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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
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/SimRNA-Snord17-e5fade23/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SimRNA-Snord17-e5fade23/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 = 1600000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1208.863330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.863330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.863330 (E_RNA)
where:
Base-Base interactions energy: -500.984
where: short stacking energy: -498.486
Base-Backbone interact. energy: -0.048
local terms energy: -707.831943
where:
bonds (distance) C4'-P energy: -158.121
bonds (distance) P-C4' energy: -158.341
flat angles C4'-P-C4' energy: -163.357
flat angles P-C4'-P energy: -94.814
tors. eta vs tors. theta energy: -133.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1086.234550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.234550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.234550 (E_RNA)
where:
Base-Base interactions energy: -431.386
where: short stacking energy: -428.313
Base-Backbone interact. energy: -0.552
local terms energy: -654.296198
where:
bonds (distance) C4'-P energy: -142.149
bonds (distance) P-C4' energy: -152.712
flat angles C4'-P-C4' energy: -156.555
flat angles P-C4'-P energy: -97.695
tors. eta vs tors. theta energy: -105.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1030.337080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.337080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.337080 (E_RNA)
where:
Base-Base interactions energy: -393.385
where: short stacking energy: -388.226
Base-Backbone interact. energy: -0.179
local terms energy: -636.772962
where:
bonds (distance) C4'-P energy: -147.983
bonds (distance) P-C4' energy: -142.023
flat angles C4'-P-C4' energy: -136.309
flat angles P-C4'-P energy: -95.583
tors. eta vs tors. theta energy: -114.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -968.679239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.679239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.679239 (E_RNA)
where:
Base-Base interactions energy: -83.905
where: short stacking energy: -83.905
Base-Backbone interact. energy: -0.000
local terms energy: -884.773669
where:
bonds (distance) C4'-P energy: -208.795
bonds (distance) P-C4' energy: -186.562
flat angles C4'-P-C4' energy: -180.383
flat angles P-C4'-P energy: -193.720
tors. eta vs tors. theta energy: -115.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -958.731150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.731150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.731150 (E_RNA)
where:
Base-Base interactions energy: -32.803
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.000
local terms energy: -925.928227
where:
bonds (distance) C4'-P energy: -231.120
bonds (distance) P-C4' energy: -213.815
flat angles C4'-P-C4' energy: -174.449
flat angles P-C4'-P energy: -199.816
tors. eta vs tors. theta energy: -106.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -957.188645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.188645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.188645 (E_RNA)
where:
Base-Base interactions energy: -34.859
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.000
local terms energy: -922.329210
where:
bonds (distance) C4'-P energy: -230.266
bonds (distance) P-C4' energy: -211.073
flat angles C4'-P-C4' energy: -174.507
flat angles P-C4'-P energy: -199.505
tors. eta vs tors. theta energy: -106.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -960.224788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.224788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.224788 (E_RNA)
where:
Base-Base interactions energy: -95.648
where: short stacking energy: -95.648
Base-Backbone interact. energy: -0.000
local terms energy: -864.576915
where:
bonds (distance) C4'-P energy: -197.244
bonds (distance) P-C4' energy: -179.071
flat angles C4'-P-C4' energy: -183.380
flat angles P-C4'-P energy: -190.259
tors. eta vs tors. theta energy: -114.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -956.684300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.684300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.684300 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -36.369
Base-Backbone interact. energy: -0.000
local terms energy: -920.314847
where:
bonds (distance) C4'-P energy: -229.178
bonds (distance) P-C4' energy: -210.818
flat angles C4'-P-C4' energy: -173.881
flat angles P-C4'-P energy: -199.457
tors. eta vs tors. theta energy: -106.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -957.088875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.088875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.088875 (E_RNA)
where:
Base-Base interactions energy: -36.880
where: short stacking energy: -36.880
Base-Backbone interact. energy: -0.000
local terms energy: -920.208645
where:
bonds (distance) C4'-P energy: -228.946
bonds (distance) P-C4' energy: -210.579
flat angles C4'-P-C4' energy: -173.686
flat angles P-C4'-P energy: -199.412
tors. eta vs tors. theta energy: -107.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -956.512388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.512388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.512388 (E_RNA)
where:
Base-Base interactions energy: -37.249
where: short stacking energy: -37.249
Base-Backbone interact. energy: -0.000
local terms energy: -919.262804
where:
bonds (distance) C4'-P energy: -229.062
bonds (distance) P-C4' energy: -210.812
flat angles C4'-P-C4' energy: -172.812
flat angles P-C4'-P energy: -199.420
tors. eta vs tors. theta energy: -107.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1207.305823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.305823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.305823 (E_RNA)
where:
Base-Base interactions energy: -508.643
where: short stacking energy: -502.540
Base-Backbone interact. energy: 0.102
local terms energy: -698.764777
where:
bonds (distance) C4'-P energy: -159.426
bonds (distance) P-C4' energy: -155.750
flat angles C4'-P-C4' energy: -149.722
flat angles P-C4'-P energy: -101.867
tors. eta vs tors. theta energy: -132.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1187.120208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.120208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.120208 (E_RNA)
where:
Base-Base interactions energy: -517.874
where: short stacking energy: -515.044
Base-Backbone interact. energy: 1.003
local terms energy: -670.249633
where:
bonds (distance) C4'-P energy: -145.497
bonds (distance) P-C4' energy: -137.726
flat angles C4'-P-C4' energy: -157.745
flat angles P-C4'-P energy: -97.185
tors. eta vs tors. theta energy: -132.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1049.950969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.950969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.950969 (E_RNA)
where:
Base-Base interactions energy: -453.563
where: short stacking energy: -429.377
Base-Backbone interact. energy: 1.163
local terms energy: -597.550271
where:
bonds (distance) C4'-P energy: -148.511
bonds (distance) P-C4' energy: -140.187
flat angles C4'-P-C4' energy: -145.566
flat angles P-C4'-P energy: -84.929
tors. eta vs tors. theta energy: -78.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -980.137974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.137974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.137974 (E_RNA)
where:
Base-Base interactions energy: -396.382
where: short stacking energy: -394.153
Base-Backbone interact. energy: 3.259
local terms energy: -587.015238
where:
bonds (distance) C4'-P energy: -135.486
bonds (distance) P-C4' energy: -142.141
flat angles C4'-P-C4' energy: -135.788
flat angles P-C4'-P energy: -94.559
tors. eta vs tors. theta energy: -79.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -874.627988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.627988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.627988 (E_RNA)
where:
Base-Base interactions energy: -362.285
where: short stacking energy: -330.471
Base-Backbone interact. energy: 0.354
local terms energy: -512.697057
where:
bonds (distance) C4'-P energy: -132.911
bonds (distance) P-C4' energy: -148.391
flat angles C4'-P-C4' energy: -112.405
flat angles P-C4'-P energy: -78.919
tors. eta vs tors. theta energy: -40.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -807.879325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.879325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.879325 (E_RNA)
where:
Base-Base interactions energy: -282.431
where: short stacking energy: -280.931
Base-Backbone interact. energy: -1.056
local terms energy: -524.392019
where:
bonds (distance) C4'-P energy: -139.482
bonds (distance) P-C4' energy: -127.732
flat angles C4'-P-C4' energy: -135.230
flat angles P-C4'-P energy: -82.873
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -721.752211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.752211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.752211 (E_RNA)
where:
Base-Base interactions energy: -236.193
where: short stacking energy: -231.124
Base-Backbone interact. energy: -1.606
local terms energy: -483.952242
where:
bonds (distance) C4'-P energy: -121.606
bonds (distance) P-C4' energy: -137.952
flat angles C4'-P-C4' energy: -124.754
flat angles P-C4'-P energy: -76.302
tors. eta vs tors. theta energy: -23.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -683.687935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.687935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.687935 (E_RNA)
where:
Base-Base interactions energy: -236.819
where: short stacking energy: -223.332
Base-Backbone interact. energy: -2.111
local terms energy: -444.758645
where:
bonds (distance) C4'-P energy: -119.577
bonds (distance) P-C4' energy: -136.948
flat angles C4'-P-C4' energy: -102.118
flat angles P-C4'-P energy: -70.086
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -632.689409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.689409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.689409 (E_RNA)
where:
Base-Base interactions energy: -241.616
where: short stacking energy: -217.056
Base-Backbone interact. energy: 3.875
local terms energy: -394.948201
where:
bonds (distance) C4'-P energy: -109.497
bonds (distance) P-C4' energy: -108.097
flat angles C4'-P-C4' energy: -103.603
flat angles P-C4'-P energy: -69.775
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -570.508752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.508752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.508752 (E_RNA)
where:
Base-Base interactions energy: -192.131
where: short stacking energy: -174.023
Base-Backbone interact. energy: 1.358
local terms energy: -379.736339
where:
bonds (distance) C4'-P energy: -119.890
bonds (distance) P-C4' energy: -106.622
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -49.824
tors. eta vs tors. theta energy: 16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1202.221519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.221519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.221519 (E_RNA)
where:
Base-Base interactions energy: -533.573
where: short stacking energy: -523.525
Base-Backbone interact. energy: -1.108
local terms energy: -667.540075
where:
bonds (distance) C4'-P energy: -142.153
bonds (distance) P-C4' energy: -151.627
flat angles C4'-P-C4' energy: -160.725
flat angles P-C4'-P energy: -83.024
tors. eta vs tors. theta energy: -130.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1139.892055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.892055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.892055 (E_RNA)
where:
Base-Base interactions energy: -477.488
where: short stacking energy: -468.964
Base-Backbone interact. energy: 1.545
local terms energy: -663.948970
where:
bonds (distance) C4'-P energy: -144.273
bonds (distance) P-C4' energy: -161.105
flat angles C4'-P-C4' energy: -141.839
flat angles P-C4'-P energy: -96.619
tors. eta vs tors. theta energy: -120.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1024.106278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.106278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.106278 (E_RNA)
where:
Base-Base interactions energy: -426.865
where: short stacking energy: -403.664
Base-Backbone interact. energy: -1.681
local terms energy: -595.560236
where:
bonds (distance) C4'-P energy: -148.959
bonds (distance) P-C4' energy: -137.734
flat angles C4'-P-C4' energy: -140.300
flat angles P-C4'-P energy: -92.289
tors. eta vs tors. theta energy: -76.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -978.173702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.173702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.173702 (E_RNA)
where:
Base-Base interactions energy: -407.872
where: short stacking energy: -376.491
Base-Backbone interact. energy: 0.530
local terms energy: -570.831671
where:
bonds (distance) C4'-P energy: -140.126
bonds (distance) P-C4' energy: -134.958
flat angles C4'-P-C4' energy: -135.205
flat angles P-C4'-P energy: -86.350
tors. eta vs tors. theta energy: -74.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -943.710869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.710869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.710869 (E_RNA)
where:
Base-Base interactions energy: -423.048
where: short stacking energy: -302.539
Base-Backbone interact. energy: -1.118
local terms energy: -519.544860
where:
bonds (distance) C4'-P energy: -136.828
bonds (distance) P-C4' energy: -141.424
flat angles C4'-P-C4' energy: -115.117
flat angles P-C4'-P energy: -86.161
tors. eta vs tors. theta energy: -40.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -799.832329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.832329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.832329 (E_RNA)
where:
Base-Base interactions energy: -291.140
where: short stacking energy: -253.922
Base-Backbone interact. energy: -1.442
local terms energy: -507.249658
where:
bonds (distance) C4'-P energy: -129.876
bonds (distance) P-C4' energy: -137.064
flat angles C4'-P-C4' energy: -126.510
flat angles P-C4'-P energy: -78.843
tors. eta vs tors. theta energy: -34.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -726.075932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.075932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.075932 (E_RNA)
where:
Base-Base interactions energy: -259.083
where: short stacking energy: -251.884
Base-Backbone interact. energy: -1.256
local terms energy: -465.737135
where:
bonds (distance) C4'-P energy: -126.713
bonds (distance) P-C4' energy: -145.201
flat angles C4'-P-C4' energy: -126.451
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -671.950323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.950323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.950323 (E_RNA)
where:
Base-Base interactions energy: -239.946
where: short stacking energy: -203.034
Base-Backbone interact. energy: -0.417
local terms energy: -431.587396
where:
bonds (distance) C4'-P energy: -125.147
bonds (distance) P-C4' energy: -125.368
flat angles C4'-P-C4' energy: -115.352
flat angles P-C4'-P energy: -56.004
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -640.860320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.860320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.860320 (E_RNA)
where:
Base-Base interactions energy: -235.427
where: short stacking energy: -218.242
Base-Backbone interact. energy: -1.807
local terms energy: -403.625953
where:
bonds (distance) C4'-P energy: -95.948
bonds (distance) P-C4' energy: -134.753
flat angles C4'-P-C4' energy: -112.767
flat angles P-C4'-P energy: -69.011
tors. eta vs tors. theta energy: 8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -553.799927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.799927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.799927 (E_RNA)
where:
Base-Base interactions energy: -196.683
where: short stacking energy: -181.943
Base-Backbone interact. energy: 3.135
local terms energy: -360.252199
where:
bonds (distance) C4'-P energy: -116.773
bonds (distance) P-C4' energy: -142.037
flat angles C4'-P-C4' energy: -84.844
flat angles P-C4'-P energy: -27.575
tors. eta vs tors. theta energy: 10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1263.200856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.200856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.200856 (E_RNA)
where:
Base-Base interactions energy: -564.000
where: short stacking energy: -552.908
Base-Backbone interact. energy: -0.153
local terms energy: -699.048100
where:
bonds (distance) C4'-P energy: -143.751
bonds (distance) P-C4' energy: -138.859
flat angles C4'-P-C4' energy: -157.464
flat angles P-C4'-P energy: -122.060
tors. eta vs tors. theta energy: -136.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1179.975123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.975123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.975123 (E_RNA)
where:
Base-Base interactions energy: -499.363
where: short stacking energy: -481.423
Base-Backbone interact. energy: -1.121
local terms energy: -679.490639
where:
bonds (distance) C4'-P energy: -147.303
bonds (distance) P-C4' energy: -152.454
flat angles C4'-P-C4' energy: -163.813
flat angles P-C4'-P energy: -91.137
tors. eta vs tors. theta energy: -124.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1080.267129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.267129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.267129 (E_RNA)
where:
Base-Base interactions energy: -516.766
where: short stacking energy: -422.984
Base-Backbone interact. energy: -2.368
local terms energy: -561.133309
where:
bonds (distance) C4'-P energy: -125.164
bonds (distance) P-C4' energy: -134.121
flat angles C4'-P-C4' energy: -140.137
flat angles P-C4'-P energy: -89.544
tors. eta vs tors. theta energy: -72.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -987.138133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.138133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.138133 (E_RNA)
where:
Base-Base interactions energy: -449.967
where: short stacking energy: -423.416
Base-Backbone interact. energy: -1.178
local terms energy: -535.993225
where:
bonds (distance) C4'-P energy: -135.888
bonds (distance) P-C4' energy: -133.643
flat angles C4'-P-C4' energy: -122.856
flat angles P-C4'-P energy: -77.667
tors. eta vs tors. theta energy: -65.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1002.260316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.260316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.260316 (E_RNA)
where:
Base-Base interactions energy: -483.667
where: short stacking energy: -357.669
Base-Backbone interact. energy: -2.514
local terms energy: -516.079615
where:
bonds (distance) C4'-P energy: -129.359
bonds (distance) P-C4' energy: -118.268
flat angles C4'-P-C4' energy: -123.738
flat angles P-C4'-P energy: -79.494
tors. eta vs tors. theta energy: -65.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -837.079726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.079726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.079726 (E_RNA)
where:
Base-Base interactions energy: -322.592
where: short stacking energy: -283.798
Base-Backbone interact. energy: -2.224
local terms energy: -512.263846
where:
bonds (distance) C4'-P energy: -144.278
bonds (distance) P-C4' energy: -147.302
flat angles C4'-P-C4' energy: -127.415
flat angles P-C4'-P energy: -68.301
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -746.834972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.834972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.834972 (E_RNA)
where:
Base-Base interactions energy: -296.504
where: short stacking energy: -231.987
Base-Backbone interact. energy: 1.036
local terms energy: -451.367830
where:
bonds (distance) C4'-P energy: -124.789
bonds (distance) P-C4' energy: -137.393
flat angles C4'-P-C4' energy: -116.714
flat angles P-C4'-P energy: -66.586
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -678.178527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.178527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.178527 (E_RNA)
where:
Base-Base interactions energy: -241.435
where: short stacking energy: -197.343
Base-Backbone interact. energy: 4.753
local terms energy: -441.496974
where:
bonds (distance) C4'-P energy: -122.325
bonds (distance) P-C4' energy: -130.782
flat angles C4'-P-C4' energy: -120.298
flat angles P-C4'-P energy: -73.607
tors. eta vs tors. theta energy: 5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -621.958267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.958267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.958267 (E_RNA)
where:
Base-Base interactions energy: -214.425
where: short stacking energy: -172.392
Base-Backbone interact. energy: 6.734
local terms energy: -414.267007
where:
bonds (distance) C4'-P energy: -107.078
bonds (distance) P-C4' energy: -138.539
flat angles C4'-P-C4' energy: -118.706
flat angles P-C4'-P energy: -54.734
tors. eta vs tors. theta energy: 4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -611.844015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.844015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.844015 (E_RNA)
where:
Base-Base interactions energy: -222.421
where: short stacking energy: -182.952
Base-Backbone interact. energy: -3.133
local terms energy: -386.289278
where:
bonds (distance) C4'-P energy: -126.693
bonds (distance) P-C4' energy: -127.436
flat angles C4'-P-C4' energy: -101.472
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: 8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1319.601827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.601827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.601827 (E_RNA)
where:
Base-Base interactions energy: -617.145
where: short stacking energy: -570.740
Base-Backbone interact. energy: -1.294
local terms energy: -701.162533
where:
bonds (distance) C4'-P energy: -154.836
bonds (distance) P-C4' energy: -150.825
flat angles C4'-P-C4' energy: -148.627
flat angles P-C4'-P energy: -95.312
tors. eta vs tors. theta energy: -151.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1216.912550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.912550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.912550 (E_RNA)
where:
Base-Base interactions energy: -570.899
where: short stacking energy: -498.450
Base-Backbone interact. energy: 3.555
local terms energy: -649.568610
where:
bonds (distance) C4'-P energy: -148.401
bonds (distance) P-C4' energy: -149.725
flat angles C4'-P-C4' energy: -153.510
flat angles P-C4'-P energy: -80.270
tors. eta vs tors. theta energy: -117.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1132.557337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.557337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.557337 (E_RNA)
where:
Base-Base interactions energy: -518.916
where: short stacking energy: -401.525
Base-Backbone interact. energy: -1.863
local terms energy: -611.777971
where:
bonds (distance) C4'-P energy: -150.629
bonds (distance) P-C4' energy: -141.109
flat angles C4'-P-C4' energy: -139.437
flat angles P-C4'-P energy: -94.561
tors. eta vs tors. theta energy: -86.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1017.085925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.085925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.085925 (E_RNA)
where:
Base-Base interactions energy: -429.844
where: short stacking energy: -367.356
Base-Backbone interact. energy: -0.327
local terms energy: -586.915687
where:
bonds (distance) C4'-P energy: -129.303
bonds (distance) P-C4' energy: -152.512
flat angles C4'-P-C4' energy: -128.344
flat angles P-C4'-P energy: -109.979
tors. eta vs tors. theta energy: -66.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1157.850486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.850486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.850486 (E_RNA)
where:
Base-Base interactions energy: -617.394
where: short stacking energy: -369.819
Base-Backbone interact. energy: 3.418
local terms energy: -543.874391
where:
bonds (distance) C4'-P energy: -143.475
bonds (distance) P-C4' energy: -147.450
flat angles C4'-P-C4' energy: -114.396
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -68.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -847.498043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.498043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.498043 (E_RNA)
where:
Base-Base interactions energy: -363.609
where: short stacking energy: -288.621
Base-Backbone interact. energy: -3.127
local terms energy: -480.761798
where:
bonds (distance) C4'-P energy: -132.576
bonds (distance) P-C4' energy: -132.538
flat angles C4'-P-C4' energy: -124.210
flat angles P-C4'-P energy: -51.879
tors. eta vs tors. theta energy: -39.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -778.557466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.557466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.557466 (E_RNA)
where:
Base-Base interactions energy: -324.744
where: short stacking energy: -243.770
Base-Backbone interact. energy: -0.049
local terms energy: -453.765062
where:
bonds (distance) C4'-P energy: -132.569
bonds (distance) P-C4' energy: -128.019
flat angles C4'-P-C4' energy: -112.522
flat angles P-C4'-P energy: -70.184
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -667.236925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.236925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.236925 (E_RNA)
where:
Base-Base interactions energy: -254.571
where: short stacking energy: -225.071
Base-Backbone interact. energy: -2.601
local terms energy: -410.064205
where:
bonds (distance) C4'-P energy: -109.963
bonds (distance) P-C4' energy: -129.699
flat angles C4'-P-C4' energy: -111.136
flat angles P-C4'-P energy: -58.276
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -685.471659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.471659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.471659 (E_RNA)
where:
Base-Base interactions energy: -258.746
where: short stacking energy: -184.205
Base-Backbone interact. energy: 0.357
local terms energy: -427.082195
where:
bonds (distance) C4'-P energy: -128.515
bonds (distance) P-C4' energy: -119.211
flat angles C4'-P-C4' energy: -111.648
flat angles P-C4'-P energy: -70.834
tors. eta vs tors. theta energy: 3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -558.334984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.334984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.334984 (E_RNA)
where:
Base-Base interactions energy: -161.589
where: short stacking energy: -153.082
Base-Backbone interact. energy: -0.843
local terms energy: -395.903089
where:
bonds (distance) C4'-P energy: -124.032
bonds (distance) P-C4' energy: -126.424
flat angles C4'-P-C4' energy: -107.230
flat angles P-C4'-P energy: -66.923
tors. eta vs tors. theta energy: 28.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1332.182188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.182188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.182188 (E_RNA)
where:
Base-Base interactions energy: -635.157
where: short stacking energy: -553.054
Base-Backbone interact. energy: 0.146
local terms energy: -697.171693
where:
bonds (distance) C4'-P energy: -138.620
bonds (distance) P-C4' energy: -159.720
flat angles C4'-P-C4' energy: -155.464
flat angles P-C4'-P energy: -104.864
tors. eta vs tors. theta energy: -138.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1254.880817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.880817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.880817 (E_RNA)
where:
Base-Base interactions energy: -592.035
where: short stacking energy: -518.902
Base-Backbone interact. energy: -0.418
local terms energy: -662.427604
where:
bonds (distance) C4'-P energy: -140.076
bonds (distance) P-C4' energy: -137.654
flat angles C4'-P-C4' energy: -146.602
flat angles P-C4'-P energy: -94.541
tors. eta vs tors. theta energy: -143.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1186.759636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.759636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.759636 (E_RNA)
where:
Base-Base interactions energy: -538.101
where: short stacking energy: -422.490
Base-Backbone interact. energy: 0.380
local terms energy: -649.038555
where:
bonds (distance) C4'-P energy: -139.455
bonds (distance) P-C4' energy: -150.958
flat angles C4'-P-C4' energy: -157.127
flat angles P-C4'-P energy: -96.629
tors. eta vs tors. theta energy: -104.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1270.223021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.223021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.223021 (E_RNA)
where:
Base-Base interactions energy: -701.963
where: short stacking energy: -409.384
Base-Backbone interact. energy: -2.270
local terms energy: -565.989924
where:
bonds (distance) C4'-P energy: -133.801
bonds (distance) P-C4' energy: -126.354
flat angles C4'-P-C4' energy: -141.494
flat angles P-C4'-P energy: -81.074
tors. eta vs tors. theta energy: -83.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -972.674880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.674880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.674880 (E_RNA)
where:
Base-Base interactions energy: -430.824
where: short stacking energy: -344.148
Base-Backbone interact. energy: -2.189
local terms energy: -539.661792
where:
bonds (distance) C4'-P energy: -127.271
bonds (distance) P-C4' energy: -149.047
flat angles C4'-P-C4' energy: -125.715
flat angles P-C4'-P energy: -81.918
tors. eta vs tors. theta energy: -55.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -874.448975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.448975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.448975 (E_RNA)
where:
Base-Base interactions energy: -362.888
where: short stacking energy: -278.554
Base-Backbone interact. energy: 0.571
local terms energy: -512.132220
where:
bonds (distance) C4'-P energy: -137.301
bonds (distance) P-C4' energy: -143.297
flat angles C4'-P-C4' energy: -134.105
flat angles P-C4'-P energy: -74.944
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -866.059172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.059172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.059172 (E_RNA)
where:
Base-Base interactions energy: -389.714
where: short stacking energy: -244.704
Base-Backbone interact. energy: -3.237
local terms energy: -473.107839
where:
bonds (distance) C4'-P energy: -139.582
bonds (distance) P-C4' energy: -124.873
flat angles C4'-P-C4' energy: -132.848
flat angles P-C4'-P energy: -72.010
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -681.950259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.950259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.950259 (E_RNA)
where:
Base-Base interactions energy: -270.719
where: short stacking energy: -216.832
Base-Backbone interact. energy: -1.623
local terms energy: -409.608210
where:
bonds (distance) C4'-P energy: -118.475
bonds (distance) P-C4' energy: -121.141
flat angles C4'-P-C4' energy: -105.488
flat angles P-C4'-P energy: -70.532
tors. eta vs tors. theta energy: 6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -660.732260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.732260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.732260 (E_RNA)
where:
Base-Base interactions energy: -266.576
where: short stacking energy: -181.359
Base-Backbone interact. energy: 0.249
local terms energy: -394.405126
where:
bonds (distance) C4'-P energy: -125.440
bonds (distance) P-C4' energy: -135.967
flat angles C4'-P-C4' energy: -110.396
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: 20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -551.660236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.660236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.660236 (E_RNA)
where:
Base-Base interactions energy: -202.137
where: short stacking energy: -186.509
Base-Backbone interact. energy: -3.382
local terms energy: -346.140970
where:
bonds (distance) C4'-P energy: -107.431
bonds (distance) P-C4' energy: -121.992
flat angles C4'-P-C4' energy: -91.281
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: 17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1366.084334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.084334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.084334 (E_RNA)
where:
Base-Base interactions energy: -676.123
where: short stacking energy: -513.048
Base-Backbone interact. energy: -1.424
local terms energy: -688.536509
where:
bonds (distance) C4'-P energy: -139.644
bonds (distance) P-C4' energy: -161.542
flat angles C4'-P-C4' energy: -147.646
flat angles P-C4'-P energy: -109.376
tors. eta vs tors. theta energy: -130.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1334.750656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.750656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.750656 (E_RNA)
where:
Base-Base interactions energy: -694.835
where: short stacking energy: -483.725
Base-Backbone interact. energy: -0.348
local terms energy: -639.568304
where:
bonds (distance) C4'-P energy: -157.343
bonds (distance) P-C4' energy: -138.823
flat angles C4'-P-C4' energy: -139.989
flat angles P-C4'-P energy: -95.791
tors. eta vs tors. theta energy: -107.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1434.601085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.601085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.601085 (E_RNA)
where:
Base-Base interactions energy: -780.823
where: short stacking energy: -499.662
Base-Backbone interact. energy: -0.878
local terms energy: -652.899173
where:
bonds (distance) C4'-P energy: -147.159
bonds (distance) P-C4' energy: -144.300
flat angles C4'-P-C4' energy: -134.209
flat angles P-C4'-P energy: -104.958
tors. eta vs tors. theta energy: -122.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1144.309467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.309467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.309467 (E_RNA)
where:
Base-Base interactions energy: -577.290
where: short stacking energy: -389.642
Base-Backbone interact. energy: 1.544
local terms energy: -568.563702
where:
bonds (distance) C4'-P energy: -141.338
bonds (distance) P-C4' energy: -136.549
flat angles C4'-P-C4' energy: -142.183
flat angles P-C4'-P energy: -73.878
tors. eta vs tors. theta energy: -74.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -934.599343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.599343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.599343 (E_RNA)
where:
Base-Base interactions energy: -380.142
where: short stacking energy: -296.932
Base-Backbone interact. energy: -4.069
local terms energy: -550.387697
where:
bonds (distance) C4'-P energy: -135.968
bonds (distance) P-C4' energy: -137.674
flat angles C4'-P-C4' energy: -134.035
flat angles P-C4'-P energy: -90.818
tors. eta vs tors. theta energy: -51.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -909.794552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.794552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.794552 (E_RNA)
where:
Base-Base interactions energy: -444.457
where: short stacking energy: -306.794
Base-Backbone interact. energy: -2.384
local terms energy: -462.953170
where:
bonds (distance) C4'-P energy: -132.367
bonds (distance) P-C4' energy: -116.668
flat angles C4'-P-C4' energy: -110.590
flat angles P-C4'-P energy: -72.838
tors. eta vs tors. theta energy: -30.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -787.167426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.167426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.167426 (E_RNA)
where:
Base-Base interactions energy: -332.942
where: short stacking energy: -269.188
Base-Backbone interact. energy: -1.875
local terms energy: -452.350061
where:
bonds (distance) C4'-P energy: -122.740
bonds (distance) P-C4' energy: -121.820
flat angles C4'-P-C4' energy: -126.355
flat angles P-C4'-P energy: -55.423
tors. eta vs tors. theta energy: -26.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -788.853117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.853117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.853117 (E_RNA)
where:
Base-Base interactions energy: -334.800
where: short stacking energy: -202.327
Base-Backbone interact. energy: 0.521
local terms energy: -454.573849
where:
bonds (distance) C4'-P energy: -127.115
bonds (distance) P-C4' energy: -142.877
flat angles C4'-P-C4' energy: -120.224
flat angles P-C4'-P energy: -56.867
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -606.331891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.331891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.331891 (E_RNA)
where:
Base-Base interactions energy: -211.609
where: short stacking energy: -180.091
Base-Backbone interact. energy: -1.095
local terms energy: -393.627936
where:
bonds (distance) C4'-P energy: -141.793
bonds (distance) P-C4' energy: -125.565
flat angles C4'-P-C4' energy: -101.499
flat angles P-C4'-P energy: -50.805
tors. eta vs tors. theta energy: 26.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -546.956036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.956036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.956036 (E_RNA)
where:
Base-Base interactions energy: -167.243
where: short stacking energy: -154.989
Base-Backbone interact. energy: 0.076
local terms energy: -379.789484
where:
bonds (distance) C4'-P energy: -122.355
bonds (distance) P-C4' energy: -120.234
flat angles C4'-P-C4' energy: -119.381
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: 22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1485.038856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.038856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.038856 (E_RNA)
where:
Base-Base interactions energy: -799.999
where: short stacking energy: -590.446
Base-Backbone interact. energy: 2.102
local terms energy: -687.141653
where:
bonds (distance) C4'-P energy: -153.007
bonds (distance) P-C4' energy: -156.498
flat angles C4'-P-C4' energy: -151.443
flat angles P-C4'-P energy: -96.579
tors. eta vs tors. theta energy: -129.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1541.514803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.514803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.514803 (E_RNA)
where:
Base-Base interactions energy: -903.654
where: short stacking energy: -523.527
Base-Backbone interact. energy: -4.831
local terms energy: -633.030401
where:
bonds (distance) C4'-P energy: -136.158
bonds (distance) P-C4' energy: -128.929
flat angles C4'-P-C4' energy: -160.576
flat angles P-C4'-P energy: -94.292
