat angles C4'-P-C4' energy: -73.209
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: -6.181
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: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2687.454303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.454303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.454303 (E_RNA)
where:
Base-Base interactions energy: -1845.660
where: short stacking energy: -808.202
Base-Backbone interact. energy: -2.016
local terms energy: -839.778797
where:
bonds (distance) C4'-P energy: -141.942
bonds (distance) P-C4' energy: -141.160
flat angles C4'-P-C4' energy: -174.262
flat angles P-C4'-P energy: -127.966
tors. eta vs tors. theta energy: -254.450
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: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2600.532659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.532659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.532659 (E_RNA)
where:
Base-Base interactions energy: -1800.887
where: short stacking energy: -749.749
Base-Backbone interact. energy: -5.744
local terms energy: -793.901224
where:
bonds (distance) C4'-P energy: -141.538
bonds (distance) P-C4' energy: -148.656
flat angles C4'-P-C4' energy: -172.110
flat angles P-C4'-P energy: -114.421
tors. eta vs tors. theta energy: -217.176
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: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2547.540156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.540156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.540156 (E_RNA)
where:
Base-Base interactions energy: -1799.113
where: short stacking energy: -758.359
Base-Backbone interact. energy: 2.911
local terms energy: -751.337592
where:
bonds (distance) C4'-P energy: -131.371
bonds (distance) P-C4' energy: -127.007
flat angles C4'-P-C4' energy: -172.953
flat angles P-C4'-P energy: -108.800
tors. eta vs tors. theta energy: -211.207
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: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2372.365797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.365797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.365797 (E_RNA)
where:
Base-Base interactions energy: -1620.534
where: short stacking energy: -702.519
Base-Backbone interact. energy: -3.767
local terms energy: -748.064365
where:
bonds (distance) C4'-P energy: -132.503
bonds (distance) P-C4' energy: -136.081
flat angles C4'-P-C4' energy: -154.545
flat angles P-C4'-P energy: -107.186
tors. eta vs tors. theta energy: -217.749
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: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2156.335970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.335970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.335970 (E_RNA)
where:
Base-Base interactions energy: -1504.198
where: short stacking energy: -610.004
Base-Backbone interact. energy: -1.812
local terms energy: -650.326190
where:
bonds (distance) C4'-P energy: -98.793
bonds (distance) P-C4' energy: -132.092
flat angles C4'-P-C4' energy: -153.392
flat angles P-C4'-P energy: -98.678
tors. eta vs tors. theta energy: -167.371
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: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2078.022133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.022133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.022133 (E_RNA)
where:
Base-Base interactions energy: -1421.798
where: short stacking energy: -624.184
Base-Backbone interact. energy: -0.592
local terms energy: -655.632225
where:
bonds (distance) C4'-P energy: -116.143
bonds (distance) P-C4' energy: -120.786
flat angles C4'-P-C4' energy: -158.633
flat angles P-C4'-P energy: -88.843
tors. eta vs tors. theta energy: -171.227
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: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1672.678749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.678749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.678749 (E_RNA)
where:
Base-Base interactions energy: -1086.128
where: short stacking energy: -485.729
Base-Backbone interact. energy: -2.249
local terms energy: -584.301889
where:
bonds (distance) C4'-P energy: -131.899
bonds (distance) P-C4' energy: -132.762
flat angles C4'-P-C4' energy: -140.882
flat angles P-C4'-P energy: -68.788
tors. eta vs tors. theta energy: -109.970
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: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1518.910927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.910927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.910927 (E_RNA)
where:
Base-Base interactions energy: -974.586
where: short stacking energy: -437.288
Base-Backbone interact. energy: 2.403
local terms energy: -546.727638
where:
bonds (distance) C4'-P energy: -119.792
bonds (distance) P-C4' energy: -110.582
flat angles C4'-P-C4' energy: -127.096
flat angles P-C4'-P energy: -86.631
tors. eta vs tors. theta energy: -102.625
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: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1066.838720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.838720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.838720 (E_RNA)
where:
Base-Base interactions energy: -601.622
where: short stacking energy: -314.224
Base-Backbone interact. energy: -1.487
local terms energy: -463.729898
where:
bonds (distance) C4'-P energy: -98.316
bonds (distance) P-C4' energy: -113.767
flat angles C4'-P-C4' energy: -124.844
flat angles P-C4'-P energy: -73.794
tors. eta vs tors. theta energy: -53.008
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: 10, replica: 2
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -808.367528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.367528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.367528 (E_RNA)
where:
Base-Base interactions energy: -396.938
where: short stacking energy: -229.805
Base-Backbone interact. energy: 10.642
local terms energy: -422.071760
where:
bonds (distance) C4'-P energy: -123.580
bonds (distance) P-C4' energy: -125.207
flat angles C4'-P-C4' energy: -106.617
flat angles P-C4'-P energy: -61.869
tors. eta vs tors. theta energy: -4.798
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: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2714.025892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.025892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.025892 (E_RNA)
where:
Base-Base interactions energy: -1845.520
where: short stacking energy: -831.523
Base-Backbone interact. energy: -0.745
local terms energy: -867.760743
where:
bonds (distance) C4'-P energy: -155.173
bonds (distance) P-C4' energy: -161.791
flat angles C4'-P-C4' energy: -173.073
flat angles P-C4'-P energy: -125.190
tors. eta vs tors. theta energy: -252.534
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: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2594.914476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.914476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.914476 (E_RNA)
where:
Base-Base interactions energy: -1780.302
where: short stacking energy: -720.678
Base-Backbone interact. energy: -2.056
local terms energy: -812.556261
where:
bonds (distance) C4'-P energy: -138.880
bonds (distance) P-C4' energy: -156.069
flat angles C4'-P-C4' energy: -165.872
flat angles P-C4'-P energy: -127.584
tors. eta vs tors. theta energy: -224.150
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: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2539.626851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.626851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.626851 (E_RNA)
where:
Base-Base interactions energy: -1777.040
where: short stacking energy: -737.931
Base-Backbone interact. energy: -0.898
local terms energy: -761.689007
where:
bonds (distance) C4'-P energy: -146.458
bonds (distance) P-C4' energy: -132.508
flat angles C4'-P-C4' energy: -158.770
flat angles P-C4'-P energy: -103.187
tors. eta vs tors. theta energy: -220.766
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: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2366.938369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.938369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.938369 (E_RNA)
where:
Base-Base interactions energy: -1618.540
where: short stacking energy: -705.860
Base-Backbone interact. energy: -6.170
local terms energy: -742.228290
where:
bonds (distance) C4'-P energy: -124.268
bonds (distance) P-C4' energy: -139.501
flat angles C4'-P-C4' energy: -161.596
flat angles P-C4'-P energy: -105.644
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: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2223.188599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.188599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.188599 (E_RNA)
where:
Base-Base interactions energy: -1503.631
where: short stacking energy: -625.284
Base-Backbone interact. energy: 0.411
local terms energy: -719.968895
where:
bonds (distance) C4'-P energy: -134.103
bonds (distance) P-C4' energy: -138.672
flat angles C4'-P-C4' energy: -156.860
flat angles P-C4'-P energy: -111.288
tors. eta vs tors. theta energy: -179.046
Dist. restrs. and SS energy: 0.000 (S_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: 495
Temperature: 1.150000
Total energy: -2025.995406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.995406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.995406 (E_RNA)
where:
Base-Base interactions energy: -1398.193
where: short stacking energy: -577.429
Base-Backbone interact. energy: -0.337
local terms energy: -627.464691
where:
bonds (distance) C4'-P energy: -108.803
bonds (distance) P-C4' energy: -118.617
flat angles C4'-P-C4' energy: -149.628
flat angles P-C4'-P energy: -94.904
tors. eta vs tors. theta energy: -155.513
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: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1659.614817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.614817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.614817 (E_RNA)
where:
Base-Base interactions energy: -1087.287
where: short stacking energy: -484.999
Base-Backbone interact. energy: 6.159
local terms energy: -578.486990
where:
bonds (distance) C4'-P energy: -126.301
bonds (distance) P-C4' energy: -106.698
flat angles C4'-P-C4' energy: -138.670
flat angles P-C4'-P energy: -83.315
tors. eta vs tors. theta energy: -123.503
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: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1468.096523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.096523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.096523 (E_RNA)
where:
Base-Base interactions energy: -930.880
where: short stacking energy: -389.751
Base-Backbone interact. energy: 2.486
local terms energy: -539.701936
where:
bonds (distance) C4'-P energy: -100.434
bonds (distance) P-C4' energy: -133.454
flat angles C4'-P-C4' energy: -121.884
flat angles P-C4'-P energy: -96.060
tors. eta vs tors. theta energy: -87.871
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: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1078.977044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.977044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.977044 (E_RNA)
where:
Base-Base interactions energy: -623.150
where: short stacking energy: -285.053
Base-Backbone interact. energy: 3.485
local terms energy: -459.311681
where:
bonds (distance) C4'-P energy: -114.515
bonds (distance) P-C4' energy: -129.197
flat angles C4'-P-C4' energy: -118.666
flat angles P-C4'-P energy: -81.103
tors. eta vs tors. theta energy: -15.830
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: 2
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -816.875941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.875941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.875941 (E_RNA)
where:
Base-Base interactions energy: -423.179
where: short stacking energy: -234.393
Base-Backbone interact. energy: 7.693
local terms energy: -401.389679
where:
bonds (distance) C4'-P energy: -101.650
bonds (distance) P-C4' energy: -122.713
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -62.322
tors. eta vs tors. theta energy: -3.641
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: 1, replica: 6
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2719.310029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.310029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.310029 (E_RNA)
where:
Base-Base interactions energy: -1874.869
where: short stacking energy: -846.622
Base-Backbone interact. energy: -3.537
local terms energy: -840.903460
where:
bonds (distance) C4'-P energy: -145.830
bonds (distance) P-C4' energy: -133.674
flat angles C4'-P-C4' energy: -182.761