tors. eta vs tors. theta energy: -113.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1283.405553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.405553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.405553 (E_RNA)
where:
Base-Base interactions energy: -655.554
where: short stacking energy: -442.713
Base-Backbone interact. energy: -3.772
local terms energy: -624.079454
where:
bonds (distance) C4'-P energy: -128.380
bonds (distance) P-C4' energy: -141.512
flat angles C4'-P-C4' energy: -153.669
flat angles P-C4'-P energy: -86.507
tors. eta vs tors. theta energy: -114.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1201.341925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.341925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.341925 (E_RNA)
where:
Base-Base interactions energy: -630.744
where: short stacking energy: -403.739
Base-Backbone interact. energy: 0.403
local terms energy: -571.001299
where:
bonds (distance) C4'-P energy: -133.509
bonds (distance) P-C4' energy: -148.951
flat angles C4'-P-C4' energy: -135.382
flat angles P-C4'-P energy: -75.707
tors. eta vs tors. theta energy: -77.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -908.014496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.014496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.014496 (E_RNA)
where:
Base-Base interactions energy: -424.053
where: short stacking energy: -296.681
Base-Backbone interact. energy: 2.984
local terms energy: -486.944958
where:
bonds (distance) C4'-P energy: -127.077
bonds (distance) P-C4' energy: -126.325
flat angles C4'-P-C4' energy: -110.607
flat angles P-C4'-P energy: -86.195
tors. eta vs tors. theta energy: -36.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -935.316980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.316980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.316980 (E_RNA)
where:
Base-Base interactions energy: -478.101
where: short stacking energy: -314.712
Base-Backbone interact. energy: -1.030
local terms energy: -456.185879
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -124.539
flat angles C4'-P-C4' energy: -125.782
flat angles P-C4'-P energy: -67.572
tors. eta vs tors. theta energy: -30.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -719.279639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.279639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.279639 (E_RNA)
where:
Base-Base interactions energy: -272.772
where: short stacking energy: -221.205
Base-Backbone interact. energy: -3.174
local terms energy: -443.332875
where:
bonds (distance) C4'-P energy: -128.242
bonds (distance) P-C4' energy: -126.643
flat angles C4'-P-C4' energy: -109.561
flat angles P-C4'-P energy: -77.219
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -832.840701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.840701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.840701 (E_RNA)
where:
Base-Base interactions energy: -355.595
where: short stacking energy: -234.906
Base-Backbone interact. energy: -1.125
local terms energy: -476.120868
where:
bonds (distance) C4'-P energy: -127.894
bonds (distance) P-C4' energy: -138.549
flat angles C4'-P-C4' energy: -131.916
flat angles P-C4'-P energy: -66.735
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -620.144287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.144287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.144287 (E_RNA)
where:
Base-Base interactions energy: -246.125
where: short stacking energy: -166.565
Base-Backbone interact. energy: 6.144
local terms energy: -380.164077
where:
bonds (distance) C4'-P energy: -123.560
bonds (distance) P-C4' energy: -132.258
flat angles C4'-P-C4' energy: -107.768
flat angles P-C4'-P energy: -52.350
tors. eta vs tors. theta energy: 35.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -641.319823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.319823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.319823 (E_RNA)
where:
Base-Base interactions energy: -276.368
where: short stacking energy: -190.957
Base-Backbone interact. energy: -3.281
local terms energy: -361.670723
where:
bonds (distance) C4'-P energy: -99.402
bonds (distance) P-C4' energy: -124.345
flat angles C4'-P-C4' energy: -97.921
flat angles P-C4'-P energy: -60.794
tors. eta vs tors. theta energy: 20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1643.866639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.866639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.866639 (E_RNA)
where:
Base-Base interactions energy: -961.747
where: short stacking energy: -567.660
Base-Backbone interact. energy: 2.241
local terms energy: -684.359930
where:
bonds (distance) C4'-P energy: -128.012
bonds (distance) P-C4' energy: -148.352
flat angles C4'-P-C4' energy: -171.868
flat angles P-C4'-P energy: -102.596
tors. eta vs tors. theta energy: -133.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1334.227151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.227151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.227151 (E_RNA)
where:
Base-Base interactions energy: -648.238
where: short stacking energy: -521.071
Base-Backbone interact. energy: -0.746
local terms energy: -685.243774
where:
bonds (distance) C4'-P energy: -140.309
bonds (distance) P-C4' energy: -158.702
flat angles C4'-P-C4' energy: -149.291
flat angles P-C4'-P energy: -91.123
tors. eta vs tors. theta energy: -145.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1292.254373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.254373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.254373 (E_RNA)
where:
Base-Base interactions energy: -672.511
where: short stacking energy: -495.845
Base-Backbone interact. energy: -0.691
local terms energy: -619.052953
where:
bonds (distance) C4'-P energy: -132.568
bonds (distance) P-C4' energy: -136.974
flat angles C4'-P-C4' energy: -148.047
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -108.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1235.420990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.420990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.420990 (E_RNA)
where:
Base-Base interactions energy: -676.136
where: short stacking energy: -402.562
Base-Backbone interact. energy: -3.144
local terms energy: -556.140321
where:
bonds (distance) C4'-P energy: -119.862
bonds (distance) P-C4' energy: -151.096
flat angles C4'-P-C4' energy: -135.586
flat angles P-C4'-P energy: -78.330
tors. eta vs tors. theta energy: -71.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1066.914370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.914370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.914370 (E_RNA)
where:
Base-Base interactions energy: -542.941
where: short stacking energy: -347.679
Base-Backbone interact. energy: 2.808
local terms energy: -526.782026
where:
bonds (distance) C4'-P energy: -139.553
bonds (distance) P-C4' energy: -131.705
flat angles C4'-P-C4' energy: -124.630
flat angles P-C4'-P energy: -80.917
tors. eta vs tors. theta energy: -49.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -905.067386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.067386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.067386 (E_RNA)
where:
Base-Base interactions energy: -415.284
where: short stacking energy: -313.889
Base-Backbone interact. energy: -1.370
local terms energy: -488.413190
where:
bonds (distance) C4'-P energy: -121.819
bonds (distance) P-C4' energy: -129.659
flat angles C4'-P-C4' energy: -122.596
flat angles P-C4'-P energy: -79.850
tors. eta vs tors. theta energy: -34.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -920.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.468754 (E_RNA)
where:
Base-Base interactions energy: -453.481
where: short stacking energy: -309.881
Base-Backbone interact. energy: 2.373
local terms energy: -469.360679
where:
bonds (distance) C4'-P energy: -111.847
bonds (distance) P-C4' energy: -118.319
flat angles C4'-P-C4' energy: -125.513
flat angles P-C4'-P energy: -83.534
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -657.069052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.069052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.069052 (E_RNA)
where:
Base-Base interactions energy: -226.394
where: short stacking energy: -197.949
Base-Backbone interact. energy: -5.636
local terms energy: -425.038847
where:
bonds (distance) C4'-P energy: -123.419
bonds (distance) P-C4' energy: -140.578
flat angles C4'-P-C4' energy: -103.634
flat angles P-C4'-P energy: -50.325
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -686.165162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.165162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.165162 (E_RNA)
where:
Base-Base interactions energy: -276.241
where: short stacking energy: -177.679
Base-Backbone interact. energy: 1.551
local terms energy: -411.475779
where:
bonds (distance) C4'-P energy: -105.363
bonds (distance) P-C4' energy: -128.828
flat angles C4'-P-C4' energy: -104.199
flat angles P-C4'-P energy: -85.860
tors. eta vs tors. theta energy: 12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -595.953745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.953745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.953745 (E_RNA)
where:
Base-Base interactions energy: -235.580
where: short stacking energy: -182.119
Base-Backbone interact. energy: -1.548
local terms energy: -358.826017
where:
bonds (distance) C4'-P energy: -76.442
bonds (distance) P-C4' energy: -133.966
flat angles C4'-P-C4' energy: -103.825
flat angles P-C4'-P energy: -65.939
tors. eta vs tors. theta energy: 21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1724.892210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.892210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.892210 (E_RNA)
where:
Base-Base interactions energy: -1032.420
where: short stacking energy: -588.609
Base-Backbone interact. energy: -0.511
local terms energy: -691.960737
where:
bonds (distance) C4'-P energy: -138.115
bonds (distance) P-C4' energy: -139.544
flat angles C4'-P-C4' energy: -167.986
flat angles P-C4'-P energy: -101.851
tors. eta vs tors. theta energy: -144.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1357.701910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.701910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.701910 (E_RNA)
where:
Base-Base interactions energy: -703.595
where: short stacking energy: -521.628
Base-Backbone interact. energy: -1.907
local terms energy: -652.200244
where:
bonds (distance) C4'-P energy: -144.358
bonds (distance) P-C4' energy: -139.232
flat angles C4'-P-C4' energy: -149.038
flat angles P-C4'-P energy: -94.668
tors. eta vs tors. theta energy: -124.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1314.985006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.985006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.985006 (E_RNA)
where:
Base-Base interactions energy: -706.798
where: short stacking energy: -457.001
Base-Backbone interact. energy: 0.973
local terms energy: -609.159821
where:
bonds (distance) C4'-P energy: -146.954
bonds (distance) P-C4' energy: -150.002
flat angles C4'-P-C4' energy: -127.287
flat angles P-C4'-P energy: -93.007
tors. eta vs tors. theta energy: -91.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1302.538518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.538518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.538518 (E_RNA)
where:
Base-Base interactions energy: -747.366
where: short stacking energy: -407.978
Base-Backbone interact. energy: 1.335
local terms energy: -556.507259
where:
bonds (distance) C4'-P energy: -128.407
bonds (distance) P-C4' energy: -132.812
flat angles C4'-P-C4' energy: -146.737
flat angles P-C4'-P energy: -77.679
tors. eta vs tors. theta energy: -70.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1166.291610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.291610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.291610 (E_RNA)
where:
Base-Base interactions energy: -633.028
where: short stacking energy: -348.590
Base-Backbone interact. energy: 3.481
local terms energy: -536.744107
where:
bonds (distance) C4'-P energy: -127.867
bonds (distance) P-C4' energy: -129.636
flat angles C4'-P-C4' energy: -135.237
flat angles P-C4'-P energy: -84.436
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -886.619953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.619953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.619953 (E_RNA)
where:
Base-Base interactions energy: -390.733
where: short stacking energy: -293.422
Base-Backbone interact. energy: 1.332
local terms energy: -497.219198
where:
bonds (distance) C4'-P energy: -130.268
bonds (distance) P-C4' energy: -139.663
flat angles C4'-P-C4' energy: -113.367
flat angles P-C4'-P energy: -65.816
tors. eta vs tors. theta energy: -48.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -892.473374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.473374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.473374 (E_RNA)
where:
Base-Base interactions energy: -432.115
where: short stacking energy: -280.557
Base-Backbone interact. energy: 2.364
local terms energy: -462.722863
where:
bonds (distance) C4'-P energy: -119.830
bonds (distance) P-C4' energy: -124.695
flat angles C4'-P-C4' energy: -129.423
flat angles P-C4'-P energy: -71.606
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -954.972172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.972172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.972172 (E_RNA)
where:
Base-Base interactions energy: -489.038
where: short stacking energy: -293.941
Base-Backbone interact. energy: -0.816
local terms energy: -465.118821
where:
bonds (distance) C4'-P energy: -120.712
bonds (distance) P-C4' energy: -117.959
flat angles C4'-P-C4' energy: -123.432
flat angles P-C4'-P energy: -64.309
tors. eta vs tors. theta energy: -38.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -651.833603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.833603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.833603 (E_RNA)
where:
Base-Base interactions energy: -263.147
where: short stacking energy: -230.975
Base-Backbone interact. energy: -6.594
local terms energy: -382.092813
where:
bonds (distance) C4'-P energy: -112.283
bonds (distance) P-C4' energy: -122.475
flat angles C4'-P-C4' energy: -90.600
flat angles P-C4'-P energy: -59.035
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -593.539794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.539794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.539794 (E_RNA)
where:
Base-Base interactions energy: -234.254
where: short stacking energy: -179.440
Base-Backbone interact. energy: -3.872
local terms energy: -355.414053
where:
bonds (distance) C4'-P energy: -127.604
bonds (distance) P-C4' energy: -103.821
flat angles C4'-P-C4' energy: -81.582
flat angles P-C4'-P energy: -66.653
tors. eta vs tors. theta energy: 24.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1831.320773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.320773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.320773 (E_RNA)
where:
Base-Base interactions energy: -1122.242
where: short stacking energy: -628.851
Base-Backbone interact. energy: -1.036
local terms energy: -708.042986
where:
bonds (distance) C4'-P energy: -147.325
bonds (distance) P-C4' energy: -139.794
flat angles C4'-P-C4' energy: -152.323
flat angles P-C4'-P energy: -101.046
tors. eta vs tors. theta energy: -167.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1416.282740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.282740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.282740 (E_RNA)
where:
Base-Base interactions energy: -746.880
where: short stacking energy: -480.526
Base-Backbone interact. energy: -3.158
local terms energy: -666.244748
where:
bonds (distance) C4'-P energy: -152.902
bonds (distance) P-C4' energy: -139.596
flat angles C4'-P-C4' energy: -151.985
flat angles P-C4'-P energy: -97.405
tors. eta vs tors. theta energy: -124.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1353.932422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.932422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.932422 (E_RNA)
where:
Base-Base interactions energy: -751.948
where: short stacking energy: -419.670
Base-Backbone interact. energy: -2.152
local terms energy: -599.832341
where:
bonds (distance) C4'-P energy: -134.592
bonds (distance) P-C4' energy: -151.207
flat angles C4'-P-C4' energy: -143.463
flat angles P-C4'-P energy: -85.286
tors. eta vs tors. theta energy: -85.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1315.905671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.905671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.905671 (E_RNA)
where:
Base-Base interactions energy: -741.890
where: short stacking energy: -437.381
Base-Backbone interact. energy: -2.461
local terms energy: -571.555230
where:
bonds (distance) C4'-P energy: -107.927
bonds (distance) P-C4' energy: -139.150
flat angles C4'-P-C4' energy: -139.957
flat angles P-C4'-P energy: -88.598
tors. eta vs tors. theta energy: -95.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1220.780320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.780320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.780320 (E_RNA)
where:
Base-Base interactions energy: -668.790
where: short stacking energy: -364.196
Base-Backbone interact. energy: -4.446
local terms energy: -547.544917
where:
bonds (distance) C4'-P energy: -132.031
bonds (distance) P-C4' energy: -140.408
flat angles C4'-P-C4' energy: -142.998
flat angles P-C4'-P energy: -77.450
tors. eta vs tors. theta energy: -54.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1013.981099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.981099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.981099 (E_RNA)
where:
Base-Base interactions energy: -496.481
where: short stacking energy: -309.630
Base-Backbone interact. energy: -1.802
local terms energy: -515.697699
where:
bonds (distance) C4'-P energy: -128.407
bonds (distance) P-C4' energy: -133.708
flat angles C4'-P-C4' energy: -130.323
flat angles P-C4'-P energy: -80.526
tors. eta vs tors. theta energy: -42.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1045.001539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.001539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.001539 (E_RNA)
where:
Base-Base interactions energy: -581.756
where: short stacking energy: -345.910
Base-Backbone interact. energy: -2.344
local terms energy: -460.901483
where:
bonds (distance) C4'-P energy: -119.788
bonds (distance) P-C4' energy: -132.025
flat angles C4'-P-C4' energy: -94.032
flat angles P-C4'-P energy: -67.581
tors. eta vs tors. theta energy: -47.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -837.118868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.118868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.118868 (E_RNA)
where:
Base-Base interactions energy: -409.035
where: short stacking energy: -259.019
Base-Backbone interact. energy: -0.569
local terms energy: -427.515557
where:
bonds (distance) C4'-P energy: -113.290
bonds (distance) P-C4' energy: -140.368
flat angles C4'-P-C4' energy: -111.793
flat angles P-C4'-P energy: -64.315
tors. eta vs tors. theta energy: 2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -734.211679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.211679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.211679 (E_RNA)
where:
Base-Base interactions energy: -333.795
where: short stacking energy: -217.991
Base-Backbone interact. energy: -1.675
local terms energy: -398.741658
where:
bonds (distance) C4'-P energy: -108.564
bonds (distance) P-C4' energy: -125.007
flat angles C4'-P-C4' energy: -94.746
flat angles P-C4'-P energy: -67.162
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -603.665164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.665164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.665164 (E_RNA)
where:
Base-Base interactions energy: -252.468
where: short stacking energy: -165.320
Base-Backbone interact. energy: 3.398
local terms energy: -354.595222
where:
bonds (distance) C4'-P energy: -114.828
bonds (distance) P-C4' energy: -120.116
flat angles C4'-P-C4' energy: -94.044
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: 25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1842.385146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.385146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.385146 (E_RNA)
where:
Base-Base interactions energy: -1118.988
where: short stacking energy: -624.694
Base-Backbone interact. energy: -1.034
local terms energy: -722.363600
where:
bonds (distance) C4'-P energy: -140.456
bonds (distance) P-C4' energy: -143.368
flat angles C4'-P-C4' energy: -164.566
flat angles P-C4'-P energy: -107.718
tors. eta vs tors. theta energy: -166.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1480.724124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.724124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.724124 (E_RNA)
where:
Base-Base interactions energy: -817.981
where: short stacking energy: -520.992
Base-Backbone interact. energy: -2.335
local terms energy: -660.408265
where:
bonds (distance) C4'-P energy: -153.330
bonds (distance) P-C4' energy: -127.951
flat angles C4'-P-C4' energy: -153.004
flat angles P-C4'-P energy: -98.501
tors. eta vs tors. theta energy: -127.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1354.399382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.399382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.399382 (E_RNA)
where:
Base-Base interactions energy: -754.443
where: short stacking energy: -462.450
Base-Backbone interact. energy: -0.745
local terms energy: -599.212005
where:
bonds (distance) C4'-P energy: -130.709
bonds (distance) P-C4' energy: -146.764
flat angles C4'-P-C4' energy: -142.660
flat angles P-C4'-P energy: -84.261
tors. eta vs tors. theta energy: -94.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1381.863097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.863097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.863097 (E_RNA)
where:
Base-Base interactions energy: -776.754
where: short stacking energy: -447.721
Base-Backbone interact. energy: 4.506
local terms energy: -609.615859
where:
bonds (distance) C4'-P energy: -122.565
bonds (distance) P-C4' energy: -149.518
flat angles C4'-P-C4' energy: -139.215
flat angles P-C4'-P energy: -93.088
tors. eta vs tors. theta energy: -105.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1233.834839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.834839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.834839 (E_RNA)
where:
Base-Base interactions energy: -708.889
where: short stacking energy: -392.383
Base-Backbone interact. energy: 3.800
local terms energy: -528.745478
where:
bonds (distance) C4'-P energy: -142.770
bonds (distance) P-C4' energy: -129.673
flat angles C4'-P-C4' energy: -117.817
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: -77.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1168.813041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.813041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.813041 (E_RNA)
where:
Base-Base interactions energy: -666.058
where: short stacking energy: -372.944
Base-Backbone interact. energy: 1.359
local terms energy: -504.113855
where:
bonds (distance) C4'-P energy: -140.172
bonds (distance) P-C4' energy: -122.661
flat angles C4'-P-C4' energy: -115.522
flat angles P-C4'-P energy: -66.791
tors. eta vs tors. theta energy: -58.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -937.603413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.603413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.603413 (E_RNA)
where:
Base-Base interactions energy: -477.571
where: short stacking energy: -291.889
Base-Backbone interact. energy: -2.528
local terms energy: -457.504567
where:
bonds (distance) C4'-P energy: -105.941
bonds (distance) P-C4' energy: -116.924
flat angles C4'-P-C4' energy: -122.192
flat angles P-C4'-P energy: -75.813
tors. eta vs tors. theta energy: -36.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -862.063468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.063468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.063468 (E_RNA)
where:
Base-Base interactions energy: -406.903
where: short stacking energy: -276.901
Base-Backbone interact. energy: -0.258
local terms energy: -454.902212
where:
bonds (distance) C4'-P energy: -108.208
bonds (distance) P-C4' energy: -136.078
flat angles C4'-P-C4' energy: -117.855
flat angles P-C4'-P energy: -84.729
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -706.120893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.120893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.120893 (E_RNA)
where:
Base-Base interactions energy: -268.283
where: short stacking energy: -177.542
Base-Backbone interact. energy: -1.070
local terms energy: -436.767810
where:
bonds (distance) C4'-P energy: -126.344
bonds (distance) P-C4' energy: -137.884
flat angles C4'-P-C4' energy: -101.141
flat angles P-C4'-P energy: -64.549
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -659.488516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.488516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.488516 (E_RNA)
where:
Base-Base interactions energy: -290.902
where: short stacking energy: -207.505
Base-Backbone interact. energy: 1.535
local terms energy: -370.121706
where:
bonds (distance) C4'-P energy: -118.661
bonds (distance) P-C4' energy: -126.253
flat angles C4'-P-C4' energy: -85.912
flat angles P-C4'-P energy: -47.144
tors. eta vs tors. theta energy: 7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1852.055607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.055607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.055607 (E_RNA)
where:
Base-Base interactions energy: -1150.916
where: short stacking energy: -629.871
Base-Backbone interact. energy: -1.474
local terms energy: -699.665244
where:
bonds (distance) C4'-P energy: -150.885
bonds (distance) P-C4' energy: -135.482
flat angles C4'-P-C4' energy: -146.564
flat angles P-C4'-P energy: -107.660
tors. eta vs tors. theta energy: -159.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1412.455407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.455407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.455407 (E_RNA)
where:
Base-Base interactions energy: -774.436
where: short stacking energy: -470.189
Base-Backbone interact. energy: -4.410
local terms energy: -633.609498
where:
bonds (distance) C4'-P energy: -144.051
bonds (distance) P-C4' energy: -141.042
flat angles C4'-P-C4' energy: -149.396
flat angles P-C4'-P energy: -95.713
tors. eta vs tors. theta energy: -103.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1501.474513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.474513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.474513 (E_RNA)
where:
Base-Base interactions energy: -876.327
where: short stacking energy: -522.732
Base-Backbone interact. energy: 0.776
local terms energy: -625.923780
where:
bonds (distance) C4'-P energy: -135.218
bonds (distance) P-C4' energy: -156.441
flat angles C4'-P-C4' energy: -137.469
flat angles P-C4'-P energy: -79.274
tors. eta vs tors. theta energy: -117.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1312.275636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.275636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.275636 (E_RNA)
where:
Base-Base interactions energy: -707.110
where: short stacking energy: -401.990
Base-Backbone interact. energy: -2.961
local terms energy: -602.205175
where:
bonds (distance) C4'-P energy: -144.657
bonds (distance) P-C4' energy: -156.870
flat angles C4'-P-C4' energy: -124.471
flat angles P-C4'-P energy: -104.118
tors. eta vs tors. theta energy: -72.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1254.032395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.032395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.032395 (E_RNA)
where:
Base-Base interactions energy: -709.777
where: short stacking energy: -368.394
Base-Backbone interact. energy: -1.621
local terms energy: -542.634362
where:
bonds (distance) C4'-P energy: -130.801
bonds (distance) P-C4' energy: -138.570
flat angles C4'-P-C4' energy: -144.743
flat angles P-C4'-P energy: -73.836
tors. eta vs tors. theta energy: -54.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1271.070140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.070140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.070140 (E_RNA)
where:
Base-Base interactions energy: -729.393
where: short stacking energy: -353.387
Base-Backbone interact. energy: -2.528
local terms energy: -539.149696
where:
bonds (distance) C4'-P energy: -123.391
bonds (distance) P-C4' energy: -140.422
flat angles C4'-P-C4' energy: -119.732
flat angles P-C4'-P energy: -88.712
tors. eta vs tors. theta energy: -66.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -982.264573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.264573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.264573 (E_RNA)
where:
Base-Base interactions energy: -491.184
where: short stacking energy: -319.185
Base-Backbone interact. energy: -2.066
local terms energy: -489.014724
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -112.205
flat angles C4'-P-C4' energy: -117.691
flat angles P-C4'-P energy: -73.170
tors. eta vs tors. theta energy: -55.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -822.038987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.038987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.038987 (E_RNA)
where:
Base-Base interactions energy: -394.313
where: short stacking energy: -262.296
Base-Backbone interact. energy: -0.454
local terms energy: -427.271865
where:
bonds (distance) C4'-P energy: -113.925
bonds (distance) P-C4' energy: -132.060
flat angles C4'-P-C4' energy: -96.250
flat angles P-C4'-P energy: -74.201
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -740.382353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.382353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.382353 (E_RNA)
where:
Base-Base interactions energy: -372.207
where: short stacking energy: -230.254
Base-Backbone interact. energy: -0.469
local terms energy: -367.706305
where:
bonds (distance) C4'-P energy: -104.273
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -100.042
flat angles P-C4'-P energy: -54.010
tors. eta vs tors. theta energy: 3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -668.497377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.497377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.497377 (E_RNA)
where:
Base-Base interactions energy: -289.665
where: short stacking energy: -163.552
Base-Backbone interact. energy: -0.188
local terms energy: -378.644436
where:
bonds (distance) C4'-P energy: -116.573
bonds (distance) P-C4' energy: -142.985
flat angles C4'-P-C4' energy: -94.322
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: 32.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1861.535216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.535216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.535216 (E_RNA)
where:
Base-Base interactions energy: -1165.955
where: short stacking energy: -625.800
Base-Backbone interact. energy: -4.083
local terms energy: -691.497953
where:
bonds (distance) C4'-P energy: -138.787
bonds (distance) P-C4' energy: -158.122
flat angles C4'-P-C4' energy: -146.506
flat angles P-C4'-P energy: -89.465
tors. eta vs tors. theta energy: -158.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1640.186197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.186197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.186197 (E_RNA)
where:
Base-Base interactions energy: -983.369
where: short stacking energy: -531.638
Base-Backbone interact. energy: -2.598
local terms energy: -654.219847
where:
bonds (distance) C4'-P energy: -149.705
bonds (distance) P-C4' energy: -144.950
flat angles C4'-P-C4' energy: -142.671
flat angles P-C4'-P energy: -95.615
tors. eta vs tors. theta energy: -121.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1424.263304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.263304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.263304 (E_RNA)
where:
Base-Base interactions energy: -774.524
where: short stacking energy: -503.894
Base-Backbone interact. energy: 3.943
local terms energy: -653.682672
where:
bonds (distance) C4'-P energy: -126.869
bonds (distance) P-C4' energy: -143.876
flat angles C4'-P-C4' energy: -151.283
flat angles P-C4'-P energy: -96.708
tors. eta vs tors. theta energy: -134.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1423.197414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.197414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.197414 (E_RNA)
where:
Base-Base interactions energy: -829.057
where: short stacking energy: -455.030
Base-Backbone interact. energy: 1.413
local terms energy: -595.553471
where:
bonds (distance) C4'-P energy: -127.403
bonds (distance) P-C4' energy: -144.845
flat angles C4'-P-C4' energy: -124.083
flat angles P-C4'-P energy: -80.991
tors. eta vs tors. theta energy: -118.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1237.514095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.514095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.514095 (E_RNA)
where:
Base-Base interactions energy: -679.709
where: short stacking energy: -371.817
Base-Backbone interact. energy: -1.744
local terms energy: -556.060472
where:
bonds (distance) C4'-P energy: -124.412
bonds (distance) P-C4' energy: -145.998
flat angles C4'-P-C4' energy: -139.035
flat angles P-C4'-P energy: -67.784
tors. eta vs tors. theta energy: -78.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1272.048859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.048859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.048859 (E_RNA)
where:
Base-Base interactions energy: -731.718
where: short stacking energy: -388.636
Base-Backbone interact. energy: 1.445
local terms energy: -541.775646
where:
bonds (distance) C4'-P energy: -132.538
bonds (distance) P-C4' energy: -133.420
flat angles C4'-P-C4' energy: -122.992
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -74.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -992.960070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.960070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.960070 (E_RNA)
where:
Base-Base interactions energy: -522.844
where: short stacking energy: -309.052
Base-Backbone interact. energy: 1.147
local terms energy: -471.262958
where:
bonds (distance) C4'-P energy: -131.477
bonds (distance) P-C4' energy: -113.943
flat angles C4'-P-C4' energy: -118.723
flat angles P-C4'-P energy: -72.637
tors. eta vs tors. theta energy: -34.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: -1749.159325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.159325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.159325 (E_RNA)
where:
Base-Base interactions energy: -1056.200
where: short stacking energy: -602.762
Base-Backbone interact. energy: 0.692
local terms energy: -693.650833
where:
bonds (distance) C4'-P energy: -139.451
bonds (distance) P-C4' energy: -138.360
flat angles C4'-P-C4' energy: -157.371
flat angles P-C4'-P energy: -97.710
tors. eta vs tors. theta energy: -160.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1603.579463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.579463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.579463 (E_RNA)
where:
Base-Base interactions energy: -926.497
where: short stacking energy: -529.606
Base-Backbone interact. energy: 7.575
local terms energy: -684.657477
where:
bonds (distance) C4'-P energy: -131.546
bonds (distance) P-C4' energy: -145.503
flat angles C4'-P-C4' energy: -146.226
flat angles P-C4'-P energy: -110.536
tors. eta vs tors. theta energy: -150.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1271.982570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.982570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.982570 (E_RNA)
where:
Base-Base interactions energy: -665.404
where: short stacking energy: -417.485
Base-Backbone interact. energy: -0.840
local terms energy: -605.738180
where:
bonds (distance) C4'-P energy: -144.879
bonds (distance) P-C4' energy: -158.815
flat angles C4'-P-C4' energy: -135.535
flat angles P-C4'-P energy: -85.041
tors. eta vs tors. theta energy: -81.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1432.618843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.618843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.618843 (E_RNA)
where:
Base-Base interactions energy: -878.316
where: short stacking energy: -442.154
Base-Backbone interact. energy: -5.000
local terms energy: -549.303340
where:
bonds (distance) C4'-P energy: -105.920
bonds (distance) P-C4' energy: -137.246
flat angles C4'-P-C4' energy: -126.689
flat angles P-C4'-P energy: -82.068
tors. eta vs tors. theta energy: -97.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1188.988518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.988518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.988518 (E_RNA)
where:
Base-Base interactions energy: -647.092
where: short stacking energy: -366.204
Base-Backbone interact. energy: -2.447
local terms energy: -539.449262
where:
bonds (distance) C4'-P energy: -128.602
bonds (distance) P-C4' energy: -143.978
flat angles C4'-P-C4' energy: -123.090
flat angles P-C4'-P energy: -80.946
tors. eta vs tors. theta energy: -62.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -997.511636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.511636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.511636 (E_RNA)
where:
Base-Base interactions energy: -531.972
where: short stacking energy: -304.282
Base-Backbone interact. energy: 1.772
local terms energy: -467.312116
where:
bonds (distance) C4'-P energy: -132.729
bonds (distance) P-C4' energy: -123.475
flat angles C4'-P-C4' energy: -116.409
flat angles P-C4'-P energy: -58.643
tors. eta vs tors. theta energy: -36.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: -1792.915811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.915811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.915811 (E_RNA)
where:
Base-Base interactions energy: -1072.428
where: short stacking energy: -593.859
Base-Backbone interact. energy: -0.060
local terms energy: -720.427681
where:
bonds (distance) C4'-P energy: -145.232
bonds (distance) P-C4' energy: -149.374
flat angles C4'-P-C4' energy: -162.322
flat angles P-C4'-P energy: -101.263
tors. eta vs tors. theta energy: -162.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1639.285054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.285054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.285054 (E_RNA)
where:
Base-Base interactions energy: -969.881
where: short stacking energy: -562.892
Base-Backbone interact. energy: -1.084
local terms energy: -668.319719
where:
bonds (distance) C4'-P energy: -124.827
bonds (distance) P-C4' energy: -153.019
flat angles C4'-P-C4' energy: -155.567
flat angles P-C4'-P energy: -88.300
tors. eta vs tors. theta energy: -146.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1597.687035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.687035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.687035 (E_RNA)
where:
Base-Base interactions energy: -964.482
where: short stacking energy: -505.156
Base-Backbone interact. energy: -1.166
local terms energy: -632.039418
where:
bonds (distance) C4'-P energy: -138.560
bonds (distance) P-C4' energy: -128.099
flat angles C4'-P-C4' energy: -153.693
flat angles P-C4'-P energy: -99.756
tors. eta vs tors. theta energy: -111.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1142.194230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.194230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.194230 (E_RNA)
where:
Base-Base interactions energy: -583.264
where: short stacking energy: -394.067
Base-Backbone interact. energy: -1.699
local terms energy: -557.231173
where:
bonds (distance) C4'-P energy: -123.931
bonds (distance) P-C4' energy: -141.008
flat angles C4'-P-C4' energy: -133.461
flat angles P-C4'-P energy: -87.429
tors. eta vs tors. theta energy: -71.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1242.129535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.129535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.129535 (E_RNA)
where:
Base-Base interactions energy: -715.800
where: short stacking energy: -378.116
Base-Backbone interact. energy: -1.699
local terms energy: -524.630569
where:
bonds (distance) C4'-P energy: -121.127
bonds (distance) P-C4' energy: -142.106
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -57.859
tors. eta vs tors. theta energy: -83.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1043.407318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.407318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.407318 (E_RNA)
where:
Base-Base interactions energy: -575.967
where: short stacking energy: -308.418
Base-Backbone interact. energy: 3.902
local terms energy: -471.342303
where:
bonds (distance) C4'-P energy: -113.630
bonds (distance) P-C4' energy: -127.745
flat angles C4'-P-C4' energy: -121.703
flat angles P-C4'-P energy: -66.725
tors. eta vs tors. theta energy: -41.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: -1722.779979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.779979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.779979 (E_RNA)
where:
Base-Base interactions energy: -1054.866
where: short stacking energy: -542.651
Base-Backbone interact. energy: 3.992
local terms energy: -671.905561
where:
bonds (distance) C4'-P energy: -153.644
bonds (distance) P-C4' energy: -147.853
flat angles C4'-P-C4' energy: -145.360
flat angles P-C4'-P energy: -87.322
tors. eta vs tors. theta energy: -137.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1606.640764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.640764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.640764 (E_RNA)
where:
Base-Base interactions energy: -979.502
where: short stacking energy: -525.054
Base-Backbone interact. energy: -1.461
local terms energy: -625.677852
where:
bonds (distance) C4'-P energy: -138.254
bonds (distance) P-C4' energy: -120.088
flat angles C4'-P-C4' energy: -141.750
flat angles P-C4'-P energy: -91.932
tors. eta vs tors. theta energy: -133.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1619.097321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.097321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.097321 (E_RNA)
where:
Base-Base interactions energy: -1011.326
where: short stacking energy: -490.715
Base-Backbone interact. energy: -2.601
local terms energy: -605.169749
where:
bonds (distance) C4'-P energy: -121.184
bonds (distance) P-C4' energy: -131.783
flat angles C4'-P-C4' energy: -147.374
flat angles P-C4'-P energy: -93.534
tors. eta vs tors. theta energy: -111.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1342.494576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.494576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.494576 (E_RNA)
where:
Base-Base interactions energy: -759.214
where: short stacking energy: -424.338
Base-Backbone interact. energy: 1.057
local terms energy: -584.337538
where:
bonds (distance) C4'-P energy: -153.957
bonds (distance) P-C4' energy: -137.226
flat angles C4'-P-C4' energy: -121.190
flat angles P-C4'-P energy: -78.739
tors. eta vs tors. theta energy: -93.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1091.555213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.555213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.555213 (E_RNA)
where:
Base-Base interactions energy: -540.818
where: short stacking energy: -374.977
Base-Backbone interact. energy: 0.730
local terms energy: -551.467330
where:
bonds (distance) C4'-P energy: -136.196
bonds (distance) P-C4' energy: -123.186
flat angles C4'-P-C4' energy: -135.699
flat angles P-C4'-P energy: -81.916
tors. eta vs tors. theta energy: -74.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1054.743675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.743675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.743675 (E_RNA)
where:
Base-Base interactions energy: -602.015
where: short stacking energy: -331.282
Base-Backbone interact. energy: -2.067
local terms energy: -450.661375
where:
bonds (distance) C4'-P energy: -112.093
bonds (distance) P-C4' energy: -122.894
flat angles C4'-P-C4' energy: -127.405
flat angles P-C4'-P energy: -49.995
tors. eta vs tors. theta energy: -38.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1758.053608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.053608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.053608 (E_RNA)
where:
Base-Base interactions energy: -1093.517
where: short stacking energy: -601.284
Base-Backbone interact. energy: 3.246
local terms energy: -667.782824
where:
bonds (distance) C4'-P energy: -140.486
bonds (distance) P-C4' energy: -136.679
flat angles C4'-P-C4' energy: -151.804
flat angles P-C4'-P energy: -91.171
tors. eta vs tors. theta energy: -147.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1614.576176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.576176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.576176 (E_RNA)
where:
Base-Base interactions energy: -972.848
where: short stacking energy: -529.378
Base-Backbone interact. energy: -1.865
local terms energy: -639.862709
where:
bonds (distance) C4'-P energy: -138.786
bonds (distance) P-C4' energy: -146.223
flat angles C4'-P-C4' energy: -143.534
flat angles P-C4'-P energy: -94.399
tors. eta vs tors. theta energy: -116.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1625.039209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.039209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.039209 (E_RNA)
where:
Base-Base interactions energy: -1012.216
where: short stacking energy: -491.706
Base-Backbone interact. energy: -0.749
local terms energy: -612.074617
where:
bonds (distance) C4'-P energy: -141.319
bonds (distance) P-C4' energy: -125.985
flat angles C4'-P-C4' energy: -138.673
flat angles P-C4'-P energy: -88.369
tors. eta vs tors. theta energy: -117.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1293.608735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.608735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.608735 (E_RNA)
where:
Base-Base interactions energy: -722.300
where: short stacking energy: -400.018
Base-Backbone interact. energy: -0.571
local terms energy: -570.737529
where:
bonds (distance) C4'-P energy: -135.124
bonds (distance) P-C4' energy: -127.372
flat angles C4'-P-C4' energy: -128.426
flat angles P-C4'-P energy: -86.756
tors. eta vs tors. theta energy: -93.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1169.218824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.218824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.218824 (E_RNA)
where:
Base-Base interactions energy: -660.849
where: short stacking energy: -309.852
Base-Backbone interact. energy: -2.514
local terms energy: -505.855427
where:
bonds (distance) C4'-P energy: -135.336
bonds (distance) P-C4' energy: -134.619
flat angles C4'-P-C4' energy: -114.818
flat angles P-C4'-P energy: -82.940
tors. eta vs tors. theta energy: -38.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -972.626530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.626530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.626530 (E_RNA)
where:
Base-Base interactions energy: -538.323
where: short stacking energy: -330.867
Base-Backbone interact. energy: 0.706
local terms energy: -435.009306
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -124.287
flat angles C4'-P-C4' energy: -125.401
flat angles P-C4'-P energy: -62.872
tors. eta vs tors. theta energy: -33.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -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: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1972.777861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.777861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.777861 (E_RNA)
where:
Base-Base interactions energy: -1247.188
where: short stacking energy: -645.207
Base-Backbone interact. energy: -2.946
local terms energy: -722.643820
where:
bonds (distance) C4'-P energy: -143.429
bonds (distance) P-C4' energy: -146.826
flat angles C4'-P-C4' energy: -168.749
flat angles P-C4'-P energy: -99.616
tors. eta vs tors. theta energy: -164.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1758.172327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.172327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.172327 (E_RNA)
where:
Base-Base interactions energy: -1068.066
where: short stacking energy: -577.440
Base-Backbone interact. energy: -0.844
local terms energy: -689.262720
where:
bonds (distance) C4'-P energy: -135.840
bonds (distance) P-C4' energy: -150.594
flat angles C4'-P-C4' energy: -150.370
flat angles P-C4'-P energy: -98.568
tors. eta vs tors. theta energy: -153.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1765.012439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.012439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.012439 (E_RNA)
where:
Base-Base interactions energy: -1130.823
where: short stacking energy: -535.357
Base-Backbone interact. energy: -2.129
local terms energy: -632.061250
where:
bonds (distance) C4'-P energy: -129.548
bonds (distance) P-C4' energy: -133.606
flat angles C4'-P-C4' energy: -145.411
flat angles P-C4'-P energy: -75.789
tors. eta vs tors. theta energy: -147.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1611.959175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.959175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.959175 (E_RNA)
where:
Base-Base interactions energy: -973.351
where: short stacking energy: -488.465
Base-Backbone interact. energy: -1.963
local terms energy: -636.644517
where:
bonds (distance) C4'-P energy: -134.435
bonds (distance) P-C4' energy: -146.739
flat angles C4'-P-C4' energy: -133.853
flat angles P-C4'-P energy: -89.694
tors. eta vs tors. theta energy: -131.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1335.225847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.225847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.225847 (E_RNA)
where:
Base-Base interactions energy: -766.273
where: short stacking energy: -417.735
Base-Backbone interact. energy: -1.372
local terms energy: -567.581411
where:
bonds (distance) C4'-P energy: -123.010
bonds (distance) P-C4' energy: -122.836
flat angles C4'-P-C4' energy: -137.933
flat angles P-C4'-P energy: -90.408
tors. eta vs tors. theta energy: -93.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1169.829608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.829608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.829608 (E_RNA)
where:
Base-Base interactions energy: -680.566
where: short stacking energy: -395.427
Base-Backbone interact. energy: -1.228
local terms energy: -488.035118
where:
bonds (distance) C4'-P energy: -114.563
bonds (distance) P-C4' energy: -111.945
flat angles C4'-P-C4' energy: -134.879
flat angles P-C4'-P energy: -66.124
tors. eta vs tors. theta energy: -60.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1022.645010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.645010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.645010 (E_RNA)
where:
Base-Base interactions energy: -533.054
where: short stacking energy: -333.056
Base-Backbone interact. energy: -2.082
local terms energy: -487.509123
where:
bonds (distance) C4'-P energy: -110.992
bonds (distance) P-C4' energy: -137.749
flat angles C4'-P-C4' energy: -123.683
flat angles P-C4'-P energy: -76.710
tors. eta vs tors. theta energy: -38.375
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: 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: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1980.681748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.681748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.681748 (E_RNA)
where:
Base-Base interactions energy: -1216.790
where: short stacking energy: -657.430
Base-Backbone interact. energy: -1.669
local terms energy: -762.223114
where:
bonds (distance) C4'-P energy: -144.483
bonds (distance) P-C4' energy: -160.633
flat angles C4'-P-C4' energy: -166.050
flat angles P-C4'-P energy: -114.654
tors. eta vs tors. theta energy: -176.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1886.736912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.736912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.736912 (E_RNA)
where:
Base-Base interactions energy: -1193.834
where: short stacking energy: -572.575
Base-Backbone interact. energy: -0.681
local terms energy: -692.222347
where:
bonds (distance) C4'-P energy: -149.173
bonds (distance) P-C4' energy: -148.058
flat angles C4'-P-C4' energy: -158.642
flat angles P-C4'-P energy: -89.919
tors. eta vs tors. theta energy: -146.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1739.566884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.566884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.566884 (E_RNA)
where:
Base-Base interactions energy: -1078.290
where: short stacking energy: -537.725
Base-Backbone interact. energy: 0.150
local terms energy: -661.426711
where:
bonds (distance) C4'-P energy: -136.167
bonds (distance) P-C4' energy: -143.091
flat angles C4'-P-C4' energy: -141.559
flat angles P-C4'-P energy: -98.780
tors. eta vs tors. theta energy: -141.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1686.146555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.146555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.146555 (E_RNA)
where:
Base-Base interactions energy: -1019.923
where: short stacking energy: -518.516
Base-Backbone interact. energy: -2.723
local terms energy: -663.500308
where:
bonds (distance) C4'-P energy: -150.110
bonds (distance) P-C4' energy: -134.469
flat angles C4'-P-C4' energy: -152.418
flat angles P-C4'-P energy: -92.872
tors. eta vs tors. theta energy: -133.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1316.488573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.488573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.488573 (E_RNA)
where:
Base-Base interactions energy: -733.307
where: short stacking energy: -382.562
Base-Backbone interact. energy: -0.322
local terms energy: -582.860003
where:
bonds (distance) C4'-P energy: -142.942
bonds (distance) P-C4' energy: -123.290
flat angles C4'-P-C4' energy: -131.134
flat angles P-C4'-P energy: -96.538
tors. eta vs tors. theta energy: -88.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1310.023351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.023351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.023351 (E_RNA)
where:
Base-Base interactions energy: -762.151
where: short stacking energy: -430.848
Base-Backbone interact. energy: -0.863
local terms energy: -547.009464
where:
bonds (distance) C4'-P energy: -119.193
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -122.225
flat angles P-C4'-P energy: -72.630
tors. eta vs tors. theta energy: -101.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -975.581172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.581172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.581172 (E_RNA)
where:
Base-Base interactions energy: -504.355
where: short stacking energy: -284.707
Base-Backbone interact. energy: -2.019
local terms energy: -469.207506
where:
bonds (distance) C4'-P energy: -131.466
bonds (distance) P-C4' energy: -122.193
flat angles C4'-P-C4' energy: -111.968
flat angles P-C4'-P energy: -77.420
tors. eta vs tors. theta energy: -26.161
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: 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: -2053.762391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.762391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.762391 (E_RNA)
where:
Base-Base interactions energy: -1322.176
where: short stacking energy: -639.218
Base-Backbone interact. energy: -1.135
local terms energy: -730.451193
where:
bonds (distance) C4'-P energy: -150.966
bonds (distance) P-C4' energy: -151.739
flat angles C4'-P-C4' energy: -156.027
flat angles P-C4'-P energy: -96.785
tors. eta vs tors. theta energy: -174.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1902.748847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.748847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.748847 (E_RNA)
where:
Base-Base interactions energy: -1225.579
where: short stacking energy: -605.323
Base-Backbone interact. energy: -5.119
local terms energy: -672.051238
where:
bonds (distance) C4'-P energy: -140.918
bonds (distance) P-C4' energy: -132.382
flat angles C4'-P-C4' energy: -161.848
flat angles P-C4'-P energy: -89.218
tors. eta vs tors. theta energy: -147.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1745.991729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.991729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.991729 (E_RNA)
where:
Base-Base interactions energy: -1077.571
where: short stacking energy: -566.427
Base-Backbone interact. energy: 2.310
local terms energy: -670.730781
where:
bonds (distance) C4'-P energy: -127.698
bonds (distance) P-C4' energy: -140.998
flat angles C4'-P-C4' energy: -151.059
flat angles P-C4'-P energy: -102.605
tors. eta vs tors. theta energy: -148.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1684.419120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.419120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.419120 (E_RNA)
where:
Base-Base interactions energy: -1045.488
where: short stacking energy: -504.538
Base-Backbone interact. energy: -1.319
local terms energy: -637.611192
where:
bonds (distance) C4'-P energy: -138.697
bonds (distance) P-C4' energy: -148.290
flat angles C4'-P-C4' energy: -158.816
flat angles P-C4'-P energy: -70.024
tors. eta vs tors. theta energy: -121.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1314.077463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.077463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.077463 (E_RNA)
where:
Base-Base interactions energy: -741.393
where: short stacking energy: -401.225
Base-Backbone interact. energy: 1.156
local terms energy: -573.840483
where:
bonds (distance) C4'-P energy: -133.195
bonds (distance) P-C4' energy: -140.364
flat angles C4'-P-C4' energy: -138.353
flat angles P-C4'-P energy: -77.109
tors. eta vs tors. theta energy: -84.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1198.365747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.365747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.365747 (E_RNA)
where:
Base-Base interactions energy: -656.068
where: short stacking energy: -361.798
Base-Backbone interact. energy: 2.856
local terms energy: -545.154175
where:
bonds (distance) C4'-P energy: -124.669
bonds (distance) P-C4' energy: -145.727
flat angles C4'-P-C4' energy: -121.584
flat angles P-C4'-P energy: -81.827
tors. eta vs tors. theta energy: -71.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1073.471070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.471070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.471070 (E_RNA)
where:
Base-Base interactions energy: -593.169
where: short stacking energy: -328.092
Base-Backbone interact. energy: 2.433
local terms energy: -482.734587
where:
bonds (distance) C4'-P energy: -120.490
bonds (distance) P-C4' energy: -131.166
flat angles C4'-P-C4' energy: -121.381
flat angles P-C4'-P energy: -68.336
tors. eta vs tors. theta energy: -41.362
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: 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: -2096.134312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.134312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.134312 (E_RNA)
where:
Base-Base interactions energy: -1346.618
where: short stacking energy: -659.231
Base-Backbone interact. energy: -3.940
local terms energy: -745.576070
where:
bonds (distance) C4'-P energy: -147.401
bonds (distance) P-C4' energy: -137.809
flat angles C4'-P-C4' energy: -172.915
flat angles P-C4'-P energy: -112.729
tors. eta vs tors. theta energy: -174.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1934.571185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.571185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.571185 (E_RNA)
where:
Base-Base interactions energy: -1234.335
where: short stacking energy: -637.291
Base-Backbone interact. energy: -4.031
local terms energy: -696.204443
where:
bonds (distance) C4'-P energy: -131.806
bonds (distance) P-C4' energy: -138.726
flat angles C4'-P-C4' energy: -142.257
flat angles P-C4'-P energy: -114.424
tors. eta vs tors. theta energy: -168.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1768.020777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.020777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.020777 (E_RNA)
where:
Base-Base interactions energy: -1111.267
where: short stacking energy: -570.018
Base-Backbone interact. energy: 1.160
local terms energy: -657.913994
where:
bonds (distance) C4'-P energy: -132.087
bonds (distance) P-C4' energy: -144.340
flat angles C4'-P-C4' energy: -146.569
flat angles P-C4'-P energy: -99.677
tors. eta vs tors. theta energy: -135.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1634.197137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.197137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.197137 (E_RNA)
where:
Base-Base interactions energy: -1033.067
where: short stacking energy: -515.514
Base-Backbone interact. energy: -1.020
local terms energy: -600.109870
where:
bonds (distance) C4'-P energy: -134.131
bonds (distance) P-C4' energy: -133.360
flat angles C4'-P-C4' energy: -133.067
flat angles P-C4'-P energy: -76.758
tors. eta vs tors. theta energy: -122.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1339.257583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.257583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.257583 (E_RNA)
where:
Base-Base interactions energy: -772.299
where: short stacking energy: -445.414
Base-Backbone interact. energy: -1.784
local terms energy: -565.174639
where:
bonds (distance) C4'-P energy: -124.217
bonds (distance) P-C4' energy: -140.052
flat angles C4'-P-C4' energy: -126.577
flat angles P-C4'-P energy: -64.487
tors. eta vs tors. theta energy: -109.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1214.913634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.913634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.913634 (E_RNA)
where:
Base-Base interactions energy: -715.733
where: short stacking energy: -391.739
Base-Backbone interact. energy: 1.990
local terms energy: -501.170524
where:
bonds (distance) C4'-P energy: -112.941
bonds (distance) P-C4' energy: -125.386
flat angles C4'-P-C4' energy: -111.786
flat angles P-C4'-P energy: -90.680
tors. eta vs tors. theta energy: -60.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1112.986541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.986541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.986541 (E_RNA)
where:
Base-Base interactions energy: -635.041
where: short stacking energy: -325.473
Base-Backbone interact. energy: -0.693
local terms energy: -477.252464
where:
bonds (distance) C4'-P energy: -123.163
bonds (distance) P-C4' energy: -128.841
flat angles C4'-P-C4' energy: -117.661
flat angles P-C4'-P energy: -73.949
tors. eta vs tors. theta energy: -33.638
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: 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: -2087.615907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.615907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.615907 (E_RNA)
where:
Base-Base interactions energy: -1369.812
where: short stacking energy: -669.144
Base-Backbone interact. energy: -1.171
local terms energy: -716.632646
where:
bonds (distance) C4'-P energy: -144.495
bonds (distance) P-C4' energy: -138.086
flat angles C4'-P-C4' energy: -152.085
flat angles P-C4'-P energy: -109.163
tors. eta vs tors. theta energy: -172.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1877.986129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.986129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.986129 (E_RNA)
where:
Base-Base interactions energy: -1197.128
where: short stacking energy: -584.181
Base-Backbone interact. energy: 0.491
local terms energy: -681.349073
where:
bonds (distance) C4'-P energy: -134.179
bonds (distance) P-C4' energy: -138.382
flat angles C4'-P-C4' energy: -155.643
flat angles P-C4'-P energy: -100.363
tors. eta vs tors. theta energy: -152.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1790.632849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.632849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.632849 (E_RNA)
where:
Base-Base interactions energy: -1125.893
where: short stacking energy: -541.658
Base-Backbone interact. energy: -0.860
local terms energy: -663.879614
where:
bonds (distance) C4'-P energy: -136.017
bonds (distance) P-C4' energy: -123.839
flat angles C4'-P-C4' energy: -156.198
flat angles P-C4'-P energy: -112.464
tors. eta vs tors. theta energy: -135.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1799.980815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.980815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.980815 (E_RNA)
where:
Base-Base interactions energy: -1168.276
where: short stacking energy: -569.948
Base-Backbone interact. energy: -3.338
local terms energy: -628.366260
where:
bonds (distance) C4'-P energy: -137.294
bonds (distance) P-C4' energy: -128.973
flat angles C4'-P-C4' energy: -144.158
flat angles P-C4'-P energy: -81.014
tors. eta vs tors. theta energy: -136.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1311.957300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.957300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.957300 (E_RNA)
where:
Base-Base interactions energy: -761.358
where: short stacking energy: -428.965
Base-Backbone interact. energy: -1.542
local terms energy: -549.057149
where:
bonds (distance) C4'-P energy: -114.651
bonds (distance) P-C4' energy: -129.634
flat angles C4'-P-C4' energy: -122.968
flat angles P-C4'-P energy: -94.097
tors. eta vs tors. theta energy: -87.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1308.444743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.444743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.444743 (E_RNA)
where:
Base-Base interactions energy: -766.671
where: short stacking energy: -434.452
Base-Backbone interact. energy: -1.020
local terms energy: -540.754580
where:
bonds (distance) C4'-P energy: -120.816
bonds (distance) P-C4' energy: -130.018
flat angles C4'-P-C4' energy: -120.085
flat angles P-C4'-P energy: -76.148
tors. eta vs tors. theta energy: -93.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1061.375685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.375685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.375685 (E_RNA)
where:
Base-Base interactions energy: -549.815
where: short stacking energy: -306.678
Base-Backbone interact. energy: 0.113
local terms energy: -511.673373
where:
bonds (distance) C4'-P energy: -102.288
bonds (distance) P-C4' energy: -144.942
flat angles C4'-P-C4' energy: -129.499
flat angles P-C4'-P energy: -79.672
tors. eta vs tors. theta energy: -55.273
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: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1087.960568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.960568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.960568 (E_RNA)
where:
Base-Base interactions energy: -610.802
where: short stacking energy: -350.091
Base-Backbone interact. energy: -0.657
local terms energy: -476.501405
where:
bonds (distance) C4'-P energy: -131.494
bonds (distance) P-C4' energy: -110.404
flat angles C4'-P-C4' energy: -129.429
flat angles P-C4'-P energy: -48.800
tors. eta vs tors. theta energy: -56.375
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: 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: -2198.538368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.538368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.538368 (E_RNA)
where:
Base-Base interactions energy: -1435.040
where: short stacking energy: -660.614
Base-Backbone interact. energy: -0.520
local terms energy: -762.977660
where:
bonds (distance) C4'-P energy: -124.788
bonds (distance) P-C4' energy: -153.179
flat angles C4'-P-C4' energy: -173.828
flat angles P-C4'-P energy: -114.859
tors. eta vs tors. theta energy: -196.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1857.578343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.578343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.578343 (E_RNA)
where:
Base-Base interactions energy: -1172.491
where: short stacking energy: -598.682
Base-Backbone interact. energy: -1.811
local terms energy: -683.276441
where:
bonds (distance) C4'-P energy: -137.177
bonds (distance) P-C4' energy: -144.761
flat angles C4'-P-C4' energy: -154.538
flat angles P-C4'-P energy: -99.592
tors. eta vs tors. theta energy: -147.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1792.540819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.540819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.540819 (E_RNA)
where:
Base-Base interactions energy: -1136.528
where: short stacking energy: -551.146
Base-Backbone interact. energy: 5.189
local terms energy: -661.201256
where:
bonds (distance) C4'-P energy: -138.574
bonds (distance) P-C4' energy: -141.121
flat angles C4'-P-C4' energy: -158.586
flat angles P-C4'-P energy: -81.000
tors. eta vs tors. theta energy: -141.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1793.095139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.095139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.095139 (E_RNA)
where:
Base-Base interactions energy: -1133.814
where: short stacking energy: -554.609
Base-Backbone interact. energy: -4.918
local terms energy: -654.363338
where:
bonds (distance) C4'-P energy: -139.453
bonds (distance) P-C4' energy: -146.702
flat angles C4'-P-C4' energy: -142.369
flat angles P-C4'-P energy: -88.339
tors. eta vs tors. theta energy: -137.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1368.971505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.971505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.971505 (E_RNA)
where:
Base-Base interactions energy: -808.775
where: short stacking energy: -419.655
Base-Backbone interact. energy: -0.528
local terms energy: -559.668668
where:
bonds (distance) C4'-P energy: -137.761
bonds (distance) P-C4' energy: -132.303
flat angles C4'-P-C4' energy: -121.422
flat angles P-C4'-P energy: -103.783
tors. eta vs tors. theta energy: -64.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1328.682713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.682713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.682713 (E_RNA)
where:
Base-Base interactions energy: -753.053
where: short stacking energy: -405.753
Base-Backbone interact. energy: -2.028
local terms energy: -573.601902
where:
bonds (distance) C4'-P energy: -129.665
bonds (distance) P-C4' energy: -131.219
flat angles C4'-P-C4' energy: -129.549
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -103.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1183.675793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.675793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.675793 (E_RNA)
where:
Base-Base interactions energy: -668.654
where: short stacking energy: -338.926
Base-Backbone interact. energy: -0.564
local terms energy: -514.458077
where:
bonds (distance) C4'-P energy: -129.806
bonds (distance) P-C4' energy: -142.920
flat angles C4'-P-C4' energy: -113.709
flat angles P-C4'-P energy: -73.013
tors. eta vs tors. theta energy: -55.010
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: 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: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1031.862801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.862801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.862801 (E_RNA)
where:
Base-Base interactions energy: -584.676
where: short stacking energy: -296.323
Base-Backbone interact. energy: 3.070
local terms energy: -450.256681
where:
bonds (distance) C4'-P energy: -109.281
bonds (distance) P-C4' energy: -114.171
flat angles C4'-P-C4' energy: -122.840
flat angles P-C4'-P energy: -60.131
tors. eta vs tors. theta energy: -43.834
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: 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: -2163.589949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.589949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.589949 (E_RNA)
where:
Base-Base interactions energy: -1427.558
where: short stacking energy: -671.145
Base-Backbone interact. energy: -2.808
local terms energy: -733.223736
where:
bonds (distance) C4'-P energy: -127.470
bonds (distance) P-C4' energy: -144.491
flat angles C4'-P-C4' energy: -170.913
flat angles P-C4'-P energy: -107.097
tors. eta vs tors. theta energy: -183.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1854.193632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.193632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.193632 (E_RNA)
where:
Base-Base interactions energy: -1172.825
where: short stacking energy: -547.543
Base-Backbone interact. energy: 2.511
local terms energy: -683.879434
where:
bonds (distance) C4'-P energy: -145.632
bonds (distance) P-C4' energy: -143.763
flat angles C4'-P-C4' energy: -159.692
flat angles P-C4'-P energy: -99.901
tors. eta vs tors. theta energy: -134.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1857.713794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.713794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.713794 (E_RNA)
where:
Base-Base interactions energy: -1187.249
where: short stacking energy: -569.097
Base-Backbone interact. energy: -3.029
local terms energy: -667.436089
where:
bonds (distance) C4'-P energy: -137.340
bonds (distance) P-C4' energy: -158.108
flat angles C4'-P-C4' energy: -148.166
flat angles P-C4'-P energy: -80.208
tors. eta vs tors. theta energy: -143.614
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: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1802.111010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.111010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.111010 (E_RNA)
where:
Base-Base interactions energy: -1114.069
where: short stacking energy: -571.897
Base-Backbone interact. energy: -1.230
local terms energy: -686.812061
where:
bonds (distance) C4'-P energy: -141.267
bonds (distance) P-C4' energy: -144.698
flat angles C4'-P-C4' energy: -140.400
flat angles P-C4'-P energy: -97.138
tors. eta vs tors. theta energy: -163.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1425.392912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.392912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.392912 (E_RNA)
where:
Base-Base interactions energy: -831.261
where: short stacking energy: -457.262
Base-Backbone interact. energy: -2.867
local terms energy: -591.265306
where:
bonds (distance) C4'-P energy: -131.744
bonds (distance) P-C4' energy: -139.338
flat angles C4'-P-C4' energy: -132.885
flat angles P-C4'-P energy: -88.694
tors. eta vs tors. theta energy: -98.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1305.288456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.288456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.288456 (E_RNA)
where:
Base-Base interactions energy: -768.292
where: short stacking energy: -374.538
Base-Backbone interact. energy: -0.772
local terms energy: -536.224467
where:
bonds (distance) C4'-P energy: -130.506
bonds (distance) P-C4' energy: -129.301
flat angles C4'-P-C4' energy: -128.387
flat angles P-C4'-P energy: -75.027
tors. eta vs tors. theta energy: -73.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1277.499471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.499471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.499471 (E_RNA)
where:
Base-Base interactions energy: -744.091
where: short stacking energy: -375.465
Base-Backbone interact. energy: -1.487
local terms energy: -531.921344
where:
bonds (distance) C4'-P energy: -127.352
bonds (distance) P-C4' energy: -121.817
flat angles C4'-P-C4' energy: -135.328
flat angles P-C4'-P energy: -71.615
tors. eta vs tors. theta energy: -75.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1032.513271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.513271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.513271 (E_RNA)
where:
Base-Base interactions energy: -576.031
where: short stacking energy: -283.130
Base-Backbone interact. energy: 0.939
local terms energy: -457.420877
where:
bonds (distance) C4'-P energy: -122.271
bonds (distance) P-C4' energy: -121.859
flat angles C4'-P-C4' energy: -96.552
flat angles P-C4'-P energy: -74.704
tors. eta vs tors. theta energy: -42.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: -2226.800269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.800269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.800269 (E_RNA)
where:
Base-Base interactions energy: -1477.380
where: short stacking energy: -667.757
Base-Backbone interact. energy: -3.533
local terms energy: -745.887893
where:
bonds (distance) C4'-P energy: -135.635
bonds (distance) P-C4' energy: -155.442
flat angles C4'-P-C4' energy: -161.277
flat angles P-C4'-P energy: -95.909
tors. eta vs tors. theta energy: -197.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1934.331776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.331776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.331776 (E_RNA)