flat angles P-C4'-P energy: -130.702
tors. eta vs tors. theta energy: -247.938
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: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2582.596086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.596086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.596086 (E_RNA)
where:
Base-Base interactions energy: -1815.341
where: short stacking energy: -726.371
Base-Backbone interact. energy: -1.639
local terms energy: -765.615733
where:
bonds (distance) C4'-P energy: -133.239
bonds (distance) P-C4' energy: -135.131
flat angles C4'-P-C4' energy: -170.347
flat angles P-C4'-P energy: -113.510
tors. eta vs tors. theta energy: -213.388
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: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2550.380074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.380074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.380074 (E_RNA)
where:
Base-Base interactions energy: -1756.553
where: short stacking energy: -766.760
Base-Backbone interact. energy: -5.447
local terms energy: -788.380712
where:
bonds (distance) C4'-P energy: -141.586
bonds (distance) P-C4' energy: -150.884
flat angles C4'-P-C4' energy: -159.394
flat angles P-C4'-P energy: -109.819
tors. eta vs tors. theta energy: -226.697
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: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2377.187977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.187977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.187977 (E_RNA)
where:
Base-Base interactions energy: -1667.517
where: short stacking energy: -727.814
Base-Backbone interact. energy: -5.242
local terms energy: -704.428139
where:
bonds (distance) C4'-P energy: -118.891
bonds (distance) P-C4' energy: -122.743
flat angles C4'-P-C4' energy: -157.351
flat angles P-C4'-P energy: -99.262
tors. eta vs tors. theta energy: -206.181
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: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2170.366900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.366900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.366900 (E_RNA)
where:
Base-Base interactions energy: -1518.627
where: short stacking energy: -624.107
Base-Backbone interact. energy: -2.192
local terms energy: -649.547597
where:
bonds (distance) C4'-P energy: -129.975
bonds (distance) P-C4' energy: -115.827
flat angles C4'-P-C4' energy: -140.809
flat angles P-C4'-P energy: -92.192
tors. eta vs tors. theta energy: -170.745
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: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2085.343571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.343571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.343571 (E_RNA)
where:
Base-Base interactions energy: -1411.919
where: short stacking energy: -621.298
Base-Backbone interact. energy: -1.558
local terms energy: -671.866352
where:
bonds (distance) C4'-P energy: -134.092
bonds (distance) P-C4' energy: -126.096
flat angles C4'-P-C4' energy: -150.177
flat angles P-C4'-P energy: -93.051
tors. eta vs tors. theta energy: -168.451
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: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1694.749810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.749810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.749810 (E_RNA)
where:
Base-Base interactions energy: -1111.567
where: short stacking energy: -521.541
Base-Backbone interact. energy: 5.416
local terms energy: -588.598717
where:
bonds (distance) C4'-P energy: -107.738
bonds (distance) P-C4' energy: -128.991
flat angles C4'-P-C4' energy: -134.699
flat angles P-C4'-P energy: -89.802
tors. eta vs tors. theta energy: -127.368
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: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1541.781288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.781288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.781288 (E_RNA)
where:
Base-Base interactions energy: -991.607
where: short stacking energy: -468.414
Base-Backbone interact. energy: 0.874
local terms energy: -551.048497
where:
bonds (distance) C4'-P energy: -102.014
bonds (distance) P-C4' energy: -140.353
flat angles C4'-P-C4' energy: -138.593
flat angles P-C4'-P energy: -63.151
tors. eta vs tors. theta energy: -106.938
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: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1055.530621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.530621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.530621 (E_RNA)
where:
Base-Base interactions energy: -604.423
where: short stacking energy: -296.218
Base-Backbone interact. energy: 8.987
local terms energy: -460.095021
where:
bonds (distance) C4'-P energy: -120.346
bonds (distance) P-C4' energy: -127.627
flat angles C4'-P-C4' energy: -118.767
flat angles P-C4'-P energy: -67.835
tors. eta vs tors. theta energy: -25.520
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: 10, replica: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -786.877527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.877527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.877527 (E_RNA)
where:
Base-Base interactions energy: -419.443
where: short stacking energy: -249.402
Base-Backbone interact. energy: -3.335
local terms energy: -364.099772
where:
bonds (distance) C4'-P energy: -109.219
bonds (distance) P-C4' energy: -111.282
flat angles C4'-P-C4' energy: -91.796
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -4.979
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: 1, replica: 6
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2715.132954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.132954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.132954 (E_RNA)
where:
Base-Base interactions energy: -1878.750
where: short stacking energy: -834.030
Base-Backbone interact. energy: -2.495
local terms energy: -833.887451
where:
bonds (distance) C4'-P energy: -158.847
bonds (distance) P-C4' energy: -137.239
flat angles C4'-P-C4' energy: -177.128
flat angles P-C4'-P energy: -102.432
tors. eta vs tors. theta energy: -258.242
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: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2634.297389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.297389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.297389 (E_RNA)
where:
Base-Base interactions energy: -1826.755
where: short stacking energy: -798.124
Base-Backbone interact. energy: 0.015
local terms energy: -807.557910
where:
bonds (distance) C4'-P energy: -133.650
bonds (distance) P-C4' energy: -150.428
flat angles C4'-P-C4' energy: -168.557
flat angles P-C4'-P energy: -115.058
tors. eta vs tors. theta energy: -239.864
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: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2540.188462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.188462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.188462 (E_RNA)
where:
Base-Base interactions energy: -1750.478
where: short stacking energy: -726.804
Base-Backbone interact. energy: -3.606
local terms energy: -786.103818
where:
bonds (distance) C4'-P energy: -146.740
bonds (distance) P-C4' energy: -152.722
flat angles C4'-P-C4' energy: -165.087
flat angles P-C4'-P energy: -106.925
tors. eta vs tors. theta energy: -214.630
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: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2396.412558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.412558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.412558 (E_RNA)
where:
Base-Base interactions energy: -1667.284
where: short stacking energy: -736.727
Base-Backbone interact. energy: -3.787
local terms energy: -725.341281
where:
bonds (distance) C4'-P energy: -147.157
bonds (distance) P-C4' energy: -119.656
flat angles C4'-P-C4' energy: -142.917
flat angles P-C4'-P energy: -104.670
tors. eta vs tors. theta energy: -210.941
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: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2132.873858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.873858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.873858 (E_RNA)
where:
Base-Base interactions energy: -1476.057
where: short stacking energy: -613.333
Base-Backbone interact. energy: 1.429
local terms energy: -658.246111
where:
bonds (distance) C4'-P energy: -129.438
bonds (distance) P-C4' energy: -124.502
flat angles C4'-P-C4' energy: -146.022
flat angles P-C4'-P energy: -98.177
tors. eta vs tors. theta energy: -160.107
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: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2072.691627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.691627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.691627 (E_RNA)
where:
Base-Base interactions energy: -1380.036
where: short stacking energy: -585.086
Base-Backbone interact. energy: -1.277
local terms energy: -691.378867
where:
bonds (distance) C4'-P energy: -144.543
bonds (distance) P-C4' energy: -143.771
flat angles C4'-P-C4' energy: -136.121
flat angles P-C4'-P energy: -99.070
tors. eta vs tors. theta energy: -167.874
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: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1694.847002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.847002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.847002 (E_RNA)
where:
Base-Base interactions energy: -1100.515
where: short stacking energy: -473.577
Base-Backbone interact. energy: -2.423
local terms energy: -591.909359
where:
bonds (distance) C4'-P energy: -132.488
bonds (distance) P-C4' energy: -125.830
flat angles C4'-P-C4' energy: -141.342
flat angles P-C4'-P energy: -80.270
tors. eta vs tors. theta energy: -111.980
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: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1464.719150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.719150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.719150 (E_RNA)
where:
Base-Base interactions energy: -957.917
where: short stacking energy: -426.653
Base-Backbone interact. energy: -0.627
local terms energy: -506.175242
where:
bonds (distance) C4'-P energy: -114.138
bonds (distance) P-C4' energy: -114.459
flat angles C4'-P-C4' energy: -114.704
flat angles P-C4'-P energy: -70.584
tors. eta vs tors. theta energy: -92.291
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: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1102.952503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.952503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.952503 (E_RNA)
where:
Base-Base interactions energy: -613.285
where: short stacking energy: -326.206
Base-Backbone interact. energy: -0.731
local terms energy: -488.936593
where:
bonds (distance) C4'-P energy: -136.234
bonds (distance) P-C4' energy: -118.558
flat angles C4'-P-C4' energy: -112.237
flat angles P-C4'-P energy: -69.209
tors. eta vs tors. theta energy: -52.698
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: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -774.491688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.491688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.491688 (E_RNA)
where:
Base-Base interactions energy: -398.732
where: short stacking energy: -226.335
Base-Backbone interact. energy: -0.815
local terms energy: -374.944073
where:
bonds (distance) C4'-P energy: -113.906
bonds (distance) P-C4' energy: -112.856
flat angles C4'-P-C4' energy: -81.070
flat angles P-C4'-P energy: -57.333
tors. eta vs tors. theta energy: -9.779
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: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2680.349343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.349343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.349343 (E_RNA)
where:
Base-Base interactions energy: -1869.909
where: short stacking energy: -815.039
Base-Backbone interact. energy: -0.752
local terms energy: -809.688305
where:
bonds (distance) C4'-P energy: -143.848
bonds (distance) P-C4' energy: -153.206
flat angles C4'-P-C4' energy: -164.312
flat angles P-C4'-P energy: -102.500
tors. eta vs tors. theta energy: -245.824
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: 498
Temperature: 0.950000
Total energy: -2631.500995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.500995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.500995 (E_RNA)
where:
Base-Base interactions energy: -1827.371
where: short stacking energy: -789.698
Base-Backbone interact. energy: -5.932
local terms energy: -798.198324
where:
bonds (distance) C4'-P energy: -142.323
bonds (distance) P-C4' energy: -151.736
flat angles C4'-P-C4' energy: -168.267
flat angles P-C4'-P energy: -113.603