where:
Base-Base interactions energy: -1239.011
where: short stacking energy: -608.437
Base-Backbone interact. energy: -2.139
local terms energy: -693.181883
where:
bonds (distance) C4'-P energy: -122.177
bonds (distance) P-C4' energy: -155.280
flat angles C4'-P-C4' energy: -168.399
flat angles P-C4'-P energy: -99.136
tors. eta vs tors. theta energy: -148.189
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: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1750.932655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.932655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.932655 (E_RNA)
where:
Base-Base interactions energy: -1112.349
where: short stacking energy: -566.341
Base-Backbone interact. energy: -1.359
local terms energy: -637.224704
where:
bonds (distance) C4'-P energy: -129.722
bonds (distance) P-C4' energy: -143.139
flat angles C4'-P-C4' energy: -136.832
flat angles P-C4'-P energy: -87.721
tors. eta vs tors. theta energy: -139.812
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1751.506750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.506750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.506750 (E_RNA)
where:
Base-Base interactions energy: -1108.883
where: short stacking energy: -522.875
Base-Backbone interact. energy: -3.077
local terms energy: -639.547159
where:
bonds (distance) C4'-P energy: -121.742
bonds (distance) P-C4' energy: -133.896
flat angles C4'-P-C4' energy: -152.646
flat angles P-C4'-P energy: -92.588
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: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1455.749318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.749318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.749318 (E_RNA)
where:
Base-Base interactions energy: -862.871
where: short stacking energy: -451.919
Base-Backbone interact. energy: 0.082
local terms energy: -592.960570
where:
bonds (distance) C4'-P energy: -123.941
bonds (distance) P-C4' energy: -153.752
flat angles C4'-P-C4' energy: -124.073
flat angles P-C4'-P energy: -94.803
tors. eta vs tors. theta energy: -96.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1366.242369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.242369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.242369 (E_RNA)
where:
Base-Base interactions energy: -814.122
where: short stacking energy: -412.484
Base-Backbone interact. energy: -1.407
local terms energy: -550.713937
where:
bonds (distance) C4'-P energy: -122.879
bonds (distance) P-C4' energy: -141.428
flat angles C4'-P-C4' energy: -130.450
flat angles P-C4'-P energy: -85.041
tors. eta vs tors. theta energy: -70.916
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: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1247.963629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.963629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.963629 (E_RNA)
where:
Base-Base interactions energy: -741.587
where: short stacking energy: -394.464
Base-Backbone interact. energy: 3.212
local terms energy: -509.588454
where:
bonds (distance) C4'-P energy: -115.004
bonds (distance) P-C4' energy: -131.896
flat angles C4'-P-C4' energy: -113.086
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -76.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -961.117231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.117231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.117231 (E_RNA)
where:
Base-Base interactions energy: -511.383
where: short stacking energy: -295.425
Base-Backbone interact. energy: 8.540
local terms energy: -458.274016
where:
bonds (distance) C4'-P energy: -106.391
bonds (distance) P-C4' energy: -153.068
flat angles C4'-P-C4' energy: -132.603
flat angles P-C4'-P energy: -52.284
tors. eta vs tors. theta energy: -13.928
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: 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: -2191.744133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.744133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.744133 (E_RNA)
where:
Base-Base interactions energy: -1461.896
where: short stacking energy: -665.102
Base-Backbone interact. energy: -3.293
local terms energy: -726.555319
where:
bonds (distance) C4'-P energy: -131.918
bonds (distance) P-C4' energy: -153.868
flat angles C4'-P-C4' energy: -162.777
flat angles P-C4'-P energy: -107.116
tors. eta vs tors. theta energy: -170.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1977.080089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.080089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.080089 (E_RNA)
where:
Base-Base interactions energy: -1296.183
where: short stacking energy: -602.769
Base-Backbone interact. energy: -2.898
local terms energy: -677.999064
where:
bonds (distance) C4'-P energy: -141.378
bonds (distance) P-C4' energy: -140.359
flat angles C4'-P-C4' energy: -158.090
flat angles P-C4'-P energy: -93.742
tors. eta vs tors. theta energy: -144.432
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: 28
Temperature: 1.000000
Total energy: -1773.148862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.148862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.148862 (E_RNA)
where:
Base-Base interactions energy: -1143.543
where: short stacking energy: -574.648
Base-Backbone interact. energy: -2.409
local terms energy: -627.197284
where:
bonds (distance) C4'-P energy: -117.812
bonds (distance) P-C4' energy: -149.863
flat angles C4'-P-C4' energy: -137.388
flat angles P-C4'-P energy: -78.599
tors. eta vs tors. theta energy: -143.535
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: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1720.605544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.605544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.605544 (E_RNA)
where:
Base-Base interactions energy: -1081.971
where: short stacking energy: -520.965
Base-Backbone interact. energy: 3.650
local terms energy: -642.284331
where:
bonds (distance) C4'-P energy: -143.715
bonds (distance) P-C4' energy: -153.242
flat angles C4'-P-C4' energy: -139.367
flat angles P-C4'-P energy: -93.853
tors. eta vs tors. theta energy: -112.106
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: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1522.557503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.557503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.557503 (E_RNA)
where:
Base-Base interactions energy: -915.052
where: short stacking energy: -490.476
Base-Backbone interact. energy: 0.224
local terms energy: -607.729312
where:
bonds (distance) C4'-P energy: -129.903
bonds (distance) P-C4' energy: -143.612
flat angles C4'-P-C4' energy: -137.097
flat angles P-C4'-P energy: -88.980
tors. eta vs tors. theta energy: -108.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1412.719772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.719772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.719772 (E_RNA)
where:
Base-Base interactions energy: -881.136
where: short stacking energy: -418.393
Base-Backbone interact. energy: -2.283
local terms energy: -529.300761
where:
bonds (distance) C4'-P energy: -124.303
bonds (distance) P-C4' energy: -122.676
flat angles C4'-P-C4' energy: -112.353
flat angles P-C4'-P energy: -91.810
tors. eta vs tors. theta energy: -78.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1213.609743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.609743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.609743 (E_RNA)
where:
Base-Base interactions energy: -680.808
where: short stacking energy: -376.115
Base-Backbone interact. energy: -0.925
local terms energy: -531.877012
where:
bonds (distance) C4'-P energy: -109.845
bonds (distance) P-C4' energy: -144.914
flat angles C4'-P-C4' energy: -136.627
flat angles P-C4'-P energy: -74.337
tors. eta vs tors. theta energy: -66.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1158.578642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.578642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.578642 (E_RNA)
where:
Base-Base interactions energy: -680.112
where: short stacking energy: -348.980
Base-Backbone interact. energy: 3.076
local terms energy: -481.542512
where:
bonds (distance) C4'-P energy: -127.350
bonds (distance) P-C4' energy: -132.593
flat angles C4'-P-C4' energy: -112.348
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -42.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -988.177622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.177622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.177622 (E_RNA)
where:
Base-Base interactions energy: -573.954
where: short stacking energy: -287.444
Base-Backbone interact. energy: 3.925
local terms energy: -418.148166
where:
bonds (distance) C4'-P energy: -116.490
bonds (distance) P-C4' energy: -133.471
flat angles C4'-P-C4' energy: -108.338
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -28.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: -2195.626908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.626908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.626908 (E_RNA)
where:
Base-Base interactions energy: -1464.261
where: short stacking energy: -645.553
Base-Backbone interact. energy: -4.065
local terms energy: -727.300660
where:
bonds (distance) C4'-P energy: -147.162
bonds (distance) P-C4' energy: -140.588
flat angles C4'-P-C4' energy: -163.110
flat angles P-C4'-P energy: -105.542
tors. eta vs tors. theta energy: -170.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1958.057589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.057589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.057589 (E_RNA)
where:
Base-Base interactions energy: -1285.284
where: short stacking energy: -615.842
Base-Backbone interact. energy: -2.383
local terms energy: -670.391011
where:
bonds (distance) C4'-P energy: -121.369
bonds (distance) P-C4' energy: -150.944
flat angles C4'-P-C4' energy: -148.601
flat angles P-C4'-P energy: -98.012
tors. eta vs tors. theta energy: -151.466
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: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1827.625162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.625162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.625162 (E_RNA)
where:
Base-Base interactions energy: -1174.938
where: short stacking energy: -558.973
Base-Backbone interact. energy: -2.185
local terms energy: -650.502391
where:
bonds (distance) C4'-P energy: -120.755
bonds (distance) P-C4' energy: -153.108
flat angles C4'-P-C4' energy: -140.851
flat angles P-C4'-P energy: -88.894
tors. eta vs tors. theta energy: -146.895
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: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1772.540154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.540154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.540154 (E_RNA)
where:
Base-Base interactions energy: -1130.625
where: short stacking energy: -519.737
Base-Backbone interact. energy: -5.492
local terms energy: -636.423244
where:
bonds (distance) C4'-P energy: -125.066
bonds (distance) P-C4' energy: -143.794
flat angles C4'-P-C4' energy: -135.913
flat angles P-C4'-P energy: -104.537
tors. eta vs tors. theta energy: -127.113
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: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1561.761106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.761106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.761106 (E_RNA)
where:
Base-Base interactions energy: -936.447
where: short stacking energy: -483.894
Base-Backbone interact. energy: 1.396
local terms energy: -626.710159
where:
bonds (distance) C4'-P energy: -135.617
bonds (distance) P-C4' energy: -153.173
flat angles C4'-P-C4' energy: -125.731
flat angles P-C4'-P energy: -99.232
tors. eta vs tors. theta energy: -112.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1422.016346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.016346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.016346 (E_RNA)
where:
Base-Base interactions energy: -875.349
where: short stacking energy: -400.081
Base-Backbone interact. energy: 0.738
local terms energy: -547.405142
where:
bonds (distance) C4'-P energy: -124.619
bonds (distance) P-C4' energy: -120.575
flat angles C4'-P-C4' energy: -138.153
flat angles P-C4'-P energy: -84.665
tors. eta vs tors. theta energy: -79.394
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: 29
Temperature: 1.200000
Total energy: -1130.089689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.089689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.089689 (E_RNA)
where:
Base-Base interactions energy: -646.215
where: short stacking energy: -343.749
Base-Backbone interact. energy: 1.228
local terms energy: -485.102292
where:
bonds (distance) C4'-P energy: -95.082
bonds (distance) P-C4' energy: -125.081
flat angles C4'-P-C4' energy: -122.467
flat angles P-C4'-P energy: -76.690
tors. eta vs tors. theta energy: -65.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1139.645617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.645617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.645617 (E_RNA)
where:
Base-Base interactions energy: -645.535
where: short stacking energy: -322.552
Base-Backbone interact. energy: -1.061
local terms energy: -493.050144
where:
bonds (distance) C4'-P energy: -136.871
bonds (distance) P-C4' energy: -137.259
flat angles C4'-P-C4' energy: -110.784
flat angles P-C4'-P energy: -65.714
tors. eta vs tors. theta energy: -42.422
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: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -959.096822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.096822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.096822 (E_RNA)
where:
Base-Base interactions energy: -530.946
where: short stacking energy: -291.966
Base-Backbone interact. energy: 1.027
local terms energy: -429.177439
where:
bonds (distance) C4'-P energy: -121.608
bonds (distance) P-C4' energy: -106.478
flat angles C4'-P-C4' energy: -113.356
flat angles P-C4'-P energy: -65.144
tors. eta vs tors. theta energy: -22.591
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: 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: -2231.671552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.671552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.671552 (E_RNA)
where:
Base-Base interactions energy: -1473.989
where: short stacking energy: -650.735
Base-Backbone interact. energy: -3.264
local terms energy: -754.418166
where:
bonds (distance) C4'-P energy: -142.946
bonds (distance) P-C4' energy: -156.400
flat angles C4'-P-C4' energy: -158.654
flat angles P-C4'-P energy: -108.119
tors. eta vs tors. theta energy: -188.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1976.370727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.370727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.370727 (E_RNA)
where:
Base-Base interactions energy: -1274.065
where: short stacking energy: -610.623
Base-Backbone interact. energy: -2.984
local terms energy: -699.321704
where:
bonds (distance) C4'-P energy: -139.242
bonds (distance) P-C4' energy: -156.239
flat angles C4'-P-C4' energy: -163.896
flat angles P-C4'-P energy: -88.375
tors. eta vs tors. theta energy: -151.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1833.453147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.453147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.453147 (E_RNA)
where:
Base-Base interactions energy: -1161.467
where: short stacking energy: -579.447
Base-Backbone interact. energy: -1.773
local terms energy: -670.213435
where:
bonds (distance) C4'-P energy: -131.272
bonds (distance) P-C4' energy: -138.637
flat angles C4'-P-C4' energy: -154.636
flat angles P-C4'-P energy: -87.941
tors. eta vs tors. theta energy: -157.727
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1708.379014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.379014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.379014 (E_RNA)
where:
Base-Base interactions energy: -1084.943
where: short stacking energy: -502.689
Base-Backbone interact. energy: -4.008
local terms energy: -619.427633
where:
bonds (distance) C4'-P energy: -119.230
bonds (distance) P-C4' energy: -145.458
flat angles C4'-P-C4' energy: -142.372
flat angles P-C4'-P energy: -90.133
tors. eta vs tors. theta energy: -122.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1533.066613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.066613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.066613 (E_RNA)
where:
Base-Base interactions energy: -943.469
where: short stacking energy: -451.651
Base-Backbone interact. energy: 0.596
local terms energy: -590.193624
where:
bonds (distance) C4'-P energy: -122.361
bonds (distance) P-C4' energy: -142.007
flat angles C4'-P-C4' energy: -144.425
flat angles P-C4'-P energy: -94.986
tors. eta vs tors. theta energy: -86.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1512.861970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.861970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.861970 (E_RNA)
where:
Base-Base interactions energy: -899.083
where: short stacking energy: -425.279
Base-Backbone interact. energy: 0.269
local terms energy: -614.048177
where:
bonds (distance) C4'-P energy: -123.943
bonds (distance) P-C4' energy: -149.782
flat angles C4'-P-C4' energy: -151.996
flat angles P-C4'-P energy: -99.519
tors. eta vs tors. theta energy: -88.808
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: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1280.454184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.454184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.454184 (E_RNA)
where:
Base-Base interactions energy: -786.849
where: short stacking energy: -374.427
Base-Backbone interact. energy: -2.499
local terms energy: -491.106170
where:
bonds (distance) C4'-P energy: -113.825
bonds (distance) P-C4' energy: -124.161
flat angles C4'-P-C4' energy: -126.664
flat angles P-C4'-P energy: -61.406
tors. eta vs tors. theta energy: -65.049
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: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1017.138900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.138900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.138900 (E_RNA)
where:
Base-Base interactions energy: -531.915
where: short stacking energy: -256.122
Base-Backbone interact. energy: -1.154
local terms energy: -484.069167
where:
bonds (distance) C4'-P energy: -116.572
bonds (distance) P-C4' energy: -144.567
flat angles C4'-P-C4' energy: -120.578
flat angles P-C4'-P energy: -71.719
tors. eta vs tors. theta energy: -30.635
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: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -980.045104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.045104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.045104 (E_RNA)
where:
Base-Base interactions energy: -561.354
where: short stacking energy: -288.109
Base-Backbone interact. energy: 2.924
local terms energy: -421.615752
where:
bonds (distance) C4'-P energy: -112.623
bonds (distance) P-C4' energy: -119.322
flat angles C4'-P-C4' energy: -110.725
flat angles P-C4'-P energy: -59.748
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: -2267.297787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.297787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.297787 (E_RNA)
where:
Base-Base interactions energy: -1500.369
where: short stacking energy: -690.522
Base-Backbone interact. energy: -2.218
local terms energy: -764.711382
where:
bonds (distance) C4'-P energy: -141.019
bonds (distance) P-C4' energy: -152.035
flat angles C4'-P-C4' energy: -167.574
flat angles P-C4'-P energy: -105.259
tors. eta vs tors. theta energy: -198.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1991.985496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.985496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.985496 (E_RNA)
where:
Base-Base interactions energy: -1288.636
where: short stacking energy: -617.530
Base-Backbone interact. energy: 4.370
local terms energy: -707.719289
where:
bonds (distance) C4'-P energy: -130.646
bonds (distance) P-C4' energy: -147.373
flat angles C4'-P-C4' energy: -159.407
flat angles P-C4'-P energy: -112.018
tors. eta vs tors. theta energy: -158.275
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: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1814.968297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.968297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.968297 (E_RNA)
where:
Base-Base interactions energy: -1165.063
where: short stacking energy: -565.500
Base-Backbone interact. energy: -2.060
local terms energy: -647.845773
where:
bonds (distance) C4'-P energy: -138.640
bonds (distance) P-C4' energy: -140.847
flat angles C4'-P-C4' energy: -134.413
flat angles P-C4'-P energy: -103.280
tors. eta vs tors. theta energy: -130.666
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: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1735.919960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.919960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.919960 (E_RNA)
where:
Base-Base interactions energy: -1086.801
where: short stacking energy: -539.556
Base-Backbone interact. energy: -2.626
local terms energy: -646.492577
where:
bonds (distance) C4'-P energy: -134.338
bonds (distance) P-C4' energy: -145.546
flat angles C4'-P-C4' energy: -142.470
flat angles P-C4'-P energy: -80.812
tors. eta vs tors. theta energy: -143.327
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: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1550.505590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.505590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.505590 (E_RNA)
where:
Base-Base interactions energy: -956.956
where: short stacking energy: -512.118
Base-Backbone interact. energy: 1.065
local terms energy: -594.614938
where:
bonds (distance) C4'-P energy: -119.073
bonds (distance) P-C4' energy: -124.448
flat angles C4'-P-C4' energy: -127.044
flat angles P-C4'-P energy: -98.291
tors. eta vs tors. theta energy: -125.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1499.207466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.207466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.207466 (E_RNA)
where:
Base-Base interactions energy: -942.904
where: short stacking energy: -465.950
Base-Backbone interact. energy: -2.491
local terms energy: -553.812480
where:
bonds (distance) C4'-P energy: -122.419
bonds (distance) P-C4' energy: -130.916
flat angles C4'-P-C4' energy: -123.775
flat angles P-C4'-P energy: -73.371
tors. eta vs tors. theta energy: -103.332
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: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1246.776065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.776065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.776065 (E_RNA)
where:
Base-Base interactions energy: -785.672
where: short stacking energy: -388.092
Base-Backbone interact. energy: -1.035
local terms energy: -460.069274
where:
bonds (distance) C4'-P energy: -118.767
bonds (distance) P-C4' energy: -107.246
flat angles C4'-P-C4' energy: -100.739
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -55.398
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: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1128.563332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.563332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.563332 (E_RNA)
where:
Base-Base interactions energy: -667.245
where: short stacking energy: -344.892
Base-Backbone interact. energy: 1.728
local terms energy: -463.046569
where:
bonds (distance) C4'-P energy: -98.134
bonds (distance) P-C4' energy: -119.127
flat angles C4'-P-C4' energy: -111.279
flat angles P-C4'-P energy: -79.450
tors. eta vs tors. theta energy: -55.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -952.583209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.583209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.583209 (E_RNA)
where:
Base-Base interactions energy: -512.542
where: short stacking energy: -272.171
Base-Backbone interact. energy: -2.615
local terms energy: -437.425899
where:
bonds (distance) C4'-P energy: -125.630
bonds (distance) P-C4' energy: -123.076
flat angles C4'-P-C4' energy: -117.764
flat angles P-C4'-P energy: -55.468
tors. eta vs tors. theta energy: -15.487
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: 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: -2254.649636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.649636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.649636 (E_RNA)
where:
Base-Base interactions energy: -1515.611
where: short stacking energy: -681.645
Base-Backbone interact. energy: -2.394
local terms energy: -736.644241
where:
bonds (distance) C4'-P energy: -150.650
bonds (distance) P-C4' energy: -147.655
flat angles C4'-P-C4' energy: -167.510
flat angles P-C4'-P energy: -92.775
tors. eta vs tors. theta energy: -178.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2038.723271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.723271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.723271 (E_RNA)
where:
Base-Base interactions energy: -1340.786
where: short stacking energy: -587.724
Base-Backbone interact. energy: -0.484
local terms energy: -697.453317
where:
bonds (distance) C4'-P energy: -132.211
bonds (distance) P-C4' energy: -143.593
flat angles C4'-P-C4' energy: -164.865
flat angles P-C4'-P energy: -103.255
tors. eta vs tors. theta energy: -153.529
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: 32
Temperature: 1.000000
Total energy: -1849.327883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.327883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.327883 (E_RNA)
where:
Base-Base interactions energy: -1195.466
where: short stacking energy: -584.974
Base-Backbone interact. energy: -0.318
local terms energy: -653.543837
where:
bonds (distance) C4'-P energy: -134.557
bonds (distance) P-C4' energy: -157.887
flat angles C4'-P-C4' energy: -142.970
flat angles P-C4'-P energy: -91.816
tors. eta vs tors. theta energy: -126.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1676.081910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.081910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.081910 (E_RNA)
where:
Base-Base interactions energy: -1055.009
where: short stacking energy: -529.694
Base-Backbone interact. energy: -1.422
local terms energy: -619.650319
where:
bonds (distance) C4'-P energy: -129.332
bonds (distance) P-C4' energy: -118.595
flat angles C4'-P-C4' energy: -147.073
flat angles P-C4'-P energy: -92.142
tors. eta vs tors. theta energy: -132.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1561.971143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.971143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.971143 (E_RNA)
where:
Base-Base interactions energy: -977.647
where: short stacking energy: -507.569
Base-Backbone interact. energy: -2.724
local terms energy: -581.600522
where:
bonds (distance) C4'-P energy: -136.828
bonds (distance) P-C4' energy: -109.425
flat angles C4'-P-C4' energy: -144.453
flat angles P-C4'-P energy: -79.943
tors. eta vs tors. theta energy: -110.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1579.647232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.647232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.647232 (E_RNA)
where:
Base-Base interactions energy: -1004.077
where: short stacking energy: -494.424
Base-Backbone interact. energy: -1.633
local terms energy: -573.937192
where:
bonds (distance) C4'-P energy: -102.099
bonds (distance) P-C4' energy: -134.032
flat angles C4'-P-C4' energy: -139.363
flat angles P-C4'-P energy: -81.617
tors. eta vs tors. theta energy: -116.826
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: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1245.843378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.843378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.843378 (E_RNA)
where:
Base-Base interactions energy: -785.662
where: short stacking energy: -377.208
Base-Backbone interact. energy: 0.438
local terms energy: -460.618808
where:
bonds (distance) C4'-P energy: -109.520
bonds (distance) P-C4' energy: -104.031
flat angles C4'-P-C4' energy: -103.171
flat angles P-C4'-P energy: -83.737
tors. eta vs tors. theta energy: -60.161
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: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1068.990537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.990537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.990537 (E_RNA)
where:
Base-Base interactions energy: -598.461
where: short stacking energy: -296.837
Base-Backbone interact. energy: -0.750
local terms energy: -469.780311
where:
bonds (distance) C4'-P energy: -122.211
bonds (distance) P-C4' energy: -138.460
flat angles C4'-P-C4' energy: -121.275
flat angles P-C4'-P energy: -63.209
tors. eta vs tors. theta energy: -24.624
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: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -896.822662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.822662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.822662 (E_RNA)
where:
Base-Base interactions energy: -487.871
where: short stacking energy: -279.803
Base-Backbone interact. energy: -3.985
local terms energy: -404.965954
where:
bonds (distance) C4'-P energy: -105.583
bonds (distance) P-C4' energy: -132.611
flat angles C4'-P-C4' energy: -104.514
flat angles P-C4'-P energy: -42.435
tors. eta vs tors. theta energy: -19.822
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: 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: -2289.581073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.581073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.581073 (E_RNA)
where:
Base-Base interactions energy: -1562.656
where: short stacking energy: -667.666
Base-Backbone interact. energy: -5.030
local terms energy: -721.894782
where:
bonds (distance) C4'-P energy: -136.973
bonds (distance) P-C4' energy: -142.400
flat angles C4'-P-C4' energy: -150.460
flat angles P-C4'-P energy: -114.578
tors. eta vs tors. theta energy: -177.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2131.236082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.236082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.236082 (E_RNA)
where:
Base-Base interactions energy: -1412.566
where: short stacking energy: -615.543
Base-Backbone interact. energy: -4.661
local terms energy: -714.009326
where:
bonds (distance) C4'-P energy: -148.037
bonds (distance) P-C4' energy: -144.184
flat angles C4'-P-C4' energy: -146.078
flat angles P-C4'-P energy: -101.599
tors. eta vs tors. theta energy: -174.112
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: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1924.385171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.385171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.385171 (E_RNA)
where:
Base-Base interactions energy: -1214.772
where: short stacking energy: -581.246
Base-Backbone interact. energy: 2.811
local terms energy: -712.423714
where:
bonds (distance) C4'-P energy: -146.813
bonds (distance) P-C4' energy: -159.732
flat angles C4'-P-C4' energy: -147.652
flat angles P-C4'-P energy: -109.858
tors. eta vs tors. theta energy: -148.369
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: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1698.832878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.832878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.832878 (E_RNA)
where:
Base-Base interactions energy: -1045.612
where: short stacking energy: -498.065
Base-Backbone interact. energy: -4.036
local terms energy: -649.184912
where:
bonds (distance) C4'-P energy: -135.610
bonds (distance) P-C4' energy: -124.448
flat angles C4'-P-C4' energy: -140.378
flat angles P-C4'-P energy: -104.801
tors. eta vs tors. theta energy: -143.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1618.291378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.291378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.291378 (E_RNA)
where:
Base-Base interactions energy: -1029.613
where: short stacking energy: -501.997
Base-Backbone interact. energy: 0.167
local terms energy: -588.845624
where:
bonds (distance) C4'-P energy: -112.411
bonds (distance) P-C4' energy: -144.234
flat angles C4'-P-C4' energy: -125.165
flat angles P-C4'-P energy: -79.017
tors. eta vs tors. theta energy: -128.018
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: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1600.391400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.391400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.391400 (E_RNA)
where:
Base-Base interactions energy: -1006.678
where: short stacking energy: -477.848
Base-Backbone interact. energy: 1.006
local terms energy: -594.718832
where:
bonds (distance) C4'-P energy: -124.690
bonds (distance) P-C4' energy: -134.813
flat angles C4'-P-C4' energy: -125.012
flat angles P-C4'-P energy: -90.729
tors. eta vs tors. theta energy: -119.473
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: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1203.088831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.088831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.088831 (E_RNA)
where:
Base-Base interactions energy: -696.222
where: short stacking energy: -347.159
Base-Backbone interact. energy: -1.987
local terms energy: -504.879627
where:
bonds (distance) C4'-P energy: -124.531
bonds (distance) P-C4' energy: -135.129
flat angles C4'-P-C4' energy: -127.486
flat angles P-C4'-P energy: -68.651
tors. eta vs tors. theta energy: -49.083
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: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1084.644144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.644144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.644144 (E_RNA)
where:
Base-Base interactions energy: -624.591
where: short stacking energy: -310.859
Base-Backbone interact. energy: 0.941
local terms energy: -460.994435
where:
bonds (distance) C4'-P energy: -119.558
bonds (distance) P-C4' energy: -119.273
flat angles C4'-P-C4' energy: -109.906
flat angles P-C4'-P energy: -71.358
tors. eta vs tors. theta energy: -40.899
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: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -910.128337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.128337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.128337 (E_RNA)
where:
Base-Base interactions energy: -481.705
where: short stacking energy: -282.344
Base-Backbone interact. energy: 2.226
local terms energy: -430.649046
where:
bonds (distance) C4'-P energy: -112.578
bonds (distance) P-C4' energy: -138.560
flat angles C4'-P-C4' energy: -119.527
flat angles P-C4'-P energy: -45.801
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: 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: -2306.662517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.662517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.662517 (E_RNA)
where:
Base-Base interactions energy: -1568.604
where: short stacking energy: -689.941
Base-Backbone interact. energy: 1.505
local terms energy: -739.563104
where:
bonds (distance) C4'-P energy: -141.515
bonds (distance) P-C4' energy: -142.259
flat angles C4'-P-C4' energy: -170.872
flat angles P-C4'-P energy: -102.001
tors. eta vs tors. theta energy: -182.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2157.621166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.621166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.621166 (E_RNA)
where:
Base-Base interactions energy: -1435.331
where: short stacking energy: -646.979
Base-Backbone interact. energy: -0.213
local terms energy: -722.077297
where:
bonds (distance) C4'-P energy: -141.164
bonds (distance) P-C4' energy: -147.955
flat angles C4'-P-C4' energy: -166.381
flat angles P-C4'-P energy: -94.892
tors. eta vs tors. theta energy: -171.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1886.866745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.866745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.866745 (E_RNA)
where:
Base-Base interactions energy: -1203.200
where: short stacking energy: -584.772
Base-Backbone interact. energy: 1.063
local terms energy: -684.729842
where:
bonds (distance) C4'-P energy: -144.653
bonds (distance) P-C4' energy: -141.966
flat angles C4'-P-C4' energy: -157.431
flat angles P-C4'-P energy: -91.151
tors. eta vs tors. theta energy: -149.528
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: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1702.795112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.795112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.795112 (E_RNA)
where:
Base-Base interactions energy: -1055.588
where: short stacking energy: -516.960
Base-Backbone interact. energy: -0.364
local terms energy: -646.842725
where:
bonds (distance) C4'-P energy: -129.190
bonds (distance) P-C4' energy: -150.462
flat angles C4'-P-C4' energy: -136.334
flat angles P-C4'-P energy: -98.031
tors. eta vs tors. theta energy: -132.825
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: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1613.584825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.584825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.584825 (E_RNA)
where:
Base-Base interactions energy: -1013.123
where: short stacking energy: -467.326
Base-Backbone interact. energy: -1.858
local terms energy: -598.603777
where:
bonds (distance) C4'-P energy: -118.780
bonds (distance) P-C4' energy: -132.023
flat angles C4'-P-C4' energy: -142.621
flat angles P-C4'-P energy: -100.403
tors. eta vs tors. theta energy: -104.777
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: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1562.746158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.746158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.746158 (E_RNA)
where:
Base-Base interactions energy: -1022.847
where: short stacking energy: -485.576
Base-Backbone interact. energy: -4.023
local terms energy: -535.876449
where:
bonds (distance) C4'-P energy: -108.389
bonds (distance) P-C4' energy: -120.030
flat angles C4'-P-C4' energy: -120.447
flat angles P-C4'-P energy: -80.969
tors. eta vs tors. theta energy: -106.042
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: 34
Temperature: 1.200000
Total energy: -1286.773138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.773138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.773138 (E_RNA)
where:
Base-Base interactions energy: -771.867
where: short stacking energy: -367.807
Base-Backbone interact. energy: 0.141
local terms energy: -515.047873
where:
bonds (distance) C4'-P energy: -118.951
bonds (distance) P-C4' energy: -127.990
flat angles C4'-P-C4' energy: -120.730