tors. eta vs tors. theta energy: -222.270
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: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2521.217719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.217719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.217719 (E_RNA)
where:
Base-Base interactions energy: -1783.485
where: short stacking energy: -746.590
Base-Backbone interact. energy: -1.925
local terms energy: -735.808589
where:
bonds (distance) C4'-P energy: -124.607
bonds (distance) P-C4' energy: -132.794
flat angles C4'-P-C4' energy: -150.229
flat angles P-C4'-P energy: -105.220
tors. eta vs tors. theta energy: -222.959
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: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2359.736431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.736431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.736431 (E_RNA)
where:
Base-Base interactions energy: -1626.604
where: short stacking energy: -719.724
Base-Backbone interact. energy: -4.120
local terms energy: -729.012632
where:
bonds (distance) C4'-P energy: -125.506
bonds (distance) P-C4' energy: -126.241
flat angles C4'-P-C4' energy: -161.489
flat angles P-C4'-P energy: -108.094
tors. eta vs tors. theta energy: -207.684
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: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2170.561111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.561111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.561111 (E_RNA)
where:
Base-Base interactions energy: -1489.289
where: short stacking energy: -636.501
Base-Backbone interact. energy: -1.369
local terms energy: -679.903856
where:
bonds (distance) C4'-P energy: -133.147
bonds (distance) P-C4' energy: -122.363
flat angles C4'-P-C4' energy: -147.436
flat angles P-C4'-P energy: -101.202
tors. eta vs tors. theta energy: -175.755
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: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2072.408290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.408290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.408290 (E_RNA)
where:
Base-Base interactions energy: -1392.309
where: short stacking energy: -605.346
Base-Backbone interact. energy: -2.020
local terms energy: -678.079298
where:
bonds (distance) C4'-P energy: -134.603
bonds (distance) P-C4' energy: -135.371
flat angles C4'-P-C4' energy: -142.080
flat angles P-C4'-P energy: -95.922
tors. eta vs tors. theta energy: -170.104
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: 498
Temperature: 1.200000
Total energy: -1733.852448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.852448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.852448 (E_RNA)
where:
Base-Base interactions energy: -1112.384
where: short stacking energy: -500.029
Base-Backbone interact. energy: -2.298
local terms energy: -619.170554
where:
bonds (distance) C4'-P energy: -123.612
bonds (distance) P-C4' energy: -136.229
flat angles C4'-P-C4' energy: -123.919
flat angles P-C4'-P energy: -103.974
tors. eta vs tors. theta energy: -131.436
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: 498
Temperature: 1.250000
Total energy: -1495.939866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.939866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.939866 (E_RNA)
where:
Base-Base interactions energy: -996.658
where: short stacking energy: -451.842
Base-Backbone interact. energy: 6.262
local terms energy: -505.544127
where:
bonds (distance) C4'-P energy: -107.235
bonds (distance) P-C4' energy: -119.445
flat angles C4'-P-C4' energy: -120.943
flat angles P-C4'-P energy: -76.853
tors. eta vs tors. theta energy: -81.068
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: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1114.860893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.860893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.860893 (E_RNA)
where:
Base-Base interactions energy: -630.262
where: short stacking energy: -303.426
Base-Backbone interact. energy: -2.586
local terms energy: -482.012660
where:
bonds (distance) C4'-P energy: -120.549
bonds (distance) P-C4' energy: -131.716
flat angles C4'-P-C4' energy: -103.769
flat angles P-C4'-P energy: -71.316
tors. eta vs tors. theta energy: -54.663
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: 10, replica: 2
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -779.480798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.480798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.480798 (E_RNA)
where:
Base-Base interactions energy: -383.174
where: short stacking energy: -207.251
Base-Backbone interact. energy: -2.362
local terms energy: -393.944953
where:
bonds (distance) C4'-P energy: -120.041
bonds (distance) P-C4' energy: -117.717
flat angles C4'-P-C4' energy: -90.202
flat angles P-C4'-P energy: -77.174
tors. eta vs tors. theta energy: 11.190
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: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2680.421823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.421823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.421823 (E_RNA)
where:
Base-Base interactions energy: -1847.324
where: short stacking energy: -812.839
Base-Backbone interact. energy: -2.003
local terms energy: -831.094273
where:
bonds (distance) C4'-P energy: -133.518
bonds (distance) P-C4' energy: -155.852
flat angles C4'-P-C4' energy: -173.478
flat angles P-C4'-P energy: -120.328
tors. eta vs tors. theta energy: -247.918
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: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2584.998118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.998118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.998118 (E_RNA)
where:
Base-Base interactions energy: -1797.551
where: short stacking energy: -788.308
Base-Backbone interact. energy: -2.307
local terms energy: -785.139902
where:
bonds (distance) C4'-P energy: -138.920
bonds (distance) P-C4' energy: -140.611
flat angles C4'-P-C4' energy: -160.355
flat angles P-C4'-P energy: -116.165
tors. eta vs tors. theta energy: -229.090
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: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2507.364138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.364138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.364138 (E_RNA)
where:
Base-Base interactions energy: -1758.712