flat angles P-C4'-P energy: -76.685
tors. eta vs tors. theta energy: -70.692
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: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1063.610679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.610679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.610679 (E_RNA)
where:
Base-Base interactions energy: -593.064
where: short stacking energy: -301.506
Base-Backbone interact. energy: -0.762
local terms energy: -469.785156
where:
bonds (distance) C4'-P energy: -110.567
bonds (distance) P-C4' energy: -132.546
flat angles C4'-P-C4' energy: -123.688
flat angles P-C4'-P energy: -70.931
tors. eta vs tors. theta energy: -32.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -960.857940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.857940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.857940 (E_RNA)
where:
Base-Base interactions energy: -535.250
where: short stacking energy: -294.646
Base-Backbone interact. energy: 8.272
local terms energy: -433.879797
where:
bonds (distance) C4'-P energy: -98.640
bonds (distance) P-C4' energy: -128.713
flat angles C4'-P-C4' energy: -106.181
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -32.993
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: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -611.097449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.097449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.097449 (E_RNA)
where:
Base-Base interactions energy: -229.881
where: short stacking energy: -184.582
Base-Backbone interact. energy: -2.501
local terms energy: -378.715966
where:
bonds (distance) C4'-P energy: -120.291
bonds (distance) P-C4' energy: -115.506
flat angles C4'-P-C4' energy: -101.968
flat angles P-C4'-P energy: -75.505
tors. eta vs tors. theta energy: 34.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2318.787591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.787591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.787591 (E_RNA)
where:
Base-Base interactions energy: -1585.205
where: short stacking energy: -710.850
Base-Backbone interact. energy: -3.903
local terms energy: -729.680046
where:
bonds (distance) C4'-P energy: -132.117
bonds (distance) P-C4' energy: -136.580
flat angles C4'-P-C4' energy: -162.740
flat angles P-C4'-P energy: -105.196
tors. eta vs tors. theta energy: -193.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2164.990743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.990743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.990743 (E_RNA)
where:
Base-Base interactions energy: -1447.132
where: short stacking energy: -630.628
Base-Backbone interact. energy: -2.987
local terms energy: -714.872036
where:
bonds (distance) C4'-P energy: -142.700
bonds (distance) P-C4' energy: -143.191
flat angles C4'-P-C4' energy: -161.188
flat angles P-C4'-P energy: -102.649
tors. eta vs tors. theta energy: -165.145
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: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1963.879069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.879069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.879069 (E_RNA)
where:
Base-Base interactions energy: -1285.383
where: short stacking energy: -618.300
Base-Backbone interact. energy: -3.466
local terms energy: -675.029816
where:
bonds (distance) C4'-P energy: -136.694
bonds (distance) P-C4' energy: -131.091
flat angles C4'-P-C4' energy: -167.193
flat angles P-C4'-P energy: -73.493
tors. eta vs tors. theta energy: -166.558
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: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1722.522023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.522023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.522023 (E_RNA)
where:
Base-Base interactions energy: -1106.989
where: short stacking energy: -527.230
Base-Backbone interact. energy: -2.894
local terms energy: -612.639361
where:
bonds (distance) C4'-P energy: -127.624
bonds (distance) P-C4' energy: -124.293
flat angles C4'-P-C4' energy: -139.811
flat angles P-C4'-P energy: -98.006
tors. eta vs tors. theta energy: -122.905
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: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1698.128492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.128492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.128492 (E_RNA)
where:
Base-Base interactions energy: -1105.809
where: short stacking energy: -518.522
Base-Backbone interact. energy: -0.754
local terms energy: -591.565414
where:
bonds (distance) C4'-P energy: -112.318
bonds (distance) P-C4' energy: -137.673
flat angles C4'-P-C4' energy: -144.229
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -114.789
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: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1599.426525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.426525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.426525 (E_RNA)
where:
Base-Base interactions energy: -972.002
where: short stacking energy: -481.617
Base-Backbone interact. energy: -2.595
local terms energy: -624.829325
where:
bonds (distance) C4'-P energy: -137.809
bonds (distance) P-C4' energy: -131.456
flat angles C4'-P-C4' energy: -147.431
flat angles P-C4'-P energy: -87.981
tors. eta vs tors. theta energy: -120.152
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: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1310.886939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.886939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.886939 (E_RNA)
where:
Base-Base interactions energy: -777.724
where: short stacking energy: -361.465
Base-Backbone interact. energy: -0.037
local terms energy: -533.126736
where:
bonds (distance) C4'-P energy: -131.741
bonds (distance) P-C4' energy: -122.584
flat angles C4'-P-C4' energy: -125.309
flat angles P-C4'-P energy: -95.303
tors. eta vs tors. theta energy: -58.189
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: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -977.602581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.602581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.602581 (E_RNA)
where:
Base-Base interactions energy: -538.781
where: short stacking energy: -284.663
Base-Backbone interact. energy: 1.858
local terms energy: -440.680225
where:
bonds (distance) C4'-P energy: -123.204
bonds (distance) P-C4' energy: -114.773
flat angles C4'-P-C4' energy: -105.931
flat angles P-C4'-P energy: -68.843
tors. eta vs tors. theta energy: -27.929
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1010.014166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.014166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.014166 (E_RNA)
where:
Base-Base interactions energy: -559.866
where: short stacking energy: -285.714
Base-Backbone interact. energy: -0.701
local terms energy: -449.447706
where:
bonds (distance) C4'-P energy: -122.103
bonds (distance) P-C4' energy: -120.167
flat angles C4'-P-C4' energy: -118.107
flat angles P-C4'-P energy: -69.821
tors. eta vs tors. theta energy: -19.251
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -603.042854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.042854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.042854 (E_RNA)
where:
Base-Base interactions energy: -251.423
where: short stacking energy: -167.528
Base-Backbone interact. energy: -4.096
local terms energy: -347.524254
where:
bonds (distance) C4'-P energy: -111.157
bonds (distance) P-C4' energy: -113.787
flat angles C4'-P-C4' energy: -118.079
flat angles P-C4'-P energy: -42.501
tors. eta vs tors. theta energy: 38.000
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: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2345.422654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.422654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.422654 (E_RNA)
where:
Base-Base interactions energy: -1572.280
where: short stacking energy: -706.308
Base-Backbone interact. energy: -5.865
local terms energy: -767.276900
where:
bonds (distance) C4'-P energy: -153.594
bonds (distance) P-C4' energy: -154.168
flat angles C4'-P-C4' energy: -155.582
flat angles P-C4'-P energy: -107.569
tors. eta vs tors. theta energy: -196.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2160.897836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.897836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.897836 (E_RNA)
where:
Base-Base interactions energy: -1449.211
where: short stacking energy: -646.605
Base-Backbone interact. energy: -0.655
local terms energy: -711.031518
where:
bonds (distance) C4'-P energy: -135.958
bonds (distance) P-C4' energy: -141.577
flat angles C4'-P-C4' energy: -151.326
flat angles P-C4'-P energy: -109.156
tors. eta vs tors. theta energy: -173.015
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: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1889.930185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.930185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.930185 (E_RNA)
where:
Base-Base interactions energy: -1222.583
where: short stacking energy: -582.484
Base-Backbone interact. energy: -3.525
local terms energy: -663.822665
where:
bonds (distance) C4'-P energy: -130.541
bonds (distance) P-C4' energy: -150.316
flat angles C4'-P-C4' energy: -151.525
flat angles P-C4'-P energy: -88.382
tors. eta vs tors. theta energy: -143.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1723.724019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.724019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.724019 (E_RNA)
where:
Base-Base interactions energy: -1098.992
where: short stacking energy: -527.894
Base-Backbone interact. energy: -0.670
local terms energy: -624.061806
where:
bonds (distance) C4'-P energy: -126.664
bonds (distance) P-C4' energy: -133.387
flat angles C4'-P-C4' energy: -156.452
flat angles P-C4'-P energy: -79.676
tors. eta vs tors. theta energy: -127.883
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: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1712.465442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.465442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.465442 (E_RNA)
where:
Base-Base interactions energy: -1084.162
where: short stacking energy: -546.397
Base-Backbone interact. energy: -1.251
local terms energy: -627.052650
where:
bonds (distance) C4'-P energy: -118.647
bonds (distance) P-C4' energy: -134.691
flat angles C4'-P-C4' energy: -137.158
flat angles P-C4'-P energy: -96.895
tors. eta vs tors. theta energy: -139.662
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: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1550.266604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.266604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.266604 (E_RNA)
where:
Base-Base interactions energy: -964.069
where: short stacking energy: -459.595
Base-Backbone interact. energy: 0.955
local terms energy: -587.152736
where:
bonds (distance) C4'-P energy: -138.422
bonds (distance) P-C4' energy: -127.782
flat angles C4'-P-C4' energy: -128.936
flat angles P-C4'-P energy: -79.796
tors. eta vs tors. theta energy: -112.217
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: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1318.848792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.848792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.848792 (E_RNA)
where:
Base-Base interactions energy: -787.603
where: short stacking energy: -399.718
Base-Backbone interact. energy: -4.088
local terms energy: -527.157879
where:
bonds (distance) C4'-P energy: -135.102
bonds (distance) P-C4' energy: -121.353
flat angles C4'-P-C4' energy: -133.639
flat angles P-C4'-P energy: -63.196
tors. eta vs tors. theta energy: -73.867
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: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -999.369280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.369280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.369280 (E_RNA)
where:
Base-Base interactions energy: -543.722
where: short stacking energy: -275.136
Base-Backbone interact. energy: -3.670
local terms energy: -451.977129
where:
bonds (distance) C4'-P energy: -118.227
bonds (distance) P-C4' energy: -118.463
flat angles C4'-P-C4' energy: -110.112
flat angles P-C4'-P energy: -67.584
tors. eta vs tors. theta energy: -37.591
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: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1015.821722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.821722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.821722 (E_RNA)
where:
Base-Base interactions energy: -591.882
where: short stacking energy: -297.704
Base-Backbone interact. energy: 3.508
local terms energy: -427.448085
where:
bonds (distance) C4'-P energy: -118.456
bonds (distance) P-C4' energy: -117.186
flat angles C4'-P-C4' energy: -93.504
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: -31.565
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: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -629.136189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.136189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.136189 (E_RNA)
where:
Base-Base interactions energy: -264.617
where: short stacking energy: -181.169
Base-Backbone interact. energy: 2.589
local terms energy: -367.108566
where:
bonds (distance) C4'-P energy: -108.190
bonds (distance) P-C4' energy: -127.660
flat angles C4'-P-C4' energy: -93.753
flat angles P-C4'-P energy: -60.894
tors. eta vs tors. theta energy: 23.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2362.333733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.333733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.333733 (E_RNA)
where:
Base-Base interactions energy: -1620.980
where: short stacking energy: -742.291
Base-Backbone interact. energy: -2.478
local terms energy: -738.876105
where:
bonds (distance) C4'-P energy: -142.231
bonds (distance) P-C4' energy: -139.958
flat angles C4'-P-C4' energy: -154.486
flat angles P-C4'-P energy: -100.614
tors. eta vs tors. theta energy: -201.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2136.889350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.889350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.889350 (E_RNA)
where:
Base-Base interactions energy: -1414.398
where: short stacking energy: -623.578
Base-Backbone interact. energy: -2.804
local terms energy: -719.686928
where:
bonds (distance) C4'-P energy: -155.725
bonds (distance) P-C4' energy: -147.186
flat angles C4'-P-C4' energy: -160.999
flat angles P-C4'-P energy: -94.656
tors. eta vs tors. theta energy: -161.120
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: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1978.085656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.085656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.085656 (E_RNA)
where:
Base-Base interactions energy: -1281.465
where: short stacking energy: -585.465
Base-Backbone interact. energy: -0.755
local terms energy: -695.866061
where:
bonds (distance) C4'-P energy: -144.852
bonds (distance) P-C4' energy: -141.776
flat angles C4'-P-C4' energy: -161.851
flat angles P-C4'-P energy: -95.307
tors. eta vs tors. theta energy: -152.081
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: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1742.157965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.157965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.157965 (E_RNA)
where:
Base-Base interactions energy: -1100.959
where: short stacking energy: -502.026
Base-Backbone interact. energy: -1.059
local terms energy: -640.140025
where:
bonds (distance) C4'-P energy: -147.588
bonds (distance) P-C4' energy: -135.800
flat angles C4'-P-C4' energy: -141.002
flat angles P-C4'-P energy: -86.628
tors. eta vs tors. theta energy: -129.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1727.829887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.829887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.829887 (E_RNA)
where:
Base-Base interactions energy: -1105.796
where: short stacking energy: -513.206
Base-Backbone interact. energy: 3.667
local terms energy: -625.700496
where:
bonds (distance) C4'-P energy: -112.186
bonds (distance) P-C4' energy: -158.940
flat angles C4'-P-C4' energy: -130.640
flat angles P-C4'-P energy: -93.291
tors. eta vs tors. theta energy: -130.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1517.704948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.704948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.704948 (E_RNA)
where:
Base-Base interactions energy: -950.218
where: short stacking energy: -457.872
Base-Backbone interact. energy: -3.189
local terms energy: -564.297672
where:
bonds (distance) C4'-P energy: -111.314
bonds (distance) P-C4' energy: -132.743
flat angles C4'-P-C4' energy: -127.187
flat angles P-C4'-P energy: -88.773
tors. eta vs tors. theta energy: -104.280
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: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1251.153179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.153179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.153179 (E_RNA)
where:
Base-Base interactions energy: -745.757
where: short stacking energy: -360.778
Base-Backbone interact. energy: -4.396
local terms energy: -501.000670
where:
bonds (distance) C4'-P energy: -133.979
bonds (distance) P-C4' energy: -119.246
flat angles C4'-P-C4' energy: -127.463
flat angles P-C4'-P energy: -75.175
tors. eta vs tors. theta energy: -45.137
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: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1105.619804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.619804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.619804 (E_RNA)
where:
Base-Base interactions energy: -641.902
where: short stacking energy: -345.963
Base-Backbone interact. energy: -1.742
local terms energy: -461.975321
where:
bonds (distance) C4'-P energy: -115.151
bonds (distance) P-C4' energy: -131.852
flat angles C4'-P-C4' energy: -104.545
flat angles P-C4'-P energy: -67.080
tors. eta vs tors. theta energy: -43.347
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: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -924.004838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.004838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.004838 (E_RNA)
where:
Base-Base interactions energy: -517.299
where: short stacking energy: -283.895
Base-Backbone interact. energy: -0.913
local terms energy: -405.793357
where:
bonds (distance) C4'-P energy: -123.167
bonds (distance) P-C4' energy: -124.094
flat angles C4'-P-C4' energy: -88.948
flat angles P-C4'-P energy: -57.492
tors. eta vs tors. theta energy: -12.093
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: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -557.920133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.920133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.920133 (E_RNA)
where:
Base-Base interactions energy: -190.165
where: short stacking energy: -150.782
Base-Backbone interact. energy: 0.412
local terms energy: -368.167258
where:
bonds (distance) C4'-P energy: -129.431
bonds (distance) P-C4' energy: -127.181
flat angles C4'-P-C4' energy: -90.846
flat angles P-C4'-P energy: -66.093
tors. eta vs tors. theta energy: 45.384
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: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2309.846740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.846740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.846740 (E_RNA)
where:
Base-Base interactions energy: -1554.083
where: short stacking energy: -673.486
Base-Backbone interact. energy: -5.891
local terms energy: -749.872640
where:
bonds (distance) C4'-P energy: -151.829
bonds (distance) P-C4' energy: -152.528
flat angles C4'-P-C4' energy: -152.770
flat angles P-C4'-P energy: -101.903
tors. eta vs tors. theta energy: -190.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2148.238420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.238420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.238420 (E_RNA)
where:
Base-Base interactions energy: -1435.856
where: short stacking energy: -644.142
Base-Backbone interact. energy: -1.469
local terms energy: -710.912916
where:
bonds (distance) C4'-P energy: -150.304
bonds (distance) P-C4' energy: -138.420
flat angles C4'-P-C4' energy: -145.431
flat angles P-C4'-P energy: -105.797
tors. eta vs tors. theta energy: -170.960
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: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1957.256855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.256855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.256855 (E_RNA)
where:
Base-Base interactions energy: -1272.858
where: short stacking energy: -579.744
Base-Backbone interact. energy: -1.942
local terms energy: -682.457309
where:
bonds (distance) C4'-P energy: -140.140
bonds (distance) P-C4' energy: -137.528
flat angles C4'-P-C4' energy: -153.234
flat angles P-C4'-P energy: -102.769
tors. eta vs tors. theta energy: -148.785
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: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1752.512277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.512277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.512277 (E_RNA)
where:
Base-Base interactions energy: -1094.627
where: short stacking energy: -516.817
Base-Backbone interact. energy: -1.735
local terms energy: -656.150674
where:
bonds (distance) C4'-P energy: -138.077
bonds (distance) P-C4' energy: -137.026
flat angles C4'-P-C4' energy: -154.675
flat angles P-C4'-P energy: -91.125
tors. eta vs tors. theta energy: -135.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1769.062302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.062302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.062302 (E_RNA)
where:
Base-Base interactions energy: -1130.566
where: short stacking energy: -544.862
Base-Backbone interact. energy: 2.262
local terms energy: -640.757769
where:
bonds (distance) C4'-P energy: -133.393
bonds (distance) P-C4' energy: -135.554
flat angles C4'-P-C4' energy: -149.966
flat angles P-C4'-P energy: -87.831
tors. eta vs tors. theta energy: -134.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1561.805188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.805188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.805188 (E_RNA)
where:
Base-Base interactions energy: -1000.616
where: short stacking energy: -455.984
Base-Backbone interact. energy: 0.458
local terms energy: -561.646902
where:
bonds (distance) C4'-P energy: -138.040
bonds (distance) P-C4' energy: -140.743
flat angles C4'-P-C4' energy: -96.434
flat angles P-C4'-P energy: -91.075
tors. eta vs tors. theta energy: -95.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1342.658355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.658355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.658355 (E_RNA)
where:
Base-Base interactions energy: -829.363
where: short stacking energy: -364.081
Base-Backbone interact. energy: -2.232
local terms energy: -511.063410
where:
bonds (distance) C4'-P energy: -107.149
bonds (distance) P-C4' energy: -143.154
flat angles C4'-P-C4' energy: -122.957
flat angles P-C4'-P energy: -87.375
tors. eta vs tors. theta energy: -50.429
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: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1114.766075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.766075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.766075 (E_RNA)
where:
Base-Base interactions energy: -662.222
where: short stacking energy: -312.569
Base-Backbone interact. energy: 0.267
local terms energy: -452.811092
where:
bonds (distance) C4'-P energy: -123.445
bonds (distance) P-C4' energy: -113.833
flat angles C4'-P-C4' energy: -115.091
flat angles P-C4'-P energy: -59.037
tors. eta vs tors. theta energy: -41.405
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: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -908.319139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.319139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.319139 (E_RNA)
where:
Base-Base interactions energy: -485.073
where: short stacking energy: -273.279
Base-Backbone interact. energy: 4.222
local terms energy: -427.468262
where:
bonds (distance) C4'-P energy: -117.260
bonds (distance) P-C4' energy: -134.113
flat angles C4'-P-C4' energy: -107.817
flat angles P-C4'-P energy: -37.792
tors. eta vs tors. theta energy: -30.486
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: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -588.494196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.494196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.494196 (E_RNA)
where:
Base-Base interactions energy: -215.516
where: short stacking energy: -183.342
Base-Backbone interact. energy: 0.381
local terms energy: -373.358881
where:
bonds (distance) C4'-P energy: -112.737
bonds (distance) P-C4' energy: -142.454
flat angles C4'-P-C4' energy: -89.468
flat angles P-C4'-P energy: -41.698
tors. eta vs tors. theta energy: 12.998
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: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2308.709470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.709470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.709470 (E_RNA)
where:
Base-Base interactions energy: -1561.302
where: short stacking energy: -675.751
Base-Backbone interact. energy: -0.669
local terms energy: -746.738838
where:
bonds (distance) C4'-P energy: -139.725
bonds (distance) P-C4' energy: -157.577
flat angles C4'-P-C4' energy: -165.892
flat angles P-C4'-P energy: -99.210
tors. eta vs tors. theta energy: -184.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2163.084967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.084967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.084967 (E_RNA)
where:
Base-Base interactions energy: -1437.332
where: short stacking energy: -647.228
Base-Backbone interact. energy: -3.096
local terms energy: -722.657669
where:
bonds (distance) C4'-P energy: -141.222
bonds (distance) P-C4' energy: -157.362
flat angles C4'-P-C4' energy: -165.595
flat angles P-C4'-P energy: -88.091
tors. eta vs tors. theta energy: -170.388
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: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1959.089803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.089803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.089803 (E_RNA)
where:
Base-Base interactions energy: -1292.903
where: short stacking energy: -575.455
Base-Backbone interact. energy: -2.053
local terms energy: -664.134302
where:
bonds (distance) C4'-P energy: -146.405
bonds (distance) P-C4' energy: -129.017
flat angles C4'-P-C4' energy: -139.421
flat angles P-C4'-P energy: -97.546
tors. eta vs tors. theta energy: -151.745
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: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1737.556720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.556720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.556720 (E_RNA)
where:
Base-Base interactions energy: -1120.336
where: short stacking energy: -520.340
Base-Backbone interact. energy: 1.116
local terms energy: -618.336322
where:
bonds (distance) C4'-P energy: -135.669
bonds (distance) P-C4' energy: -142.784
flat angles C4'-P-C4' energy: -135.296
flat angles P-C4'-P energy: -76.490
tors. eta vs tors. theta energy: -128.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1748.063533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.063533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.063533 (E_RNA)
where:
Base-Base interactions energy: -1169.038
where: short stacking energy: -521.794
Base-Backbone interact. energy: 0.678
local terms energy: -579.703463
where:
bonds (distance) C4'-P energy: -111.919
bonds (distance) P-C4' energy: -124.664
flat angles C4'-P-C4' energy: -143.951
flat angles P-C4'-P energy: -67.543
tors. eta vs tors. theta energy: -131.627
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: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1672.657821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.657821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.657821 (E_RNA)
where:
Base-Base interactions energy: -1067.895
where: short stacking energy: -474.839
Base-Backbone interact. energy: -1.772
local terms energy: -602.990896
where:
bonds (distance) C4'-P energy: -135.208
bonds (distance) P-C4' energy: -126.233
flat angles C4'-P-C4' energy: -134.924
flat angles P-C4'-P energy: -102.057
tors. eta vs tors. theta energy: -104.570
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: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1320.728067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.728067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.728067 (E_RNA)
where:
Base-Base interactions energy: -806.319
where: short stacking energy: -408.162
Base-Backbone interact. energy: 0.444
local terms energy: -514.853628
where:
bonds (distance) C4'-P energy: -128.270
bonds (distance) P-C4' energy: -128.231
flat angles C4'-P-C4' energy: -126.395
flat angles P-C4'-P energy: -71.742
tors. eta vs tors. theta energy: -60.215
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: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1128.015637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.015637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.015637 (E_RNA)
where:
Base-Base interactions energy: -681.864
where: short stacking energy: -311.061
Base-Backbone interact. energy: -3.642
local terms energy: -442.509757
where:
bonds (distance) C4'-P energy: -114.931
bonds (distance) P-C4' energy: -125.539
flat angles C4'-P-C4' energy: -116.073
flat angles P-C4'-P energy: -67.309
tors. eta vs tors. theta energy: -18.657
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: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -886.274648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.274648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.274648 (E_RNA)
where:
Base-Base interactions energy: -444.557
where: short stacking energy: -238.047
Base-Backbone interact. energy: 4.079
local terms energy: -445.796315
where:
bonds (distance) C4'-P energy: -125.983
bonds (distance) P-C4' energy: -130.183
flat angles C4'-P-C4' energy: -123.812
flat angles P-C4'-P energy: -57.563
tors. eta vs tors. theta energy: -8.255
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: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -564.161281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.161281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.161281 (E_RNA)
where:
Base-Base interactions energy: -190.789
where: short stacking energy: -161.049
Base-Backbone interact. energy: 2.934
local terms energy: -376.306527
where:
bonds (distance) C4'-P energy: -113.589
bonds (distance) P-C4' energy: -122.578
flat angles C4'-P-C4' energy: -93.863
flat angles P-C4'-P energy: -64.021
tors. eta vs tors. theta energy: 17.744
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: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2337.020846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.020846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.020846 (E_RNA)
where:
Base-Base interactions energy: -1589.767
where: short stacking energy: -701.654
Base-Backbone interact. energy: -1.861
local terms energy: -745.392883
where:
bonds (distance) C4'-P energy: -136.804
bonds (distance) P-C4' energy: -144.696
flat angles C4'-P-C4' energy: -172.992
flat angles P-C4'-P energy: -101.336
tors. eta vs tors. theta energy: -189.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2144.770490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.770490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.770490 (E_RNA)
where:
Base-Base interactions energy: -1397.593
where: short stacking energy: -644.370
Base-Backbone interact. energy: -2.406
local terms energy: -744.772105
where:
bonds (distance) C4'-P energy: -162.679
bonds (distance) P-C4' energy: -147.162
flat angles C4'-P-C4' energy: -147.842
flat angles P-C4'-P energy: -111.133
tors. eta vs tors. theta energy: -175.957
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: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1939.768409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.768409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.768409 (E_RNA)
where:
Base-Base interactions energy: -1270.770
where: short stacking energy: -597.997
Base-Backbone interact. energy: -1.471
local terms energy: -667.527035
where:
bonds (distance) C4'-P energy: -133.899
bonds (distance) P-C4' energy: -133.126
flat angles C4'-P-C4' energy: -152.830
flat angles P-C4'-P energy: -93.393
tors. eta vs tors. theta energy: -154.278
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: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1777.869724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.869724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.869724 (E_RNA)
where:
Base-Base interactions energy: -1141.056
where: short stacking energy: -538.553
Base-Backbone interact. energy: -4.740
local terms energy: -632.073625
where:
bonds (distance) C4'-P energy: -137.014
bonds (distance) P-C4' energy: -120.783
flat angles C4'-P-C4' energy: -142.508
flat angles P-C4'-P energy: -99.786
tors. eta vs tors. theta energy: -131.983
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: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1800.450456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.450456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.450456 (E_RNA)
where:
Base-Base interactions energy: -1156.446
where: short stacking energy: -529.879
Base-Backbone interact. energy: -0.100
local terms energy: -643.904492
where:
bonds (distance) C4'-P energy: -119.699
bonds (distance) P-C4' energy: -121.570
flat angles C4'-P-C4' energy: -152.138
flat angles P-C4'-P energy: -102.086
tors. eta vs tors. theta energy: -148.411
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: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1691.060354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.060354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.060354 (E_RNA)
where:
Base-Base interactions energy: -1089.633
where: short stacking energy: -481.538
Base-Backbone interact. energy: -0.151
local terms energy: -601.276468
where:
bonds (distance) C4'-P energy: -123.399
bonds (distance) P-C4' energy: -134.997
flat angles C4'-P-C4' energy: -145.809
flat angles P-C4'-P energy: -90.240
tors. eta vs tors. theta energy: -106.831
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: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1205.281629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.281629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.281629 (E_RNA)
where:
Base-Base interactions energy: -733.077
where: short stacking energy: -380.864
Base-Backbone interact. energy: -5.070
local terms energy: -467.135129
where:
bonds (distance) C4'-P energy: -108.790
bonds (distance) P-C4' energy: -116.232
flat angles C4'-P-C4' energy: -133.258
flat angles P-C4'-P energy: -43.572
tors. eta vs tors. theta energy: -65.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1235.930200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.930200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.930200 (E_RNA)
where:
Base-Base interactions energy: -762.229
where: short stacking energy: -372.315
Base-Backbone interact. energy: -2.897
local terms energy: -470.804013
where:
bonds (distance) C4'-P energy: -102.045
bonds (distance) P-C4' energy: -136.480
flat angles C4'-P-C4' energy: -126.794
flat angles P-C4'-P energy: -50.961
tors. eta vs tors. theta energy: -54.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -848.042660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.042660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.042660 (E_RNA)
where:
Base-Base interactions energy: -390.978
where: short stacking energy: -235.617
Base-Backbone interact. energy: -2.609
local terms energy: -454.456098
where:
bonds (distance) C4'-P energy: -119.317
bonds (distance) P-C4' energy: -137.331
flat angles C4'-P-C4' energy: -126.343
flat angles P-C4'-P energy: -72.345
tors. eta vs tors. theta energy: 0.879
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: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -571.023547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.023547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.023547 (E_RNA)
where:
Base-Base interactions energy: -203.435
where: short stacking energy: -139.805
Base-Backbone interact. energy: -3.911
local terms energy: -363.678108
where:
bonds (distance) C4'-P energy: -106.318
bonds (distance) P-C4' energy: -128.404
flat angles C4'-P-C4' energy: -101.997
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: 23.319
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: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2360.506801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.506801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.506801 (E_RNA)
where:
Base-Base interactions energy: -1615.120
where: short stacking energy: -698.014
Base-Backbone interact. energy: -4.029
local terms energy: -741.357317
where:
bonds (distance) C4'-P energy: -138.046
bonds (distance) P-C4' energy: -150.909
flat angles C4'-P-C4' energy: -144.159
flat angles P-C4'-P energy: -119.084
tors. eta vs tors. theta energy: -189.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2128.922113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.922113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.922113 (E_RNA)
where:
Base-Base interactions energy: -1401.178
where: short stacking energy: -654.707
Base-Backbone interact. energy: 0.306
local terms energy: -728.050069
where:
bonds (distance) C4'-P energy: -144.029
bonds (distance) P-C4' energy: -148.407
flat angles C4'-P-C4' energy: -158.749
flat angles P-C4'-P energy: -97.549
tors. eta vs tors. theta energy: -179.316
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: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1928.874355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.874355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.874355 (E_RNA)
where:
Base-Base interactions energy: -1274.331
where: short stacking energy: -579.314
Base-Backbone interact. energy: -2.218
local terms energy: -652.325350
where:
bonds (distance) C4'-P energy: -127.732
bonds (distance) P-C4' energy: -142.510
flat angles C4'-P-C4' energy: -138.346
flat angles P-C4'-P energy: -90.710
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: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1880.930301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.930301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.930301 (E_RNA)
where:
Base-Base interactions energy: -1219.490
where: short stacking energy: -560.834
Base-Backbone interact. energy: -3.725
local terms energy: -657.715950
where:
bonds (distance) C4'-P energy: -121.363
bonds (distance) P-C4' energy: -135.912
flat angles C4'-P-C4' energy: -159.588
flat angles P-C4'-P energy: -88.414
tors. eta vs tors. theta energy: -152.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1719.207350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.207350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.207350 (E_RNA)
where:
Base-Base interactions energy: -1114.581
where: short stacking energy: -505.204
Base-Backbone interact. energy: 1.159
local terms energy: -605.786213
where:
bonds (distance) C4'-P energy: -123.954
bonds (distance) P-C4' energy: -140.548
flat angles C4'-P-C4' energy: -139.269
flat angles P-C4'-P energy: -80.314
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: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1691.190192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.190192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.190192 (E_RNA)
where:
Base-Base interactions energy: -1076.140
where: short stacking energy: -520.604
Base-Backbone interact. energy: -2.149
local terms energy: -612.900801
where:
bonds (distance) C4'-P energy: -119.281
bonds (distance) P-C4' energy: -129.885
flat angles C4'-P-C4' energy: -146.645
flat angles P-C4'-P energy: -93.562
tors. eta vs tors. theta energy: -123.529
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: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1291.947450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.947450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.947450 (E_RNA)
where:
Base-Base interactions energy: -794.106
where: short stacking energy: -399.358
Base-Backbone interact. energy: -2.118
local terms energy: -495.723218
where:
bonds (distance) C4'-P energy: -106.785
bonds (distance) P-C4' energy: -121.668
flat angles C4'-P-C4' energy: -125.495
flat angles P-C4'-P energy: -86.229
tors. eta vs tors. theta energy: -55.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1195.137568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.137568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.137568 (E_RNA)
where:
Base-Base interactions energy: -697.632
where: short stacking energy: -330.258
Base-Backbone interact. energy: -1.626
local terms energy: -495.879681
where:
bonds (distance) C4'-P energy: -126.279
bonds (distance) P-C4' energy: -138.468
flat angles C4'-P-C4' energy: -119.553
flat angles P-C4'-P energy: -77.892
tors. eta vs tors. theta energy: -33.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -860.555796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.555796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.555796 (E_RNA)
where:
Base-Base interactions energy: -416.416
where: short stacking energy: -248.991
Base-Backbone interact. energy: 1.868
local terms energy: -446.007497
where:
bonds (distance) C4'-P energy: -135.124
bonds (distance) P-C4' energy: -125.895
flat angles C4'-P-C4' energy: -115.773
flat angles P-C4'-P energy: -61.394
tors. eta vs tors. theta energy: -7.822
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: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -551.118350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.118350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.118350 (E_RNA)
where:
Base-Base interactions energy: -206.532
where: short stacking energy: -174.313
Base-Backbone interact. energy: 0.972
local terms energy: -345.558259
where:
bonds (distance) C4'-P energy: -109.006
bonds (distance) P-C4' energy: -128.928
flat angles C4'-P-C4' energy: -91.247
flat angles P-C4'-P energy: -43.058
tors. eta vs tors. theta energy: 26.680
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: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2346.511032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.511032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.511032 (E_RNA)
where:
Base-Base interactions energy: -1634.870
where: short stacking energy: -703.250
Base-Backbone interact. energy: -2.668
local terms energy: -708.973782
where:
bonds (distance) C4'-P energy: -136.485
bonds (distance) P-C4' energy: -133.536
flat angles C4'-P-C4' energy: -151.875
flat angles P-C4'-P energy: -101.051
tors. eta vs tors. theta energy: -186.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2194.340493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.340493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.340493 (E_RNA)
where:
Base-Base interactions energy: -1442.773
where: short stacking energy: -659.321
Base-Backbone interact. energy: -0.008
local terms energy: -751.559680
where:
bonds (distance) C4'-P energy: -148.784
bonds (distance) P-C4' energy: -150.902
flat angles C4'-P-C4' energy: -161.709
flat angles P-C4'-P energy: -112.272
tors. eta vs tors. theta energy: -177.893
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: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1947.463654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.463654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.463654 (E_RNA)
where:
Base-Base interactions energy: -1263.013
where: short stacking energy: -599.047
Base-Backbone interact. energy: -2.133
local terms energy: -682.318203
where:
bonds (distance) C4'-P energy: -119.638
bonds (distance) P-C4' energy: -136.334
flat angles C4'-P-C4' energy: -146.249
flat angles P-C4'-P energy: -93.652
tors. eta vs tors. theta energy: -186.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1839.554460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.554460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.554460 (E_RNA)
where:
Base-Base interactions energy: -1171.556
where: short stacking energy: -532.494
Base-Backbone interact. energy: -5.718
local terms energy: -662.280504
where:
bonds (distance) C4'-P energy: -136.178
bonds (distance) P-C4' energy: -148.419
flat angles C4'-P-C4' energy: -142.524
flat angles P-C4'-P energy: -87.808
tors. eta vs tors. theta energy: -147.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1698.308377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.308377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.308377 (E_RNA)
where:
Base-Base interactions energy: -1110.519
where: short stacking energy: -516.834
Base-Backbone interact. energy: -1.919
local terms energy: -585.870480
where:
bonds (distance) C4'-P energy: -88.312
bonds (distance) P-C4' energy: -142.273
flat angles C4'-P-C4' energy: -142.306
flat angles P-C4'-P energy: -91.131
tors. eta vs tors. theta energy: -121.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1546.253965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.253965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.253965 (E_RNA)
where:
Base-Base interactions energy: -995.433
where: short stacking energy: -474.432
Base-Backbone interact. energy: 1.528
local terms energy: -552.349066
where:
bonds (distance) C4'-P energy: -108.634
bonds (distance) P-C4' energy: -131.466
flat angles C4'-P-C4' energy: -133.938
flat angles P-C4'-P energy: -88.826
tors. eta vs tors. theta energy: -89.485
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: 42
Temperature: 1.200000
Total energy: -1287.576668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.576668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.576668 (E_RNA)
where:
Base-Base interactions energy: -752.961
where: short stacking energy: -384.660
Base-Backbone interact. energy: -2.788
local terms energy: -531.828185
where:
bonds (distance) C4'-P energy: -127.444
bonds (distance) P-C4' energy: -129.963
flat angles C4'-P-C4' energy: -127.434
flat angles P-C4'-P energy: -82.928
tors. eta vs tors. theta energy: -64.059
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: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1145.419872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.419872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.419872 (E_RNA)
where:
Base-Base interactions energy: -686.658
where: short stacking energy: -348.985
Base-Backbone interact. energy: 1.537
local terms energy: -460.298898
where:
bonds (distance) C4'-P energy: -119.588
bonds (distance) P-C4' energy: -121.902
flat angles C4'-P-C4' energy: -105.560
flat angles P-C4'-P energy: -64.962
tors. eta vs tors. theta energy: -48.288
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: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -927.179640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.179640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.179640 (E_RNA)
where:
Base-Base interactions energy: -491.244
where: short stacking energy: -295.350
Base-Backbone interact. energy: -1.412
local terms energy: -434.523256
where:
bonds (distance) C4'-P energy: -116.692
bonds (distance) P-C4' energy: -107.718
flat angles C4'-P-C4' energy: -101.300
flat angles P-C4'-P energy: -67.484
tors. eta vs tors. theta energy: -41.329
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: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -548.250771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.250771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.250771 (E_RNA)
where:
Base-Base interactions energy: -169.940
where: short stacking energy: -150.415
Base-Backbone interact. energy: 8.089
local terms energy: -386.399845
where:
bonds (distance) C4'-P energy: -118.969
bonds (distance) P-C4' energy: -121.834
flat angles C4'-P-C4' energy: -115.656
flat angles P-C4'-P energy: -47.243
tors. eta vs tors. theta energy: 17.302
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: 43
Temperature: 0.900000
Total energy: -2372.090013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.090013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.090013 (E_RNA)
where:
Base-Base interactions energy: -1608.272
where: short stacking energy: -698.553
Base-Backbone interact. energy: 0.524
local terms energy: -764.341829
where:
bonds (distance) C4'-P energy: -133.915
bonds (distance) P-C4' energy: -156.970
flat angles C4'-P-C4' energy: -168.092
flat angles P-C4'-P energy: -110.353
tors. eta vs tors. theta energy: -195.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2185.890259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.890259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.890259 (E_RNA)
where:
Base-Base interactions energy: -1459.739
where: short stacking energy: -661.250
Base-Backbone interact. energy: -1.758
local terms energy: -724.392631
where:
bonds (distance) C4'-P energy: -146.920
bonds (distance) P-C4' energy: -142.152
flat angles C4'-P-C4' energy: -165.028
flat angles P-C4'-P energy: -100.809
tors. eta vs tors. theta energy: -169.485
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: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1997.103352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.103352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.103352 (E_RNA)
where:
Base-Base interactions energy: -1300.535
where: short stacking energy: -603.348
Base-Backbone interact. energy: -1.780
local terms energy: -694.788560
where:
bonds (distance) C4'-P energy: -126.922
bonds (distance) P-C4' energy: -138.333
flat angles C4'-P-C4' energy: -156.189
flat angles P-C4'-P energy: -108.528
tors. eta vs tors. theta energy: -164.816
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: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1876.155227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.155227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.155227 (E_RNA)
where:
Base-Base interactions energy: -1239.320
where: short stacking energy: -600.377
Base-Backbone interact. energy: 2.137
local terms energy: -638.972796
where:
bonds (distance) C4'-P energy: -117.318
bonds (distance) P-C4' energy: -120.496
flat angles C4'-P-C4' energy: -149.300
flat angles P-C4'-P energy: -94.392
tors. eta vs tors. theta energy: -157.466
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: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1742.155196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.155196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.155196 (E_RNA)
where:
Base-Base interactions energy: -1114.145
where: short stacking energy: -515.597
Base-Backbone interact. energy: -1.272
local terms energy: -626.737759
where:
bonds (distance) C4'-P energy: -138.628
bonds (distance) P-C4' energy: -136.273
flat angles C4'-P-C4' energy: -140.015
flat angles P-C4'-P energy: -91.513
tors. eta vs tors. theta energy: -120.309
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: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1612.071631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.071631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.071631 (E_RNA)
where:
Base-Base interactions energy: -1059.848
where: short stacking energy: -484.999
Base-Backbone interact. energy: -3.154
local terms energy: -549.068714
where:
bonds (distance) C4'-P energy: -98.979
bonds (distance) P-C4' energy: -129.564
flat angles C4'-P-C4' energy: -150.203
flat angles P-C4'-P energy: -73.478
tors. eta vs tors. theta energy: -96.844
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: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1311.251246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.251246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.251246 (E_RNA)
where:
Base-Base interactions energy: -768.218
where: short stacking energy: -380.093
Base-Backbone interact. energy: 1.046
local terms energy: -544.079131
where:
bonds (distance) C4'-P energy: -120.264
bonds (distance) P-C4' energy: -149.259
flat angles C4'-P-C4' energy: -117.919
flat angles P-C4'-P energy: -85.296
tors. eta vs tors. theta energy: -71.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1200.017075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.017075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.017075 (E_RNA)
where:
Base-Base interactions energy: -718.349
where: short stacking energy: -352.504
Base-Backbone interact. energy: -0.972
local terms energy: -480.696704
where:
bonds (distance) C4'-P energy: -98.881
bonds (distance) P-C4' energy: -120.273
flat angles C4'-P-C4' energy: -108.351
flat angles P-C4'-P energy: -79.445
tors. eta vs tors. theta energy: -73.746
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: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -886.692216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.692216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.692216 (E_RNA)
where:
Base-Base interactions energy: -456.294
where: short stacking energy: -240.004
Base-Backbone interact. energy: -2.334
local terms energy: -428.064481
where:
bonds (distance) C4'-P energy: -120.542
bonds (distance) P-C4' energy: -123.290
flat angles C4'-P-C4' energy: -117.157
flat angles P-C4'-P energy: -58.105
tors. eta vs tors. theta energy: -8.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -543.504138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.504138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.504138 (E_RNA)
where:
Base-Base interactions energy: -196.740
where: short stacking energy: -158.586
Base-Backbone interact. energy: 3.449
local terms energy: -350.212805
where:
bonds (distance) C4'-P energy: -112.548
bonds (distance) P-C4' energy: -113.769
flat angles C4'-P-C4' energy: -104.722
flat angles P-C4'-P energy: -65.337
tors. eta vs tors. theta energy: 46.163
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: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2353.108560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.108560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.108560 (E_RNA)
where:
Base-Base interactions energy: -1607.179
where: short stacking energy: -692.272
Base-Backbone interact. energy: -2.495
local terms energy: -743.435118
where:
bonds (distance) C4'-P energy: -141.184
bonds (distance) P-C4' energy: -141.702
flat angles C4'-P-C4' energy: -171.743
flat angles P-C4'-P energy: -112.181
tors. eta vs tors. theta energy: -176.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2175.755559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.755559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.755559 (E_RNA)
where:
Base-Base interactions energy: -1452.592
where: short stacking energy: -655.717
Base-Backbone interact. energy: -2.479
local terms energy: -720.684725
where:
bonds (distance) C4'-P energy: -151.471
bonds (distance) P-C4' energy: -136.137
flat angles C4'-P-C4' energy: -165.271
flat angles P-C4'-P energy: -91.753
tors. eta vs tors. theta energy: -176.053
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: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1897.471103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.471103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.471103 (E_RNA)
where:
Base-Base interactions energy: -1230.299
where: short stacking energy: -586.891
Base-Backbone interact. energy: -3.019
local terms energy: -664.153212
where:
bonds (distance) C4'-P energy: -138.286
bonds (distance) P-C4' energy: -131.832
flat angles C4'-P-C4' energy: -156.866
flat angles P-C4'-P energy: -96.429
tors. eta vs tors. theta energy: -140.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1949.433815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.433815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.433815 (E_RNA)
where:
Base-Base interactions energy: -1259.281
where: short stacking energy: -572.996
Base-Backbone interact. energy: -1.854
local terms energy: -688.298573
where:
bonds (distance) C4'-P energy: -134.566
bonds (distance) P-C4' energy: -142.451
flat angles C4'-P-C4' energy: -144.734
flat angles P-C4'-P energy: -95.233
tors. eta vs tors. theta energy: -171.315
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: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1705.187832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.187832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.187832 (E_RNA)
where:
Base-Base interactions energy: -1106.113
where: short stacking energy: -534.009
Base-Backbone interact. energy: 3.311
local terms energy: -602.385235
where:
bonds (distance) C4'-P energy: -121.162
bonds (distance) P-C4' energy: -137.435
flat angles C4'-P-C4' energy: -137.740
flat angles P-C4'-P energy: -79.883
tors. eta vs tors. theta energy: -126.166
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: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1602.592475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.592475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.592475 (E_RNA)
where:
Base-Base interactions energy: -1028.489
where: short stacking energy: -486.651
Base-Backbone interact. energy: 3.779
local terms energy: -577.882667
where:
bonds (distance) C4'-P energy: -105.207
bonds (distance) P-C4' energy: -134.175
flat angles C4'-P-C4' energy: -145.862
flat angles P-C4'-P energy: -68.343
tors. eta vs tors. theta energy: -124.297
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: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1282.333644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.333644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.333644 (E_RNA)
where:
Base-Base interactions energy: -756.132
where: short stacking energy: -364.642
Base-Backbone interact. energy: -2.218
local terms energy: -523.984191
where:
bonds (distance) C4'-P energy: -115.991
bonds (distance) P-C4' energy: -141.900
flat angles C4'-P-C4' energy: -115.837
flat angles P-C4'-P energy: -81.737
tors. eta vs tors. theta energy: -68.518
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: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1149.272848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.272848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.272848 (E_RNA)
where:
Base-Base interactions energy: -680.015
where: short stacking energy: -339.592
Base-Backbone interact. energy: 3.684
local terms energy: -472.941491
where:
bonds (distance) C4'-P energy: -103.216
bonds (distance) P-C4' energy: -127.079
flat angles C4'-P-C4' energy: -121.837
flat angles P-C4'-P energy: -79.514
tors. eta vs tors. theta energy: -41.296
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: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -869.771936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.771936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.771936 (E_RNA)
where:
Base-Base interactions energy: -460.109
where: short stacking energy: -251.259
Base-Backbone interact. energy: -1.853
local terms energy: -407.810069
where:
bonds (distance) C4'-P energy: -118.868
bonds (distance) P-C4' energy: -134.710
flat angles C4'-P-C4' energy: -87.412
flat angles P-C4'-P energy: -59.042
tors. eta vs tors. theta energy: -7.779
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: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -587.971205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.971205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.971205 (E_RNA)
where:
Base-Base interactions energy: -241.323
where: short stacking energy: -156.677
Base-Backbone interact. energy: 6.361
local terms energy: -353.009939
where:
bonds (distance) C4'-P energy: -122.980
bonds (distance) P-C4' energy: -94.547
flat angles C4'-P-C4' energy: -99.405
flat angles P-C4'-P energy: -47.980
tors. eta vs tors. theta energy: 11.902
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: 45
Temperature: 0.900000
Total energy: -2372.638448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.638448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.638448 (E_RNA)
where:
Base-Base interactions energy: -1639.325
where: short stacking energy: -698.905
Base-Backbone interact. energy: -7.105
local terms energy: -726.208316
where:
bonds (distance) C4'-P energy: -122.692
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -165.813
flat angles P-C4'-P energy: -99.414
tors. eta vs tors. theta energy: -188.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2162.589343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.589343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.589343 (E_RNA)
where:
Base-Base interactions energy: -1451.342
where: short stacking energy: -668.508
Base-Backbone interact. energy: -0.739
local terms energy: -710.509212
where:
bonds (distance) C4'-P energy: -137.213
bonds (distance) P-C4' energy: -133.110
flat angles C4'-P-C4' energy: -168.770
flat angles P-C4'-P energy: -99.347
tors. eta vs tors. theta energy: -172.070
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: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1967.523602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.523602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.523602 (E_RNA)
where:
Base-Base interactions energy: -1283.832
where: short stacking energy: -577.624
Base-Backbone interact. energy: -3.418
local terms energy: -680.273781
where:
bonds (distance) C4'-P energy: -134.432
bonds (distance) P-C4' energy: -154.456
flat angles C4'-P-C4' energy: -146.073
flat angles P-C4'-P energy: -91.857
tors. eta vs tors. theta energy: -153.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1901.683877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.683877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.683877 (E_RNA)
where:
Base-Base interactions energy: -1249.135
where: short stacking energy: -581.942
Base-Backbone interact. energy: -1.703
local terms energy: -650.845387
where:
bonds (distance) C4'-P energy: -139.378
bonds (distance) P-C4' energy: -118.318
flat angles C4'-P-C4' energy: -143.982
flat angles P-C4'-P energy: -87.951
tors. eta vs tors. theta energy: -161.216
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: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1701.102828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.102828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.102828 (E_RNA)
where:
Base-Base interactions energy: -1093.616
where: short stacking energy: -496.835
Base-Backbone interact. energy: -2.988
local terms energy: -604.498876
where:
bonds (distance) C4'-P energy: -112.491
bonds (distance) P-C4' energy: -145.462
flat angles C4'-P-C4' energy: -147.693
flat angles P-C4'-P energy: -73.866
tors. eta vs tors. theta energy: -124.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1652.878322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.878322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.878322 (E_RNA)
where:
Base-Base interactions energy: -1069.467
where: short stacking energy: -497.686
Base-Backbone interact. energy: -1.550
local terms energy: -581.861117
where:
bonds (distance) C4'-P energy: -126.259
bonds (distance) P-C4' energy: -121.478
flat angles C4'-P-C4' energy: -130.617
flat angles P-C4'-P energy: -93.189
tors. eta vs tors. theta energy: -110.318
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: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1291.762130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.762130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.762130 (E_RNA)
where:
Base-Base interactions energy: -732.316
where: short stacking energy: -391.199
Base-Backbone interact. energy: -1.383
local terms energy: -558.062599
where:
bonds (distance) C4'-P energy: -127.612
bonds (distance) P-C4' energy: -132.412
flat angles C4'-P-C4' energy: -140.570
flat angles P-C4'-P energy: -87.909
tors. eta vs tors. theta energy: -69.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1179.817372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.817372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.817372 (E_RNA)
where:
Base-Base interactions energy: -695.845
where: short stacking energy: -352.084
Base-Backbone interact. energy: -1.644
local terms energy: -482.328624
where:
bonds (distance) C4'-P energy: -123.418
bonds (distance) P-C4' energy: -121.872
flat angles C4'-P-C4' energy: -106.766
flat angles P-C4'-P energy: -78.081
tors. eta vs tors. theta energy: -52.193
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: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -870.523325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.523325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.523325 (E_RNA)
where:
Base-Base interactions energy: -444.949
where: short stacking energy: -248.710
Base-Backbone interact. energy: -0.652
local terms energy: -424.922303
where:
bonds (distance) C4'-P energy: -108.145
bonds (distance) P-C4' energy: -141.659
flat angles C4'-P-C4' energy: -105.824
flat angles P-C4'-P energy: -60.210
tors. eta vs tors. theta energy: -9.085
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: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -601.122395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.122395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.122395 (E_RNA)
where:
Base-Base interactions energy: -231.612
where: short stacking energy: -149.757
Base-Backbone interact. energy: -0.946
local terms energy: -368.564312
where:
bonds (distance) C4'-P energy: -114.025
bonds (distance) P-C4' energy: -120.235
flat angles C4'-P-C4' energy: -101.136
flat angles P-C4'-P energy: -63.031
tors. eta vs tors. theta energy: 29.862
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: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2436.065743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.065743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.065743 (E_RNA)
where:
Base-Base interactions energy: -1671.443
where: short stacking energy: -718.574
Base-Backbone interact. energy: -5.387
local terms energy: -759.235718
where:
bonds (distance) C4'-P energy: -146.745
bonds (distance) P-C4' energy: -137.877
flat angles C4'-P-C4' energy: -165.475
flat angles P-C4'-P energy: -110.502
tors. eta vs tors. theta energy: -198.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2166.524638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.524638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.524638 (E_RNA)
where:
Base-Base interactions energy: -1436.521
where: short stacking energy: -646.925
Base-Backbone interact. energy: 3.258
local terms energy: -733.261215
where:
bonds (distance) C4'-P energy: -136.209
bonds (distance) P-C4' energy: -141.100
flat angles C4'-P-C4' energy: -158.070
flat angles P-C4'-P energy: -117.312
tors. eta vs tors. theta energy: -180.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1951.381603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.381603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.381603 (E_RNA)
where:
Base-Base interactions energy: -1297.126
where: short stacking energy: -570.290
Base-Backbone interact. energy: -0.179
local terms energy: -654.076503
where:
bonds (distance) C4'-P energy: -144.478
bonds (distance) P-C4' energy: -147.513
flat angles C4'-P-C4' energy: -135.362
flat angles P-C4'-P energy: -79.998
tors. eta vs tors. theta energy: -146.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1854.670653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.670653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.670653 (E_RNA)
where:
Base-Base interactions energy: -1195.503
where: short stacking energy: -590.557
Base-Backbone interact. energy: -2.752
local terms energy: -656.415848
where:
bonds (distance) C4'-P energy: -117.787
bonds (distance) P-C4' energy: -145.508
flat angles C4'-P-C4' energy: -145.628
flat angles P-C4'-P energy: -86.876
tors. eta vs tors. theta energy: -160.617
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: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1867.913569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.913569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.913569 (E_RNA)
where:
Base-Base interactions energy: -1245.017
where: short stacking energy: -552.929
Base-Backbone interact. energy: -0.723
local terms energy: -622.173525
where:
bonds (distance) C4'-P energy: -117.636
bonds (distance) P-C4' energy: -137.700
flat angles C4'-P-C4' energy: -137.314
flat angles P-C4'-P energy: -89.326
tors. eta vs tors. theta energy: -140.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1617.592466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.592466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.592466 (E_RNA)
where:
Base-Base interactions energy: -1001.168
where: short stacking energy: -475.234
Base-Backbone interact. energy: -3.538
local terms energy: -612.886543
where:
bonds (distance) C4'-P energy: -130.108
bonds (distance) P-C4' energy: -121.948
flat angles C4'-P-C4' energy: -144.845
flat angles P-C4'-P energy: -94.578
tors. eta vs tors. theta energy: -121.407
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: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1235.911312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.911312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.911312 (E_RNA)
where:
Base-Base interactions energy: -700.709
where: short stacking energy: -364.090
Base-Backbone interact. energy: -7.096
local terms energy: -528.106304
where:
bonds (distance) C4'-P energy: -112.768
bonds (distance) P-C4' energy: -149.594
flat angles C4'-P-C4' energy: -131.404
flat angles P-C4'-P energy: -83.897
tors. eta vs tors. theta energy: -50.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1175.947227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.947227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.947227 (E_RNA)
where:
Base-Base interactions energy: -695.815
where: short stacking energy: -351.246
Base-Backbone interact. energy: -1.141
local terms energy: -478.990906
where:
bonds (distance) C4'-P energy: -100.535
bonds (distance) P-C4' energy: -137.523
flat angles C4'-P-C4' energy: -127.012
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: -40.848
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: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -897.129131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.129131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.129131 (E_RNA)
where:
Base-Base interactions energy: -465.817
where: short stacking energy: -224.557
Base-Backbone interact. energy: 4.954
local terms energy: -436.265856
where:
bonds (distance) C4'-P energy: -120.131
bonds (distance) P-C4' energy: -124.943
flat angles C4'-P-C4' energy: -119.806
flat angles P-C4'-P energy: -74.079
tors. eta vs tors. theta energy: 2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -589.170624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.170624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.170624 (E_RNA)
where:
Base-Base interactions energy: -229.765
where: short stacking energy: -158.154
Base-Backbone interact. energy: 2.362
local terms energy: -361.767651
where:
bonds (distance) C4'-P energy: -123.504
bonds (distance) P-C4' energy: -118.315
flat angles C4'-P-C4' energy: -93.028
flat angles P-C4'-P energy: -47.404
tors. eta vs tors. theta energy: 20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2403.472321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.472321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.472321 (E_RNA)
where:
Base-Base interactions energy: -1614.403
where: short stacking energy: -682.242
Base-Backbone interact. energy: -5.683
local terms energy: -783.386555
where:
bonds (distance) C4'-P energy: -144.575
bonds (distance) P-C4' energy: -161.381
flat angles C4'-P-C4' energy: -172.602
flat angles P-C4'-P energy: -114.371
tors. eta vs tors. theta energy: -190.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2221.359121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.359121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.359121 (E_RNA)
where:
Base-Base interactions energy: -1484.858
where: short stacking energy: -650.794
Base-Backbone interact. energy: -1.904
local terms energy: -734.596956
where:
bonds (distance) C4'-P energy: -147.822
bonds (distance) P-C4' energy: -131.972
flat angles C4'-P-C4' energy: -168.932
flat angles P-C4'-P energy: -112.139
tors. eta vs tors. theta energy: -173.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1923.327251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.327251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.327251 (E_RNA)
where:
Base-Base interactions energy: -1243.917
where: short stacking energy: -571.214
Base-Backbone interact. energy: -3.406
local terms energy: -676.004298
where:
bonds (distance) C4'-P energy: -143.184
bonds (distance) P-C4' energy: -141.559
flat angles C4'-P-C4' energy: -138.644
flat angles P-C4'-P energy: -95.286
tors. eta vs tors. theta energy: -157.332
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: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1917.115838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.115838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.115838 (E_RNA)
where:
Base-Base interactions energy: -1283.776
where: short stacking energy: -591.435
Base-Backbone interact. energy: -0.761
local terms energy: -632.578856
where:
bonds (distance) C4'-P energy: -118.628
bonds (distance) P-C4' energy: -128.037
flat angles C4'-P-C4' energy: -156.139
flat angles P-C4'-P energy: -83.627
tors. eta vs tors. theta energy: -146.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1845.484423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.484423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.484423 (E_RNA)
where:
Base-Base interactions energy: -1223.503
where: short stacking energy: -577.528
Base-Backbone interact. energy: 1.615
local terms energy: -623.596562
where:
bonds (distance) C4'-P energy: -106.373
bonds (distance) P-C4' energy: -130.489
flat angles C4'-P-C4' energy: -139.350
flat angles P-C4'-P energy: -93.120
tors. eta vs tors. theta energy: -154.264
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: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1585.036715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.036715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.036715 (E_RNA)
where:
Base-Base interactions energy: -993.495
where: short stacking energy: -486.817
Base-Backbone interact. energy: -2.612
local terms energy: -588.929599
where:
bonds (distance) C4'-P energy: -129.897
bonds (distance) P-C4' energy: -144.599
flat angles C4'-P-C4' energy: -139.236
flat angles P-C4'-P energy: -69.177
tors. eta vs tors. theta energy: -106.020
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: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1270.342437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.342437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.342437 (E_RNA)
where:
Base-Base interactions energy: -740.594
where: short stacking energy: -394.880
Base-Backbone interact. energy: 1.069
local terms energy: -530.817869
where:
bonds (distance) C4'-P energy: -125.502
bonds (distance) P-C4' energy: -137.701
flat angles C4'-P-C4' energy: -108.113
flat angles P-C4'-P energy: -76.619
tors. eta vs tors. theta energy: -82.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1169.513763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.513763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.513763 (E_RNA)
where:
Base-Base interactions energy: -686.780
where: short stacking energy: -310.802
Base-Backbone interact. energy: -3.039
local terms energy: -479.694885
where:
bonds (distance) C4'-P energy: -128.457
bonds (distance) P-C4' energy: -106.964
flat angles C4'-P-C4' energy: -133.944
flat angles P-C4'-P energy: -69.266
tors. eta vs tors. theta energy: -41.064
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: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -881.022453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.022453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.022453 (E_RNA)
where:
Base-Base interactions energy: -481.495
where: short stacking energy: -281.988
Base-Backbone interact. energy: 1.564
local terms energy: -401.091690
where:
bonds (distance) C4'-P energy: -107.121
bonds (distance) P-C4' energy: -116.463
flat angles C4'-P-C4' energy: -99.493
flat angles P-C4'-P energy: -60.022
tors. eta vs tors. theta energy: -17.993
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: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -577.029710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.029710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.029710 (E_RNA)
where:
Base-Base interactions energy: -225.585
where: short stacking energy: -192.699
Base-Backbone interact. energy: -1.908
local terms energy: -349.537084
where:
bonds (distance) C4'-P energy: -102.187
bonds (distance) P-C4' energy: -120.230
flat angles C4'-P-C4' energy: -91.624
flat angles P-C4'-P energy: -47.950
tors. eta vs tors. theta energy: 12.454
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: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2380.268093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.268093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.268093 (E_RNA)
where:
Base-Base interactions energy: -1626.707
where: short stacking energy: -695.986
Base-Backbone interact. energy: -3.900