where: short stacking energy: -697.955
Base-Backbone interact. energy: -4.198
local terms energy: -744.454067
where:
bonds (distance) C4'-P energy: -132.737
bonds (distance) P-C4' energy: -145.262
flat angles C4'-P-C4' energy: -155.456
flat angles P-C4'-P energy: -108.649
tors. eta vs tors. theta energy: -202.350
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: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2386.886124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.886124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.886124 (E_RNA)
where:
Base-Base interactions energy: -1661.380
where: short stacking energy: -713.434
Base-Backbone interact. energy: -0.431
local terms energy: -725.075476
where:
bonds (distance) C4'-P energy: -134.881
bonds (distance) P-C4' energy: -129.210
flat angles C4'-P-C4' energy: -154.655
flat angles P-C4'-P energy: -103.444
tors. eta vs tors. theta energy: -202.886
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: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2190.796571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.796571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.796571 (E_RNA)
where:
Base-Base interactions energy: -1523.732
where: short stacking energy: -638.636
Base-Backbone interact. energy: 0.446
local terms energy: -667.510426
where:
bonds (distance) C4'-P energy: -134.694
bonds (distance) P-C4' energy: -113.661
flat angles C4'-P-C4' energy: -153.874
flat angles P-C4'-P energy: -101.358
tors. eta vs tors. theta energy: -163.923
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: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -2059.552456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.552456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.552456 (E_RNA)
where:
Base-Base interactions energy: -1406.681
where: short stacking energy: -580.597
Base-Backbone interact. energy: 3.287
local terms energy: -656.158539
where:
bonds (distance) C4'-P energy: -122.422
bonds (distance) P-C4' energy: -142.799
flat angles C4'-P-C4' energy: -138.221
flat angles P-C4'-P energy: -86.081
tors. eta vs tors. theta energy: -166.634
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: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1724.414651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.414651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.414651 (E_RNA)
where:
Base-Base interactions energy: -1117.447
where: short stacking energy: -498.343
Base-Backbone interact. energy: -0.465
local terms energy: -606.502849
where:
bonds (distance) C4'-P energy: -121.504
bonds (distance) P-C4' energy: -127.381
flat angles C4'-P-C4' energy: -139.422
flat angles P-C4'-P energy: -91.839
tors. eta vs tors. theta energy: -126.356
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: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1389.427234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.427234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.427234 (E_RNA)
where:
Base-Base interactions energy: -842.276
where: short stacking energy: -397.615
Base-Backbone interact. energy: 2.872
local terms energy: -550.023459
where:
bonds (distance) C4'-P energy: -132.903
bonds (distance) P-C4' energy: -126.507
flat angles C4'-P-C4' energy: -125.555
flat angles P-C4'-P energy: -85.939
tors. eta vs tors. theta energy: -79.119
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: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1074.975399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.975399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.975399 (E_RNA)
where:
Base-Base interactions energy: -630.548
where: short stacking energy: -295.157
Base-Backbone interact. energy: -0.061
local terms energy: -444.366872
where:
bonds (distance) C4'-P energy: -109.944
bonds (distance) P-C4' energy: -113.110
flat angles C4'-P-C4' energy: -117.505
flat angles P-C4'-P energy: -73.067
tors. eta vs tors. theta energy: -30.740
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: 10, replica: 2
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -732.864831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.864831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.864831 (E_RNA)
where:
Base-Base interactions energy: -329.514
where: short stacking energy: -170.786
Base-Backbone interact. energy: -1.609
local terms energy: -401.742148
where:
bonds (distance) C4'-P energy: -114.465
bonds (distance) P-C4' energy: -128.958
flat angles C4'-P-C4' energy: -125.310
flat angles P-C4'-P energy: -63.078
tors. eta vs tors. theta energy: 30.070
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: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2669.845771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.845771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.845771 (E_RNA)
where:
Base-Base interactions energy: -1855.071
where: short stacking energy: -812.603
Base-Backbone interact. energy: -2.505
local terms energy: -812.269734
where:
bonds (distance) C4'-P energy: -148.088
bonds (distance) P-C4' energy: -124.146
flat angles C4'-P-C4' energy: -178.209
flat angles P-C4'-P energy: -112.741
tors. eta vs tors. theta energy: -249.086
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: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2603.841936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.841936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.841936 (E_RNA)
where:
Base-Base interactions energy: -1816.398
where: short stacking energy: -778.355
Base-Backbone interact. energy: -4.156
local terms energy: -783.288412
where:
bonds (distance) C4'-P energy: -133.310
bonds (distance) P-C4' energy: -141.087
flat angles C4'-P-C4' energy: -163.878
flat angles P-C4'-P energy: -123.331
tors. eta vs tors. theta energy: -221.683
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: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2521.861702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.861702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.861702 (E_RNA)
where:
Base-Base interactions energy: -1763.236
where: short stacking energy: -715.899
Base-Backbone interact. energy: -3.065
local terms energy: -755.561027
where:
bonds (distance) C4'-P energy: -132.542
bonds (distance) P-C4' energy: -151.034
flat angles C4'-P-C4' energy: -168.561
flat angles P-C4'-P energy: -105.488
tors. eta vs tors. theta energy: -197.937
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: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2398.034616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.034616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.034616 (E_RNA)
where:
Base-Base interactions energy: -1646.497
where: short stacking energy: -741.811
Base-Backbone interact. energy: 0.188
local terms energy: -751.725469
where:
bonds (distance) C4'-P energy: -139.960
bonds (distance) P-C4' energy: -141.036
flat angles C4'-P-C4' energy: -160.073
flat angles P-C4'-P energy: -104.969
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: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2204.888393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.888393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.888393 (E_RNA)
where:
Base-Base interactions energy: -1532.435
where: short stacking energy: -612.825
Base-Backbone interact. energy: -0.724
local terms energy: -671.729272
where:
bonds (distance) C4'-P energy: -117.250
bonds (distance) P-C4' energy: -139.057
flat angles C4'-P-C4' energy: -158.076
flat angles P-C4'-P energy: -101.129
tors. eta vs tors. theta energy: -156.217
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: 10
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2086.339525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.339525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.339525 (E_RNA)
where:
Base-Base interactions energy: -1420.932
where: short stacking energy: -600.203
Base-Backbone interact. energy: -1.623
local terms energy: -663.784520
where:
bonds (distance) C4'-P energy: -122.931
bonds (distance) P-C4' energy: -133.727
flat angles C4'-P-C4' energy: -158.340
flat angles P-C4'-P energy: -85.332
tors. eta vs tors. theta energy: -163.455
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: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1732.664436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.664436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.664436 (E_RNA)
where:
Base-Base interactions energy: -1135.623
where: short stacking energy: -506.171
Base-Backbone interact. energy: 2.044
local terms energy: -599.085567
where:
bonds (distance) C4'-P energy: -109.579
bonds (distance) P-C4' energy: -130.114
flat angles C4'-P-C4' energy: -150.932
flat angles P-C4'-P energy: -80.898
tors. eta vs tors. theta energy: -127.563
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: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1408.088790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.088790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.088790 (E_RNA)
where:
Base-Base interactions energy: -871.329
where: short stacking energy: -394.461
Base-Backbone interact. energy: -4.484
local terms energy: -532.276541
where:
bonds (distance) C4'-P energy: -125.618
bonds (distance) P-C4' energy: -143.371
flat angles C4'-P-C4' energy: -135.386
flat angles P-C4'-P energy: -61.609
tors. eta vs tors. theta energy: -66.294
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: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1048.239803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.239803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.239803 (E_RNA)
where:
Base-Base interactions energy: -580.360
where: short stacking energy: -303.852
Base-Backbone interact. energy: 2.127
local terms energy: -470.005908
where:
bonds (distance) C4'-P energy: -136.096
bonds (distance) P-C4' energy: -128.182
flat angles C4'-P-C4' energy: -119.440
flat angles P-C4'-P energy: -62.543
tors. eta vs tors. theta energy: -23.745
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: 10, replica: 2
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -733.886508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.886508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.886508 (E_RNA)
where:
Base-Base interactions energy: -367.574
where: short stacking energy: -232.541
Base-Backbone interact. energy: -2.254
local terms energy: -364.058782
where:
bonds (distance) C4'-P energy: -106.654
bonds (distance) P-C4' energy: -131.191
flat angles C4'-P-C4' energy: -98.735
flat angles P-C4'-P energy: -40.496
tors. eta vs tors. theta energy: 13.016
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: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2704.853398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.853398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.853398 (E_RNA)
where:
Base-Base interactions energy: -1864.779
where: short stacking energy: -816.330
Base-Backbone interact. energy: -4.319
local terms energy: -835.755450
where:
bonds (distance) C4'-P energy: -144.605
bonds (distance) P-C4' energy: -150.727
flat angles C4'-P-C4' energy: -172.225
flat angles P-C4'-P energy: -121.772
tors. eta vs tors. theta energy: -246.427
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: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2610.350581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.350581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.350581 (E_RNA)
where:
Base-Base interactions energy: -1824.242
where: short stacking energy: -781.111
Base-Backbone interact. energy: -3.721
local terms energy: -782.387085
where:
bonds (distance) C4'-P energy: -126.968
bonds (distance) P-C4' energy: -146.367
flat angles C4'-P-C4' energy: -174.519
flat angles P-C4'-P energy: -107.491
tors. eta vs tors. theta energy: -227.042
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: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2493.228114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.228114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.228114 (E_RNA)
where:
Base-Base interactions energy: -1764.121
where: short stacking energy: -719.912
Base-Backbone interact. energy: 2.845
local terms energy: -731.952233
where:
bonds (distance) C4'-P energy: -121.124
bonds (distance) P-C4' energy: -143.571
flat angles C4'-P-C4' energy: -165.821
flat angles P-C4'-P energy: -94.447
tors. eta vs tors. theta energy: -206.989
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: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2390.624564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.624564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.624564 (E_RNA)
where:
Base-Base interactions energy: -1631.858
where: short stacking energy: -714.367