local terms energy: -749.660560
where:
bonds (distance) C4'-P energy: -136.710
bonds (distance) P-C4' energy: -144.011
flat angles C4'-P-C4' energy: -165.672
flat angles P-C4'-P energy: -113.169
tors. eta vs tors. theta energy: -190.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2211.030308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.030308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.030308 (E_RNA)
where:
Base-Base interactions energy: -1492.561
where: short stacking energy: -640.482
Base-Backbone interact. energy: -0.225
local terms energy: -718.244553
where:
bonds (distance) C4'-P energy: -152.750
bonds (distance) P-C4' energy: -125.935
flat angles C4'-P-C4' energy: -163.781
flat angles P-C4'-P energy: -105.064
tors. eta vs tors. theta energy: -170.713
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: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1937.512586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.512586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.512586 (E_RNA)
where:
Base-Base interactions energy: -1256.584
where: short stacking energy: -571.834
Base-Backbone interact. energy: -6.315
local terms energy: -674.613236
where:
bonds (distance) C4'-P energy: -140.571
bonds (distance) P-C4' energy: -135.896
flat angles C4'-P-C4' energy: -156.846
flat angles P-C4'-P energy: -90.324
tors. eta vs tors. theta energy: -150.976
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: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1913.011513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.011513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.011513 (E_RNA)
where:
Base-Base interactions energy: -1242.429
where: short stacking energy: -570.987
Base-Backbone interact. energy: -1.759
local terms energy: -668.823582
where:
bonds (distance) C4'-P energy: -146.326
bonds (distance) P-C4' energy: -122.331
flat angles C4'-P-C4' energy: -148.582
flat angles P-C4'-P energy: -102.510
tors. eta vs tors. theta energy: -149.075
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: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1803.948805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.948805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.948805 (E_RNA)
where:
Base-Base interactions energy: -1134.287
where: short stacking energy: -540.098
Base-Backbone interact. energy: -0.571
local terms energy: -669.090637
where:
bonds (distance) C4'-P energy: -132.743
bonds (distance) P-C4' energy: -134.390
flat angles C4'-P-C4' energy: -144.550
flat angles P-C4'-P energy: -96.970
tors. eta vs tors. theta energy: -160.437
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: 48
Temperature: 1.150000
Total energy: -1539.539267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.539267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.539267 (E_RNA)
where:
Base-Base interactions energy: -965.259
where: short stacking energy: -431.613
Base-Backbone interact. energy: 6.137
local terms energy: -580.417272
where:
bonds (distance) C4'-P energy: -136.570
bonds (distance) P-C4' energy: -123.564
flat angles C4'-P-C4' energy: -142.073
flat angles P-C4'-P energy: -90.042
tors. eta vs tors. theta energy: -88.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1249.858987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.858987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.858987 (E_RNA)
where:
Base-Base interactions energy: -719.862
where: short stacking energy: -376.562
Base-Backbone interact. energy: -1.775
local terms energy: -528.222510
where:
bonds (distance) C4'-P energy: -133.409
bonds (distance) P-C4' energy: -127.388
flat angles C4'-P-C4' energy: -124.212
flat angles P-C4'-P energy: -72.122
tors. eta vs tors. theta energy: -71.092
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: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1167.145417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.145417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.145417 (E_RNA)
where:
Base-Base interactions energy: -712.313
where: short stacking energy: -348.918
Base-Backbone interact. energy: -0.762
local terms energy: -454.070313
where:
bonds (distance) C4'-P energy: -118.103
bonds (distance) P-C4' energy: -117.674
flat angles C4'-P-C4' energy: -127.049
flat angles P-C4'-P energy: -50.787
tors. eta vs tors. theta energy: -40.457
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -863.996211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.996211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.996211 (E_RNA)
where:
Base-Base interactions energy: -453.479
where: short stacking energy: -237.544
Base-Backbone interact. energy: -6.062
local terms energy: -404.455827
where:
bonds (distance) C4'-P energy: -101.172
bonds (distance) P-C4' energy: -122.706
flat angles C4'-P-C4' energy: -117.660
flat angles P-C4'-P energy: -63.777
tors. eta vs tors. theta energy: 0.860
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: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -564.769100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.769100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.769100 (E_RNA)
where:
Base-Base interactions energy: -211.332
where: short stacking energy: -168.973
Base-Backbone interact. energy: 3.420
local terms energy: -356.857633
where:
bonds (distance) C4'-P energy: -112.715
bonds (distance) P-C4' energy: -121.497
flat angles C4'-P-C4' energy: -101.153
flat angles P-C4'-P energy: -40.332
tors. eta vs tors. theta energy: 18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2373.571736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.571736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.571736 (E_RNA)
where:
Base-Base interactions energy: -1631.239
where: short stacking energy: -707.557
Base-Backbone interact. energy: -3.946
local terms energy: -738.386522
where:
bonds (distance) C4'-P energy: -128.321
bonds (distance) P-C4' energy: -158.855
flat angles C4'-P-C4' energy: -159.136
flat angles P-C4'-P energy: -105.401
tors. eta vs tors. theta energy: -186.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2185.740488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.740488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.740488 (E_RNA)
where:
Base-Base interactions energy: -1492.769
where: short stacking energy: -640.323
Base-Backbone interact. energy: 1.278
local terms energy: -694.249510
where:
bonds (distance) C4'-P energy: -141.233
bonds (distance) P-C4' energy: -133.210
flat angles C4'-P-C4' energy: -157.485
flat angles P-C4'-P energy: -90.507
tors. eta vs tors. theta energy: -171.814
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: 49
Temperature: 1.000000
Total energy: -1984.110482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.110482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.110482 (E_RNA)
where:
Base-Base interactions energy: -1289.247
where: short stacking energy: -583.184
Base-Backbone interact. energy: -5.989
local terms energy: -688.874218
where:
bonds (distance) C4'-P energy: -132.432
bonds (distance) P-C4' energy: -137.740
flat angles C4'-P-C4' energy: -166.505
flat angles P-C4'-P energy: -95.874
tors. eta vs tors. theta energy: -156.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1967.800274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.800274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.800274 (E_RNA)
where:
Base-Base interactions energy: -1325.322
where: short stacking energy: -580.533
Base-Backbone interact. energy: -2.265
local terms energy: -640.212667
where:
bonds (distance) C4'-P energy: -134.139
bonds (distance) P-C4' energy: -118.780
flat angles C4'-P-C4' energy: -144.830
flat angles P-C4'-P energy: -94.258
tors. eta vs tors. theta energy: -148.206
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: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1796.971362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.971362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.971362 (E_RNA)
where:
Base-Base interactions energy: -1154.777
where: short stacking energy: -558.785
Base-Backbone interact. energy: 0.235
local terms energy: -642.429425
where:
bonds (distance) C4'-P energy: -121.552
bonds (distance) P-C4' energy: -135.785
flat angles C4'-P-C4' energy: -144.055
flat angles P-C4'-P energy: -95.924
tors. eta vs tors. theta energy: -145.114
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: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1507.081809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.081809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.081809 (E_RNA)
where:
Base-Base interactions energy: -946.928
where: short stacking energy: -451.554
Base-Backbone interact. energy: -2.282
local terms energy: -557.872059
where:
bonds (distance) C4'-P energy: -120.847
bonds (distance) P-C4' energy: -125.574
flat angles C4'-P-C4' energy: -128.275
flat angles P-C4'-P energy: -77.085
tors. eta vs tors. theta energy: -106.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1289.759842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.759842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.759842 (E_RNA)
where:
Base-Base interactions energy: -769.502
where: short stacking energy: -365.013
Base-Backbone interact. energy: -3.022
local terms energy: -517.235973
where:
bonds (distance) C4'-P energy: -127.330
bonds (distance) P-C4' energy: -135.906
flat angles C4'-P-C4' energy: -120.480
flat angles P-C4'-P energy: -76.584
tors. eta vs tors. theta energy: -56.936
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: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1105.495847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.495847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.495847 (E_RNA)
where:
Base-Base interactions energy: -619.371
where: short stacking energy: -337.276
Base-Backbone interact. energy: -1.930
local terms energy: -484.195694
where:
bonds (distance) C4'-P energy: -108.530
bonds (distance) P-C4' energy: -140.193
flat angles C4'-P-C4' energy: -120.860
flat angles P-C4'-P energy: -68.026
tors. eta vs tors. theta energy: -46.587
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: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -966.688950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.688950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.688950 (E_RNA)
where:
Base-Base interactions energy: -532.808
where: short stacking energy: -282.312
Base-Backbone interact. energy: -0.127
local terms energy: -433.753973
where:
bonds (distance) C4'-P energy: -121.406
bonds (distance) P-C4' energy: -114.883
flat angles C4'-P-C4' energy: -127.995
flat angles P-C4'-P energy: -54.137
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -545.643285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.643285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.643285 (E_RNA)
where:
Base-Base interactions energy: -176.333
where: short stacking energy: -138.226
Base-Backbone interact. energy: 0.445
local terms energy: -369.755461
where:
bonds (distance) C4'-P energy: -130.445
bonds (distance) P-C4' energy: -122.888
flat angles C4'-P-C4' energy: -97.672
flat angles P-C4'-P energy: -42.633
tors. eta vs tors. theta energy: 23.882
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: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2399.664804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.664804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.664804 (E_RNA)
where:
Base-Base interactions energy: -1630.048
where: short stacking energy: -723.522
Base-Backbone interact. energy: -1.651
local terms energy: -767.965486
where:
bonds (distance) C4'-P energy: -151.095
bonds (distance) P-C4' energy: -144.431
flat angles C4'-P-C4' energy: -176.784
flat angles P-C4'-P energy: -108.522
tors. eta vs tors. theta energy: -187.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2221.632182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.632182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.632182 (E_RNA)
where:
Base-Base interactions energy: -1478.170
where: short stacking energy: -626.925
Base-Backbone interact. energy: -1.705
local terms energy: -741.757078
where:
bonds (distance) C4'-P energy: -152.663
bonds (distance) P-C4' energy: -144.628
flat angles C4'-P-C4' energy: -153.138
flat angles P-C4'-P energy: -118.280
tors. eta vs tors. theta energy: -173.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2097.427158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.427158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.427158 (E_RNA)
where:
Base-Base interactions energy: -1416.342
where: short stacking energy: -614.185
Base-Backbone interact. energy: 0.110
local terms energy: -681.194897
where:
bonds (distance) C4'-P energy: -132.374
bonds (distance) P-C4' energy: -138.510
flat angles C4'-P-C4' energy: -145.325
flat angles P-C4'-P energy: -92.918
tors. eta vs tors. theta energy: -172.067
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: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1897.117417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.117417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.117417 (E_RNA)
where:
Base-Base interactions energy: -1210.228
where: short stacking energy: -545.472
Base-Backbone interact. energy: -4.759
local terms energy: -682.130112
where:
bonds (distance) C4'-P energy: -140.771
bonds (distance) P-C4' energy: -129.879
flat angles C4'-P-C4' energy: -159.764
flat angles P-C4'-P energy: -99.889
tors. eta vs tors. theta energy: -151.827
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: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1742.012401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.012401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.012401 (E_RNA)
where:
Base-Base interactions energy: -1105.224
where: short stacking energy: -546.805
Base-Backbone interact. energy: -2.473
local terms energy: -634.315649
where:
bonds (distance) C4'-P energy: -131.012
bonds (distance) P-C4' energy: -127.543
flat angles C4'-P-C4' energy: -138.376
flat angles P-C4'-P energy: -100.405
tors. eta vs tors. theta energy: -136.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1537.509632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.509632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.509632 (E_RNA)
where:
Base-Base interactions energy: -969.840
where: short stacking energy: -473.850
Base-Backbone interact. energy: 0.680
local terms energy: -568.349804
where:
bonds (distance) C4'-P energy: -110.658
bonds (distance) P-C4' energy: -134.738
flat angles C4'-P-C4' energy: -123.822
flat angles P-C4'-P energy: -89.375
tors. eta vs tors. theta energy: -109.756
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: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1289.394114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.394114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.394114 (E_RNA)
where:
Base-Base interactions energy: -770.394
where: short stacking energy: -404.001
Base-Backbone interact. energy: 4.724
local terms energy: -523.723894
where:
bonds (distance) C4'-P energy: -120.394
bonds (distance) P-C4' energy: -140.132
flat angles C4'-P-C4' energy: -115.583
flat angles P-C4'-P energy: -71.519
tors. eta vs tors. theta energy: -76.096
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: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1083.348165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.348165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.348165 (E_RNA)
where:
Base-Base interactions energy: -624.371
where: short stacking energy: -316.644
Base-Backbone interact. energy: 0.983
local terms energy: -459.959656
where:
bonds (distance) C4'-P energy: -104.494
bonds (distance) P-C4' energy: -134.464
flat angles C4'-P-C4' energy: -121.180
flat angles P-C4'-P energy: -65.043
tors. eta vs tors. theta energy: -34.779
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: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -891.676147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.676147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.676147 (E_RNA)
where:
Base-Base interactions energy: -521.090
where: short stacking energy: -251.597
Base-Backbone interact. energy: -3.069
local terms energy: -367.517324
where:
bonds (distance) C4'-P energy: -116.415
bonds (distance) P-C4' energy: -111.732
flat angles C4'-P-C4' energy: -80.569
flat angles P-C4'-P energy: -57.933
tors. eta vs tors. theta energy: -0.868
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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -593.724097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.724097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.724097 (E_RNA)
where:
Base-Base interactions energy: -206.283
where: short stacking energy: -191.477
Base-Backbone interact. energy: 1.750
local terms energy: -389.191343
where:
bonds (distance) C4'-P energy: -109.016
bonds (distance) P-C4' energy: -115.855
flat angles C4'-P-C4' energy: -104.653
flat angles P-C4'-P energy: -60.077
tors. eta vs tors. theta energy: 0.409
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: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2393.141685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.141685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.141685 (E_RNA)
where:
Base-Base interactions energy: -1639.658
where: short stacking energy: -693.436
Base-Backbone interact. energy: -1.063
local terms energy: -752.420964
where:
bonds (distance) C4'-P energy: -149.633
bonds (distance) P-C4' energy: -137.778
flat angles C4'-P-C4' energy: -168.123
flat angles P-C4'-P energy: -107.165
tors. eta vs tors. theta energy: -189.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2262.179041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.179041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.179041 (E_RNA)
where:
Base-Base interactions energy: -1512.334
where: short stacking energy: -691.968
Base-Backbone interact. energy: -1.756
local terms energy: -748.089859
where:
bonds (distance) C4'-P energy: -147.887
bonds (distance) P-C4' energy: -139.040
flat angles C4'-P-C4' energy: -162.074
flat angles P-C4'-P energy: -112.216
tors. eta vs tors. theta energy: -186.873
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: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2132.055301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.055301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.055301 (E_RNA)
where:
Base-Base interactions energy: -1463.730
where: short stacking energy: -633.725
Base-Backbone interact. energy: -0.005
local terms energy: -668.320350
where:
bonds (distance) C4'-P energy: -132.631
bonds (distance) P-C4' energy: -127.213
flat angles C4'-P-C4' energy: -154.163
flat angles P-C4'-P energy: -95.748
tors. eta vs tors. theta energy: -158.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1946.445290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.445290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.445290 (E_RNA)
where:
Base-Base interactions energy: -1297.229
where: short stacking energy: -564.058
Base-Backbone interact. energy: -2.744
local terms energy: -646.472011
where:
bonds (distance) C4'-P energy: -133.343
bonds (distance) P-C4' energy: -136.353
flat angles C4'-P-C4' energy: -153.169
flat angles P-C4'-P energy: -79.332
tors. eta vs tors. theta energy: -144.275
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: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1762.591108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.591108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.591108 (E_RNA)
where:
Base-Base interactions energy: -1132.905
where: short stacking energy: -532.924
Base-Backbone interact. energy: 1.950
local terms energy: -631.636418
where:
bonds (distance) C4'-P energy: -123.314
bonds (distance) P-C4' energy: -138.782
flat angles C4'-P-C4' energy: -139.060
flat angles P-C4'-P energy: -87.458
tors. eta vs tors. theta energy: -143.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1490.682116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.682116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.682116 (E_RNA)
where:
Base-Base interactions energy: -927.762
where: short stacking energy: -449.595
Base-Backbone interact. energy: -1.247
local terms energy: -561.672756
where:
bonds (distance) C4'-P energy: -103.728
bonds (distance) P-C4' energy: -142.104
flat angles C4'-P-C4' energy: -135.277
flat angles P-C4'-P energy: -88.009
tors. eta vs tors. theta energy: -92.555
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: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1339.331578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.331578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.331578 (E_RNA)
where:
Base-Base interactions energy: -788.186
where: short stacking energy: -412.522
Base-Backbone interact. energy: 0.885
local terms energy: -552.030190
where:
bonds (distance) C4'-P energy: -112.724
bonds (distance) P-C4' energy: -132.772
flat angles C4'-P-C4' energy: -125.571
flat angles P-C4'-P energy: -84.208
tors. eta vs tors. theta energy: -96.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1116.604586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.604586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.604586 (E_RNA)
where:
Base-Base interactions energy: -645.119
where: short stacking energy: -336.869
Base-Backbone interact. energy: -3.753
local terms energy: -467.732018
where:
bonds (distance) C4'-P energy: -108.230
bonds (distance) P-C4' energy: -134.915
flat angles C4'-P-C4' energy: -105.468
flat angles P-C4'-P energy: -72.299
tors. eta vs tors. theta energy: -46.821
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: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -900.918420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.918420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.918420 (E_RNA)
where:
Base-Base interactions energy: -474.579
where: short stacking energy: -234.687
Base-Backbone interact. energy: 3.234
local terms energy: -429.573457
where:
bonds (distance) C4'-P energy: -113.917
bonds (distance) P-C4' energy: -120.774
flat angles C4'-P-C4' energy: -108.140
flat angles P-C4'-P energy: -76.392
tors. eta vs tors. theta energy: -10.350
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: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -608.628272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.628272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.628272 (E_RNA)
where:
Base-Base interactions energy: -205.961
where: short stacking energy: -154.273
Base-Backbone interact. energy: 3.989
local terms energy: -406.655813
where:
bonds (distance) C4'-P energy: -126.656
bonds (distance) P-C4' energy: -131.406
flat angles C4'-P-C4' energy: -102.562
flat angles P-C4'-P energy: -70.133
tors. eta vs tors. theta energy: 24.100
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: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2376.510671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.510671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.510671 (E_RNA)
where:
Base-Base interactions energy: -1643.327
where: short stacking energy: -692.101
Base-Backbone interact. energy: -0.935
local terms energy: -732.249138
where:
bonds (distance) C4'-P energy: -145.106
bonds (distance) P-C4' energy: -141.731
flat angles C4'-P-C4' energy: -168.535
flat angles P-C4'-P energy: -97.220
tors. eta vs tors. theta energy: -179.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2230.146943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.146943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.146943 (E_RNA)
where:
Base-Base interactions energy: -1499.964
where: short stacking energy: -648.528
Base-Backbone interact. energy: -4.746
local terms energy: -725.436618
where:
bonds (distance) C4'-P energy: -136.878
bonds (distance) P-C4' energy: -148.556
flat angles C4'-P-C4' energy: -158.649
flat angles P-C4'-P energy: -114.271
tors. eta vs tors. theta energy: -167.082
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: 52
Temperature: 1.000000
Total energy: -2124.664523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.664523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.664523 (E_RNA)
where:
Base-Base interactions energy: -1417.837
where: short stacking energy: -648.077
Base-Backbone interact. energy: 1.440
local terms energy: -708.267820
where:
bonds (distance) C4'-P energy: -129.389
bonds (distance) P-C4' energy: -147.605
flat angles C4'-P-C4' energy: -155.620
flat angles P-C4'-P energy: -105.517
tors. eta vs tors. theta energy: -170.136
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: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1954.630458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.630458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.630458 (E_RNA)
where:
Base-Base interactions energy: -1288.498
where: short stacking energy: -572.713
Base-Backbone interact. energy: -3.080
local terms energy: -663.052490
where:
bonds (distance) C4'-P energy: -141.098
bonds (distance) P-C4' energy: -132.452
flat angles C4'-P-C4' energy: -131.673
flat angles P-C4'-P energy: -89.615
tors. eta vs tors. theta energy: -168.214
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: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1797.426530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.426530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.426530 (E_RNA)
where:
Base-Base interactions energy: -1151.149
where: short stacking energy: -532.431
Base-Backbone interact. energy: 0.987
local terms energy: -647.265001
where:
bonds (distance) C4'-P energy: -120.079
bonds (distance) P-C4' energy: -137.378
flat angles C4'-P-C4' energy: -152.619
flat angles P-C4'-P energy: -86.723
tors. eta vs tors. theta energy: -150.467
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: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1522.397872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.397872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.397872 (E_RNA)
where:
Base-Base interactions energy: -952.837
where: short stacking energy: -471.036
Base-Backbone interact. energy: -0.250
local terms energy: -569.310953
where:
bonds (distance) C4'-P energy: -109.112
bonds (distance) P-C4' energy: -130.818
flat angles C4'-P-C4' energy: -128.135
flat angles P-C4'-P energy: -82.836
tors. eta vs tors. theta energy: -118.411
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: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1350.188938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.188938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.188938 (E_RNA)
where:
Base-Base interactions energy: -796.609
where: short stacking energy: -405.325
Base-Backbone interact. energy: -3.859
local terms energy: -549.721268
where:
bonds (distance) C4'-P energy: -115.938
bonds (distance) P-C4' energy: -127.595
flat angles C4'-P-C4' energy: -130.139
flat angles P-C4'-P energy: -87.780
tors. eta vs tors. theta energy: -88.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1096.677417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.677417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.677417 (E_RNA)
where:
Base-Base interactions energy: -638.912
where: short stacking energy: -351.829
Base-Backbone interact. energy: 5.280
local terms energy: -463.045115
where:
bonds (distance) C4'-P energy: -122.671
bonds (distance) P-C4' energy: -140.693
flat angles C4'-P-C4' energy: -94.795
flat angles P-C4'-P energy: -56.467
tors. eta vs tors. theta energy: -48.420
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: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -882.071882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.071882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.071882 (E_RNA)
where:
Base-Base interactions energy: -453.081
where: short stacking energy: -224.018
Base-Backbone interact. energy: 1.811
local terms energy: -430.802269
where:
bonds (distance) C4'-P energy: -116.703
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -118.867
flat angles P-C4'-P energy: -45.969
tors. eta vs tors. theta energy: -31.382
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: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -555.596155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.596155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.596155 (E_RNA)
where:
Base-Base interactions energy: -197.340
where: short stacking energy: -137.770
Base-Backbone interact. energy: -0.471
local terms energy: -357.784471
where:
bonds (distance) C4'-P energy: -127.932
bonds (distance) P-C4' energy: -120.823
flat angles C4'-P-C4' energy: -99.368
flat angles P-C4'-P energy: -35.562
tors. eta vs tors. theta energy: 25.900
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: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2386.612041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.612041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.612041 (E_RNA)
where:
Base-Base interactions energy: -1629.898
where: short stacking energy: -681.881
Base-Backbone interact. energy: -3.791
local terms energy: -752.922690
where:
bonds (distance) C4'-P energy: -150.401
bonds (distance) P-C4' energy: -148.612
flat angles C4'-P-C4' energy: -168.845
flat angles P-C4'-P energy: -98.135
tors. eta vs tors. theta energy: -186.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2222.086107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.086107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.086107 (E_RNA)
where:
Base-Base interactions energy: -1508.124
where: short stacking energy: -646.945
Base-Backbone interact. energy: -2.235
local terms energy: -711.726842
where:
bonds (distance) C4'-P energy: -142.964
bonds (distance) P-C4' energy: -142.048
flat angles C4'-P-C4' energy: -155.762
flat angles P-C4'-P energy: -108.843
tors. eta vs tors. theta energy: -162.109
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: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2173.549478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.549478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.549478 (E_RNA)
where:
Base-Base interactions energy: -1473.677
where: short stacking energy: -655.967
Base-Backbone interact. energy: -1.127
local terms energy: -698.744892
where:
bonds (distance) C4'-P energy: -124.492
bonds (distance) P-C4' energy: -132.422
flat angles C4'-P-C4' energy: -162.688
flat angles P-C4'-P energy: -86.264
tors. eta vs tors. theta energy: -192.878
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: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1971.990395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.990395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.990395 (E_RNA)
where:
Base-Base interactions energy: -1276.710
where: short stacking energy: -578.143
Base-Backbone interact. energy: -3.153
local terms energy: -692.127585
where:
bonds (distance) C4'-P energy: -145.263
bonds (distance) P-C4' energy: -137.393
flat angles C4'-P-C4' energy: -148.012
flat angles P-C4'-P energy: -101.935
tors. eta vs tors. theta energy: -159.525
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: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1781.983700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.983700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.983700 (E_RNA)
where:
Base-Base interactions energy: -1139.733
where: short stacking energy: -550.897
Base-Backbone interact. energy: -2.197
local terms energy: -640.053860
where:
bonds (distance) C4'-P energy: -106.827
bonds (distance) P-C4' energy: -138.579
flat angles C4'-P-C4' energy: -139.740
flat angles P-C4'-P energy: -102.772
tors. eta vs tors. theta energy: -152.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1531.982780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.982780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.982780 (E_RNA)
where:
Base-Base interactions energy: -978.784
where: short stacking energy: -460.697
Base-Backbone interact. energy: 0.584
local terms energy: -553.782625
where:
bonds (distance) C4'-P energy: -135.419
bonds (distance) P-C4' energy: -116.789
flat angles C4'-P-C4' energy: -115.355
flat angles P-C4'-P energy: -87.079
tors. eta vs tors. theta energy: -99.139
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: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1369.022350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.022350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.022350 (E_RNA)
where:
Base-Base interactions energy: -849.360
where: short stacking energy: -393.956
Base-Backbone interact. energy: -4.096
local terms energy: -515.566340
where:
bonds (distance) C4'-P energy: -123.873
bonds (distance) P-C4' energy: -121.565
flat angles C4'-P-C4' energy: -126.683
flat angles P-C4'-P energy: -65.819
tors. eta vs tors. theta energy: -77.626
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: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1181.666984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.666984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.666984 (E_RNA)
where:
Base-Base interactions energy: -703.822
where: short stacking energy: -359.854
Base-Backbone interact. energy: -3.251
local terms energy: -474.594539
where:
bonds (distance) C4'-P energy: -108.335
bonds (distance) P-C4' energy: -120.639
flat angles C4'-P-C4' energy: -109.656
flat angles P-C4'-P energy: -64.926
tors. eta vs tors. theta energy: -71.039
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: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -936.697096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.697096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.697096 (E_RNA)
where:
Base-Base interactions energy: -482.206
where: short stacking energy: -274.472
Base-Backbone interact. energy: -2.228
local terms energy: -452.262452
where:
bonds (distance) C4'-P energy: -113.484
bonds (distance) P-C4' energy: -119.708
flat angles C4'-P-C4' energy: -128.174
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -34.205
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: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -531.628163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.628163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.628163 (E_RNA)
where:
Base-Base interactions energy: -171.214
where: short stacking energy: -134.300
Base-Backbone interact. energy: -3.989
local terms energy: -356.425558
where:
bonds (distance) C4'-P energy: -108.319
bonds (distance) P-C4' energy: -112.008
flat angles C4'-P-C4' energy: -89.191
flat angles P-C4'-P energy: -70.954
tors. eta vs tors. theta energy: 24.048
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: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2385.202730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.202730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.202730 (E_RNA)
where:
Base-Base interactions energy: -1645.785
where: short stacking energy: -665.137
Base-Backbone interact. energy: -1.088
local terms energy: -738.329403
where:
bonds (distance) C4'-P energy: -147.344
bonds (distance) P-C4' energy: -150.357
flat angles C4'-P-C4' energy: -158.709
flat angles P-C4'-P energy: -100.681
tors. eta vs tors. theta energy: -181.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2222.332911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.332911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.332911 (E_RNA)
where:
Base-Base interactions energy: -1508.479
where: short stacking energy: -639.363
Base-Backbone interact. energy: -1.570
local terms energy: -712.283877
where:
bonds (distance) C4'-P energy: -137.598
bonds (distance) P-C4' energy: -161.461
flat angles C4'-P-C4' energy: -152.271
flat angles P-C4'-P energy: -93.631
tors. eta vs tors. theta energy: -167.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2145.358431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.358431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.358431 (E_RNA)
where:
Base-Base interactions energy: -1432.686
where: short stacking energy: -640.611
Base-Backbone interact. energy: -4.201
local terms energy: -708.471393
where:
bonds (distance) C4'-P energy: -134.741
bonds (distance) P-C4' energy: -139.460
flat angles C4'-P-C4' energy: -156.628
flat angles P-C4'-P energy: -94.871
tors. eta vs tors. theta energy: -182.771
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: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1961.112709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.112709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.112709 (E_RNA)
where:
Base-Base interactions energy: -1289.516
where: short stacking energy: -566.382
Base-Backbone interact. energy: -3.663
local terms energy: -667.934078
where:
bonds (distance) C4'-P energy: -142.756
bonds (distance) P-C4' energy: -147.312
flat angles C4'-P-C4' energy: -144.167
flat angles P-C4'-P energy: -79.977
tors. eta vs tors. theta energy: -153.722
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: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1787.001100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.001100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.001100 (E_RNA)
where:
Base-Base interactions energy: -1168.777
where: short stacking energy: -544.724
Base-Backbone interact. energy: -2.654
local terms energy: -615.570060
where:
bonds (distance) C4'-P energy: -140.743
bonds (distance) P-C4' energy: -126.062
flat angles C4'-P-C4' energy: -144.999
flat angles P-C4'-P energy: -70.091
tors. eta vs tors. theta energy: -133.676
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: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1552.061207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.061207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.061207 (E_RNA)
where:
Base-Base interactions energy: -962.462
where: short stacking energy: -451.845
Base-Backbone interact. energy: -4.282
local terms energy: -585.317489
where:
bonds (distance) C4'-P energy: -127.587
bonds (distance) P-C4' energy: -132.450
flat angles C4'-P-C4' energy: -134.025
flat angles P-C4'-P energy: -74.309
tors. eta vs tors. theta energy: -116.947
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: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1409.105049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.105049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.105049 (E_RNA)
where:
Base-Base interactions energy: -882.441
where: short stacking energy: -432.903
Base-Backbone interact. energy: -0.104
local terms energy: -526.560324
where:
bonds (distance) C4'-P energy: -124.308
bonds (distance) P-C4' energy: -106.560
flat angles C4'-P-C4' energy: -123.082
flat angles P-C4'-P energy: -75.092
tors. eta vs tors. theta energy: -97.518