Base-Backbone interact. energy: -4.709
local terms energy: -754.057598
where:
bonds (distance) C4'-P energy: -136.423
bonds (distance) P-C4' energy: -133.015
flat angles C4'-P-C4' energy: -163.540
flat angles P-C4'-P energy: -106.615
tors. eta vs tors. theta energy: -214.464
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: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -2243.386241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.386241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.386241 (E_RNA)
where:
Base-Base interactions energy: -1569.810
where: short stacking energy: -661.673
Base-Backbone interact. energy: 0.885
local terms energy: -674.460949
where:
bonds (distance) C4'-P energy: -129.642
bonds (distance) P-C4' energy: -104.437
flat angles C4'-P-C4' energy: -150.354
flat angles P-C4'-P energy: -109.524
tors. eta vs tors. theta energy: -180.504
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: 10
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -2125.162587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.162587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.162587 (E_RNA)
where:
Base-Base interactions energy: -1471.547
where: short stacking energy: -628.735
Base-Backbone interact. energy: -2.172
local terms energy: -651.443537
where:
bonds (distance) C4'-P energy: -116.498
bonds (distance) P-C4' energy: -119.781
flat angles C4'-P-C4' energy: -145.168
flat angles P-C4'-P energy: -81.857
tors. eta vs tors. theta energy: -188.140
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: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1745.221924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.221924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.221924 (E_RNA)
where:
Base-Base interactions energy: -1160.956
where: short stacking energy: -527.282
Base-Backbone interact. energy: -0.035
local terms energy: -584.230250
where:
bonds (distance) C4'-P energy: -111.177
bonds (distance) P-C4' energy: -124.652
flat angles C4'-P-C4' energy: -141.583
flat angles P-C4'-P energy: -83.003
tors. eta vs tors. theta energy: -123.815
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: 501
Temperature: 1.250000
Total energy: -1296.584570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.584570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.584570 (E_RNA)
where:
Base-Base interactions energy: -805.845
where: short stacking energy: -380.351
Base-Backbone interact. energy: 3.688
local terms energy: -494.427544
where:
bonds (distance) C4'-P energy: -96.626
bonds (distance) P-C4' energy: -129.459
flat angles C4'-P-C4' energy: -121.216
flat angles P-C4'-P energy: -72.853
tors. eta vs tors. theta energy: -74.274
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: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1022.127048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.127048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.127048 (E_RNA)
where:
Base-Base interactions energy: -589.173
where: short stacking energy: -275.180
Base-Backbone interact. energy: 1.331
local terms energy: -434.285082
where:
bonds (distance) C4'-P energy: -115.095
bonds (distance) P-C4' energy: -118.279
flat angles C4'-P-C4' energy: -106.305
flat angles P-C4'-P energy: -74.266
tors. eta vs tors. theta energy: -20.340
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: 2
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -795.472816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.472816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.472816 (E_RNA)
where:
Base-Base interactions energy: -375.524
where: short stacking energy: -239.533
Base-Backbone interact. energy: -2.501
local terms energy: -417.448650
where:
bonds (distance) C4'-P energy: -132.076
bonds (distance) P-C4' energy: -117.820
flat angles C4'-P-C4' energy: -120.140
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -3.705
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)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 146243761
moves confirmed later: 166288792
all moves confirmed: 312532553
percent of confirmed moves: 39.066569
current total energy: -2605.035913
recalc. total energy: -2605.035913
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 167220252
moves confirmed later: 193894582
all moves confirmed: 361114834
percent of confirmed moves: 45.139354
current total energy: -2459.363819
recalc. total energy: -2459.363819
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 113221871
moves confirmed later: 123132281
all moves confirmed: 236354152
percent of confirmed moves: 29.544269
current total energy: -2403.064122
recalc. total energy: -2403.064122
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 135669657
moves confirmed later: 152075969
all moves confirmed: 287745626
percent of confirmed moves: 35.968203
current total energy: -2277.614249
recalc. total energy: -2277.614249
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 157544693
moves confirmed later: 180549651
all moves confirmed: 338094344
percent of confirmed moves: 42.261793
current total energy: -2020.071836
recalc. total energy: -2020.071836
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 130941644
moves confirmed later: 145723647
all moves confirmed: 276665291
percent of confirmed moves: 34.583161
current total energy: -2104.499606
recalc. total energy: -2104.499606
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 227648973
moves confirmed later: 271855090
all moves confirmed: 499504063
percent of confirmed moves: 62.438008
current total energy: -1521.262667
recalc. total energy: -1521.262667
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 142625305
moves confirmed later: 160620469
all moves confirmed: 303245774
percent of confirmed moves: 37.905722
current total energy: -1138.979174
recalc. total energy: -1138.979174
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 258284456
moves confirmed later: 312508612
all moves confirmed: 570793068
percent of confirmed moves: 71.349133
current total energy: -934.932578
recalc. total energy: -934.932578
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 181559607
moves confirmed later: 212159638
all moves confirmed: 393719245
percent of confirmed moves: 49.214906
current total energy: -533.959322
recalc. total energy: -533.959322
out arg RESULTS//1/SNord17-2-932ba946_01
Time of doing 8000000 iterations: 48285.111 seconds