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: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1169.648753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.648753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.648753 (E_RNA)
where:
Base-Base interactions energy: -695.173
where: short stacking energy: -341.898
Base-Backbone interact. energy: 0.008
local terms energy: -474.483842
where:
bonds (distance) C4'-P energy: -123.062
bonds (distance) P-C4' energy: -124.724
flat angles C4'-P-C4' energy: -116.692
flat angles P-C4'-P energy: -65.995
tors. eta vs tors. theta energy: -44.010
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: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -916.023402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.023402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.023402 (E_RNA)
where:
Base-Base interactions energy: -455.511
where: short stacking energy: -252.018
Base-Backbone interact. energy: -2.027
local terms energy: -458.485180
where:
bonds (distance) C4'-P energy: -127.527
bonds (distance) P-C4' energy: -117.037
flat angles C4'-P-C4' energy: -115.383
flat angles P-C4'-P energy: -78.420
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -643.274808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.274808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.274808 (E_RNA)
where:
Base-Base interactions energy: -276.016
where: short stacking energy: -174.600
Base-Backbone interact. energy: 5.951
local terms energy: -373.209874
where:
bonds (distance) C4'-P energy: -113.833
bonds (distance) P-C4' energy: -134.636
flat angles C4'-P-C4' energy: -96.943
flat angles P-C4'-P energy: -49.878
tors. eta vs tors. theta energy: 22.080
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: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2386.725396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.725396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.725396 (E_RNA)
where:
Base-Base interactions energy: -1645.044
where: short stacking energy: -676.592
Base-Backbone interact. energy: 2.734
local terms energy: -744.415839
where:
bonds (distance) C4'-P energy: -139.620
bonds (distance) P-C4' energy: -153.163
flat angles C4'-P-C4' energy: -162.468
flat angles P-C4'-P energy: -115.462
tors. eta vs tors. theta energy: -173.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2252.824722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.824722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.824722 (E_RNA)
where:
Base-Base interactions energy: -1543.299
where: short stacking energy: -667.143
Base-Backbone interact. energy: -0.249
local terms energy: -709.276756
where:
bonds (distance) C4'-P energy: -127.458
bonds (distance) P-C4' energy: -128.179
flat angles C4'-P-C4' energy: -164.313
flat angles P-C4'-P energy: -101.952
tors. eta vs tors. theta energy: -187.375
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: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2190.644057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.644057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.644057 (E_RNA)
where:
Base-Base interactions energy: -1463.003
where: short stacking energy: -648.071
Base-Backbone interact. energy: 0.987
local terms energy: -728.627867
where:
bonds (distance) C4'-P energy: -135.644
bonds (distance) P-C4' energy: -146.164
flat angles C4'-P-C4' energy: -151.870
flat angles P-C4'-P energy: -107.832
tors. eta vs tors. theta energy: -187.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1917.992723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.992723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.992723 (E_RNA)
where:
Base-Base interactions energy: -1271.986
where: short stacking energy: -581.029
Base-Backbone interact. energy: 3.248
local terms energy: -649.255377
where:
bonds (distance) C4'-P energy: -130.289
bonds (distance) P-C4' energy: -135.372
flat angles C4'-P-C4' energy: -143.855
flat angles P-C4'-P energy: -93.202
tors. eta vs tors. theta energy: -146.537
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: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1734.889422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.889422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.889422 (E_RNA)
where:
Base-Base interactions energy: -1070.485
where: short stacking energy: -491.907
Base-Backbone interact. energy: -0.498
local terms energy: -663.906152
where:
bonds (distance) C4'-P energy: -137.371
bonds (distance) P-C4' energy: -138.707
flat angles C4'-P-C4' energy: -150.628
flat angles P-C4'-P energy: -96.609
tors. eta vs tors. theta energy: -140.592
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: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1707.651517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.651517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.651517 (E_RNA)
where:
Base-Base interactions energy: -1135.222
where: short stacking energy: -504.536
Base-Backbone interact. energy: -1.619
local terms energy: -570.811017
where:
bonds (distance) C4'-P energy: -111.034
bonds (distance) P-C4' energy: -127.469
flat angles C4'-P-C4' energy: -136.222
flat angles P-C4'-P energy: -94.099
tors. eta vs tors. theta energy: -101.986
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: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1463.534803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.534803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.534803 (E_RNA)
where:
Base-Base interactions energy: -895.061
where: short stacking energy: -436.097
Base-Backbone interact. energy: 1.059
local terms energy: -569.532456
where:
bonds (distance) C4'-P energy: -129.951
bonds (distance) P-C4' energy: -123.628
flat angles C4'-P-C4' energy: -128.854
flat angles P-C4'-P energy: -97.679
tors. eta vs tors. theta energy: -89.420
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: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1221.880011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.880011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.880011 (E_RNA)
where:
Base-Base interactions energy: -735.490
where: short stacking energy: -345.693
Base-Backbone interact. energy: -3.460
local terms energy: -482.930000
where:
bonds (distance) C4'-P energy: -125.377
bonds (distance) P-C4' energy: -126.205
flat angles C4'-P-C4' energy: -106.466
flat angles P-C4'-P energy: -55.158
tors. eta vs tors. theta energy: -69.725
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: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -935.026921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.026921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.026921 (E_RNA)
where:
Base-Base interactions energy: -504.619
where: short stacking energy: -262.783
Base-Backbone interact. energy: 5.788
local terms energy: -436.195901
where:
bonds (distance) C4'-P energy: -103.015
bonds (distance) P-C4' energy: -150.454
flat angles C4'-P-C4' energy: -87.160
flat angles P-C4'-P energy: -74.611
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -586.661428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.661428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.661428 (E_RNA)
where:
Base-Base interactions energy: -231.279
where: short stacking energy: -169.754
Base-Backbone interact. energy: -1.707
local terms energy: -353.675836
where:
bonds (distance) C4'-P energy: -106.865
bonds (distance) P-C4' energy: -122.596
flat angles C4'-P-C4' energy: -101.540
flat angles P-C4'-P energy: -56.742
tors. eta vs tors. theta energy: 34.066
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: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2413.292850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.292850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.292850 (E_RNA)
where:
Base-Base interactions energy: -1672.196
where: short stacking energy: -705.171
Base-Backbone interact. energy: -3.583
local terms energy: -737.513936
where:
bonds (distance) C4'-P energy: -152.776
bonds (distance) P-C4' energy: -138.340
flat angles C4'-P-C4' energy: -158.464
flat angles P-C4'-P energy: -101.508
tors. eta vs tors. theta energy: -186.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2297.008833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.008833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.008833 (E_RNA)
where:
Base-Base interactions energy: -1560.867
where: short stacking energy: -670.535
Base-Backbone interact. energy: -2.055
local terms energy: -734.087412
where:
bonds (distance) C4'-P energy: -156.738
bonds (distance) P-C4' energy: -140.571
flat angles C4'-P-C4' energy: -153.946
flat angles P-C4'-P energy: -94.228
tors. eta vs tors. theta energy: -188.605
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: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2157.850042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.850042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.850042 (E_RNA)
where:
Base-Base interactions energy: -1459.610
where: short stacking energy: -654.992
Base-Backbone interact. energy: -4.824
local terms energy: -693.415844
where:
bonds (distance) C4'-P energy: -134.885
bonds (distance) P-C4' energy: -127.390
flat angles C4'-P-C4' energy: -147.437
flat angles P-C4'-P energy: -108.052
tors. eta vs tors. theta energy: -175.652
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: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1930.957440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.957440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.957440 (E_RNA)
where:
Base-Base interactions energy: -1273.199
where: short stacking energy: -553.142
Base-Backbone interact. energy: -1.655
local terms energy: -656.103994
where:
bonds (distance) C4'-P energy: -134.181
bonds (distance) P-C4' energy: -136.607
flat angles C4'-P-C4' energy: -157.481
flat angles P-C4'-P energy: -83.561
tors. eta vs tors. theta energy: -144.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1702.784388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.784388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.784388 (E_RNA)
where:
Base-Base interactions energy: -1116.323
where: short stacking energy: -512.927
Base-Backbone interact. energy: -0.827
local terms energy: -585.634831
where:
bonds (distance) C4'-P energy: -100.254
bonds (distance) P-C4' energy: -136.137
flat angles C4'-P-C4' energy: -135.530
flat angles P-C4'-P energy: -106.729
tors. eta vs tors. theta energy: -106.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1598.419122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.419122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.419122 (E_RNA)
where:
Base-Base interactions energy: -1005.850
where: short stacking energy: -422.628
Base-Backbone interact. energy: -0.424
local terms energy: -592.145455
where:
bonds (distance) C4'-P energy: -121.206
bonds (distance) P-C4' energy: -127.453
flat angles C4'-P-C4' energy: -140.574
flat angles P-C4'-P energy: -88.415
tors. eta vs tors. theta energy: -114.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1416.441811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.441811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.441811 (E_RNA)
where:
Base-Base interactions energy: -885.816
where: short stacking energy: -411.742
Base-Backbone interact. energy: 1.175
local terms energy: -531.800345
where:
bonds (distance) C4'-P energy: -124.203
bonds (distance) P-C4' energy: -126.264
flat angles C4'-P-C4' energy: -135.378
flat angles P-C4'-P energy: -75.221
tors. eta vs tors. theta energy: -70.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1189.161809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.161809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.161809 (E_RNA)
where:
Base-Base interactions energy: -680.847
where: short stacking energy: -355.307
Base-Backbone interact. energy: -0.515
local terms energy: -507.800384
where:
bonds (distance) C4'-P energy: -118.591
bonds (distance) P-C4' energy: -116.989
flat angles C4'-P-C4' energy: -117.696
flat angles P-C4'-P energy: -98.549
tors. eta vs tors. theta energy: -55.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -922.429320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.429320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.429320 (E_RNA)
where:
Base-Base interactions energy: -478.533
where: short stacking energy: -256.618
Base-Backbone interact. energy: 2.158
local terms energy: -446.055030
where:
bonds (distance) C4'-P energy: -113.954
bonds (distance) P-C4' energy: -115.123
flat angles C4'-P-C4' energy: -118.005
flat angles P-C4'-P energy: -94.716
tors. eta vs tors. theta energy: -4.257
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: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -592.702384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.702384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.702384 (E_RNA)
where:
Base-Base interactions energy: -195.013
where: short stacking energy: -142.690
Base-Backbone interact. energy: -1.105
local terms energy: -396.583824
where:
bonds (distance) C4'-P energy: -120.747
bonds (distance) P-C4' energy: -118.849
flat angles C4'-P-C4' energy: -101.275
flat angles P-C4'-P energy: -80.828
tors. eta vs tors. theta energy: 25.115
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: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2419.760402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.760402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.760402 (E_RNA)
where:
Base-Base interactions energy: -1677.404
where: short stacking energy: -699.128
Base-Backbone interact. energy: -2.448
local terms energy: -739.908424
where:
bonds (distance) C4'-P energy: -137.221
bonds (distance) P-C4' energy: -149.190
flat angles C4'-P-C4' energy: -159.209
flat angles P-C4'-P energy: -109.891
tors. eta vs tors. theta energy: -184.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2279.867518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.867518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.867518 (E_RNA)
where:
Base-Base interactions energy: -1576.566
where: short stacking energy: -658.702
Base-Backbone interact. energy: -2.962
local terms energy: -700.339060
where:
bonds (distance) C4'-P energy: -136.509
bonds (distance) P-C4' energy: -124.470
flat angles C4'-P-C4' energy: -158.736
flat angles P-C4'-P energy: -102.090
tors. eta vs tors. theta energy: -178.533
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: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2189.831908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.831908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.831908 (E_RNA)
where:
Base-Base interactions energy: -1475.681
where: short stacking energy: -640.036
Base-Backbone interact. energy: -3.533
local terms energy: -710.618046
where:
bonds (distance) C4'-P energy: -146.069
bonds (distance) P-C4' energy: -153.586
flat angles C4'-P-C4' energy: -146.073
flat angles P-C4'-P energy: -83.942
tors. eta vs tors. theta energy: -180.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2010.660960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.660960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.660960 (E_RNA)
where:
Base-Base interactions energy: -1347.068
where: short stacking energy: -602.661
Base-Backbone interact. energy: -0.568
local terms energy: -663.024275
where:
bonds (distance) C4'-P energy: -136.364
bonds (distance) P-C4' energy: -144.479
flat angles C4'-P-C4' energy: -145.913
flat angles P-C4'-P energy: -87.867
tors. eta vs tors. theta energy: -148.401
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: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1729.349192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.349192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.349192 (E_RNA)
where:
Base-Base interactions energy: -1123.913
where: short stacking energy: -528.996
Base-Backbone interact. energy: -2.402
local terms energy: -603.033709
where:
bonds (distance) C4'-P energy: -117.276
bonds (distance) P-C4' energy: -143.376
flat angles C4'-P-C4' energy: -119.204
flat angles P-C4'-P energy: -102.850
tors. eta vs tors. theta energy: -120.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1559.232347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.232347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.232347 (E_RNA)
where:
Base-Base interactions energy: -992.415
where: short stacking energy: -435.312
Base-Backbone interact. energy: -0.674
local terms energy: -566.143400
where:
bonds (distance) C4'-P energy: -130.607
bonds (distance) P-C4' energy: -121.869
flat angles C4'-P-C4' energy: -134.788
flat angles P-C4'-P energy: -86.649
tors. eta vs tors. theta energy: -92.231
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: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1482.778210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.778210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.778210 (E_RNA)
where:
Base-Base interactions energy: -940.570
where: short stacking energy: -440.591
Base-Backbone interact. energy: -2.785
local terms energy: -539.423409
where:
bonds (distance) C4'-P energy: -113.188
bonds (distance) P-C4' energy: -131.753
flat angles C4'-P-C4' energy: -124.590
flat angles P-C4'-P energy: -63.987
tors. eta vs tors. theta energy: -105.906
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: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1152.884423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.884423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.884423 (E_RNA)
where:
Base-Base interactions energy: -660.952
where: short stacking energy: -339.573
Base-Backbone interact. energy: -2.059
local terms energy: -489.874014
where:
bonds (distance) C4'-P energy: -108.365
bonds (distance) P-C4' energy: -128.341
flat angles C4'-P-C4' energy: -122.649
flat angles P-C4'-P energy: -71.825
tors. eta vs tors. theta energy: -58.694
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: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -886.623169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.623169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.623169 (E_RNA)
where:
Base-Base interactions energy: -482.351
where: short stacking energy: -245.675
Base-Backbone interact. energy: -0.675
local terms energy: -403.597109
where:
bonds (distance) C4'-P energy: -123.566
bonds (distance) P-C4' energy: -107.182
flat angles C4'-P-C4' energy: -117.402
flat angles P-C4'-P energy: -39.907
tors. eta vs tors. theta energy: -15.539
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: 57
Temperature: 1.350000
Total energy: -604.230870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.230870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.230870 (E_RNA)
where:
Base-Base interactions energy: -251.326
where: short stacking energy: -170.317
Base-Backbone interact. energy: -0.667
local terms energy: -352.238120
where:
bonds (distance) C4'-P energy: -121.930
bonds (distance) P-C4' energy: -118.449
flat angles C4'-P-C4' energy: -72.787
flat angles P-C4'-P energy: -60.193
tors. eta vs tors. theta energy: 21.120
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: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2381.373192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.373192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.373192 (E_RNA)
where:
Base-Base interactions energy: -1642.195
where: short stacking energy: -683.014
Base-Backbone interact. energy: -4.263
local terms energy: -734.914819
where:
bonds (distance) C4'-P energy: -138.378
bonds (distance) P-C4' energy: -131.490
flat angles C4'-P-C4' energy: -171.064
flat angles P-C4'-P energy: -125.815
tors. eta vs tors. theta energy: -168.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2270.915270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.915270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.915270 (E_RNA)
where:
Base-Base interactions energy: -1534.138
where: short stacking energy: -671.356
Base-Backbone interact. energy: -1.178
local terms energy: -735.598674
where:
bonds (distance) C4'-P energy: -145.882
bonds (distance) P-C4' energy: -131.912
flat angles C4'-P-C4' energy: -157.682
flat angles P-C4'-P energy: -111.151
tors. eta vs tors. theta energy: -188.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2196.414446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.414446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.414446 (E_RNA)
where:
Base-Base interactions energy: -1496.722
where: short stacking energy: -674.097
Base-Backbone interact. energy: -8.134
local terms energy: -691.559042
where:
bonds (distance) C4'-P energy: -132.299
bonds (distance) P-C4' energy: -139.270
flat angles C4'-P-C4' energy: -146.360
flat angles P-C4'-P energy: -89.804
tors. eta vs tors. theta energy: -183.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2046.394517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.394517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.394517 (E_RNA)
where:
Base-Base interactions energy: -1377.806
where: short stacking energy: -596.649
Base-Backbone interact. energy: -2.881
local terms energy: -665.706771
where:
bonds (distance) C4'-P energy: -138.907
bonds (distance) P-C4' energy: -139.863
flat angles C4'-P-C4' energy: -150.734
flat angles P-C4'-P energy: -76.696
tors. eta vs tors. theta energy: -159.507
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: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1759.720378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.720378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.720378 (E_RNA)
where:
Base-Base interactions energy: -1098.427
where: short stacking energy: -523.709
Base-Backbone interact. energy: -0.598
local terms energy: -660.695996
where:
bonds (distance) C4'-P energy: -118.675
bonds (distance) P-C4' energy: -146.512
flat angles C4'-P-C4' energy: -147.635
flat angles P-C4'-P energy: -106.869
tors. eta vs tors. theta energy: -141.006
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: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1696.652235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.652235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.652235 (E_RNA)
where:
Base-Base interactions energy: -1090.233
where: short stacking energy: -517.874
Base-Backbone interact. energy: -2.245
local terms energy: -604.174125
where:
bonds (distance) C4'-P energy: -119.250
bonds (distance) P-C4' energy: -138.554
flat angles C4'-P-C4' energy: -135.390
flat angles P-C4'-P energy: -87.117
tors. eta vs tors. theta energy: -123.863
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: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1529.664910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.664910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.664910 (E_RNA)
where:
Base-Base interactions energy: -959.731
where: short stacking energy: -473.889
Base-Backbone interact. energy: -7.201
local terms energy: -562.732482
where:
bonds (distance) C4'-P energy: -116.780
bonds (distance) P-C4' energy: -138.458
flat angles C4'-P-C4' energy: -126.029
flat angles P-C4'-P energy: -75.282
tors. eta vs tors. theta energy: -106.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1113.026807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.026807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.026807 (E_RNA)
where:
Base-Base interactions energy: -614.116
where: short stacking energy: -312.103
Base-Backbone interact. energy: -4.916
local terms energy: -493.994346
where:
bonds (distance) C4'-P energy: -138.823
bonds (distance) P-C4' energy: -128.000
flat angles C4'-P-C4' energy: -102.474
flat angles P-C4'-P energy: -82.292
tors. eta vs tors. theta energy: -42.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -915.899681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.899681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.899681 (E_RNA)
where:
Base-Base interactions energy: -517.321
where: short stacking energy: -269.615
Base-Backbone interact. energy: -1.920
local terms energy: -396.658680
where:
bonds (distance) C4'-P energy: -112.641
bonds (distance) P-C4' energy: -124.280
flat angles C4'-P-C4' energy: -85.571
flat angles P-C4'-P energy: -60.193
tors. eta vs tors. theta energy: -13.973
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -568.413872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.413872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.413872 (E_RNA)
where:
Base-Base interactions energy: -162.292
where: short stacking energy: -130.316
Base-Backbone interact. energy: 2.084
local terms energy: -408.205549
where:
bonds (distance) C4'-P energy: -121.752
bonds (distance) P-C4' energy: -134.790
flat angles C4'-P-C4' energy: -116.044
flat angles P-C4'-P energy: -59.838
tors. eta vs tors. theta energy: 24.218
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: 59
Temperature: 0.900000
Total energy: -2380.424395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.424395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.424395 (E_RNA)
where:
Base-Base interactions energy: -1622.761
where: short stacking energy: -676.247
Base-Backbone interact. energy: -8.024
local terms energy: -749.638754
where:
bonds (distance) C4'-P energy: -163.205
bonds (distance) P-C4' energy: -144.831
flat angles C4'-P-C4' energy: -152.111
flat angles P-C4'-P energy: -104.839
tors. eta vs tors. theta energy: -184.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2280.847898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.847898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.847898 (E_RNA)
where:
Base-Base interactions energy: -1561.050
where: short stacking energy: -654.594
Base-Backbone interact. energy: 0.828
local terms energy: -720.626366
where:
bonds (distance) C4'-P energy: -143.431
bonds (distance) P-C4' energy: -133.095
flat angles C4'-P-C4' energy: -160.298
flat angles P-C4'-P energy: -97.609
tors. eta vs tors. theta energy: -186.193
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: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2209.071844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.071844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.071844 (E_RNA)
where:
Base-Base interactions energy: -1480.065
where: short stacking energy: -653.064
Base-Backbone interact. energy: 0.484
local terms energy: -729.490846
where:
bonds (distance) C4'-P energy: -139.552
bonds (distance) P-C4' energy: -146.816
flat angles C4'-P-C4' energy: -158.968
flat angles P-C4'-P energy: -107.406
tors. eta vs tors. theta energy: -176.749
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: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2045.806026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.806026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.806026 (E_RNA)
where:
Base-Base interactions energy: -1359.411
where: short stacking energy: -634.173
Base-Backbone interact. energy: -4.712
local terms energy: -681.682221
where:
bonds (distance) C4'-P energy: -130.671
bonds (distance) P-C4' energy: -136.019
flat angles C4'-P-C4' energy: -151.807
flat angles P-C4'-P energy: -102.079
tors. eta vs tors. theta energy: -161.107
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: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1762.868408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.868408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.868408 (E_RNA)
where:
Base-Base interactions energy: -1134.702
where: short stacking energy: -526.874
Base-Backbone interact. energy: 2.213
local terms energy: -630.378833
where:
bonds (distance) C4'-P energy: -145.534
bonds (distance) P-C4' energy: -132.812
flat angles C4'-P-C4' energy: -134.628
flat angles P-C4'-P energy: -91.532
tors. eta vs tors. theta energy: -125.871
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: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1624.285204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.285204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.285204 (E_RNA)
where:
Base-Base interactions energy: -1022.682
where: short stacking energy: -478.027
Base-Backbone interact. energy: -0.503
local terms energy: -601.100091
where:
bonds (distance) C4'-P energy: -129.548
bonds (distance) P-C4' energy: -119.990
flat angles C4'-P-C4' energy: -137.071
flat angles P-C4'-P energy: -88.848
tors. eta vs tors. theta energy: -125.643
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: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1450.528091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.528091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.528091 (E_RNA)
where:
Base-Base interactions energy: -879.685
where: short stacking energy: -412.076
Base-Backbone interact. energy: -0.842
local terms energy: -570.001440
where:
bonds (distance) C4'-P energy: -134.072
bonds (distance) P-C4' energy: -131.909
flat angles C4'-P-C4' energy: -130.836
flat angles P-C4'-P energy: -91.223
tors. eta vs tors. theta energy: -81.960
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: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1167.975354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.975354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.975354 (E_RNA)
where:
Base-Base interactions energy: -695.203
where: short stacking energy: -354.261
Base-Backbone interact. energy: 1.590
local terms energy: -474.362354
where:
bonds (distance) C4'-P energy: -110.494
bonds (distance) P-C4' energy: -125.443
flat angles C4'-P-C4' energy: -118.493
flat angles P-C4'-P energy: -62.792
tors. eta vs tors. theta energy: -57.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -864.176223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.176223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.176223 (E_RNA)
where:
Base-Base interactions energy: -433.999
where: short stacking energy: -252.047
Base-Backbone interact. energy: -1.553
local terms energy: -428.624617
where:
bonds (distance) C4'-P energy: -116.616
bonds (distance) P-C4' energy: -134.641
flat angles C4'-P-C4' energy: -107.547
flat angles P-C4'-P energy: -53.836
tors. eta vs tors. theta energy: -15.985
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: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -557.761912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.761912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.761912 (E_RNA)
where:
Base-Base interactions energy: -220.603
where: short stacking energy: -159.192
Base-Backbone interact. energy: 9.554
local terms energy: -346.713308
where:
bonds (distance) C4'-P energy: -105.545
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -104.263
flat angles P-C4'-P energy: -49.830
tors. eta vs tors. theta energy: 32.219
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: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2382.732869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.732869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.732869 (E_RNA)
where:
Base-Base interactions energy: -1654.748
where: short stacking energy: -716.881
Base-Backbone interact. energy: -5.867
local terms energy: -722.118282
where:
bonds (distance) C4'-P energy: -139.788
bonds (distance) P-C4' energy: -142.207
flat angles C4'-P-C4' energy: -147.140
flat angles P-C4'-P energy: -113.391
tors. eta vs tors. theta energy: -179.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2284.663114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.663114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.663114 (E_RNA)
where:
Base-Base interactions energy: -1550.861
where: short stacking energy: -658.041
Base-Backbone interact. energy: 2.179
local terms energy: -735.981207
where:
bonds (distance) C4'-P energy: -142.560
bonds (distance) P-C4' energy: -143.013
flat angles C4'-P-C4' energy: -153.224
flat angles P-C4'-P energy: -103.700
tors. eta vs tors. theta energy: -193.483
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: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2227.210675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.210675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.210675 (E_RNA)
where:
Base-Base interactions energy: -1532.390
where: short stacking energy: -660.249
Base-Backbone interact. energy: -0.990
local terms energy: -693.831278
where:
bonds (distance) C4'-P energy: -125.926
bonds (distance) P-C4' energy: -141.308
flat angles C4'-P-C4' energy: -152.438
flat angles P-C4'-P energy: -99.221
tors. eta vs tors. theta energy: -174.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2008.630143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.630143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.630143 (E_RNA)
where:
Base-Base interactions energy: -1326.528
where: short stacking energy: -565.287
Base-Backbone interact. energy: -1.841
local terms energy: -680.261416
where:
bonds (distance) C4'-P energy: -130.404
bonds (distance) P-C4' energy: -128.345
flat angles C4'-P-C4' energy: -153.917
flat angles P-C4'-P energy: -101.630
tors. eta vs tors. theta energy: -165.966
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: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1710.788792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.788792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.788792 (E_RNA)
where:
Base-Base interactions energy: -1106.147
where: short stacking energy: -523.728
Base-Backbone interact. energy: 0.989
local terms energy: -605.631192
where:
bonds (distance) C4'-P energy: -122.072
bonds (distance) P-C4' energy: -121.115
flat angles C4'-P-C4' energy: -144.977
flat angles P-C4'-P energy: -94.022
tors. eta vs tors. theta energy: -123.445
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: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1664.806538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.806538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.806538 (E_RNA)
where:
Base-Base interactions energy: -1115.125
where: short stacking energy: -490.050
Base-Backbone interact. energy: -4.029
local terms energy: -545.652063
where:
bonds (distance) C4'-P energy: -110.656
bonds (distance) P-C4' energy: -125.891
flat angles C4'-P-C4' energy: -123.594
flat angles P-C4'-P energy: -68.215
tors. eta vs tors. theta energy: -117.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1466.632348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.632348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.632348 (E_RNA)
where:
Base-Base interactions energy: -905.765
where: short stacking energy: -437.767
Base-Backbone interact. energy: -1.820
local terms energy: -559.047580
where:
bonds (distance) C4'-P energy: -115.938
bonds (distance) P-C4' energy: -130.398
flat angles C4'-P-C4' energy: -124.219
flat angles P-C4'-P energy: -98.802
tors. eta vs tors. theta energy: -89.689
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: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1116.196294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.196294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.196294 (E_RNA)
where:
Base-Base interactions energy: -645.033
where: short stacking energy: -326.730
Base-Backbone interact. energy: -1.673
local terms energy: -469.490147
where:
bonds (distance) C4'-P energy: -113.239
bonds (distance) P-C4' energy: -136.339
flat angles C4'-P-C4' energy: -105.548
flat angles P-C4'-P energy: -87.573
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -886.658399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.658399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.658399 (E_RNA)
where:
Base-Base interactions energy: -448.647
where: short stacking energy: -272.046
Base-Backbone interact. energy: -1.686
local terms energy: -436.324810
where:
bonds (distance) C4'-P energy: -107.545
bonds (distance) P-C4' energy: -116.863
flat angles C4'-P-C4' energy: -122.037
flat angles P-C4'-P energy: -60.247
tors. eta vs tors. theta energy: -29.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -552.056042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.056042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.056042 (E_RNA)
where:
Base-Base interactions energy: -204.819
where: short stacking energy: -178.148
Base-Backbone interact. energy: 2.500
local terms energy: -349.737164
where:
bonds (distance) C4'-P energy: -101.902
bonds (distance) P-C4' energy: -117.978
flat angles C4'-P-C4' energy: -89.714
flat angles P-C4'-P energy: -59.231
tors. eta vs tors. theta energy: 19.088
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: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2381.591156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.591156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.591156 (E_RNA)
where:
Base-Base interactions energy: -1645.388
where: short stacking energy: -693.578
Base-Backbone interact. energy: -6.310
local terms energy: -729.892902
where:
bonds (distance) C4'-P energy: -143.766
bonds (distance) P-C4' energy: -145.492
flat angles C4'-P-C4' energy: -164.699
flat angles P-C4'-P energy: -99.084
tors. eta vs tors. theta energy: -176.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2284.421920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.421920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.421920 (E_RNA)
where:
Base-Base interactions energy: -1536.811
where: short stacking energy: -647.607
Base-Backbone interact. energy: -0.318
local terms energy: -747.293105
where:
bonds (distance) C4'-P energy: -136.687
bonds (distance) P-C4' energy: -147.363
flat angles C4'-P-C4' energy: -170.555
flat angles P-C4'-P energy: -100.276
tors. eta vs tors. theta energy: -192.412
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: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2167.396237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.396237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.396237 (E_RNA)
where:
Base-Base interactions energy: -1445.945
where: short stacking energy: -630.335
Base-Backbone interact. energy: -1.671
local terms energy: -719.779523
where:
bonds (distance) C4'-P energy: -137.734
bonds (distance) P-C4' energy: -146.663
flat angles C4'-P-C4' energy: -156.549
flat angles P-C4'-P energy: -107.396
tors. eta vs tors. theta energy: -171.439
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: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1947.651686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.651686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.651686 (E_RNA)
where:
Base-Base interactions energy: -1312.464
where: short stacking energy: -576.912
Base-Backbone interact. energy: -6.327
local terms energy: -628.860553
where:
bonds (distance) C4'-P energy: -112.213
bonds (distance) P-C4' energy: -130.345
flat angles C4'-P-C4' energy: -149.127
flat angles P-C4'-P energy: -93.857
tors. eta vs tors. theta energy: -143.319
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: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1705.242862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.242862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.242862 (E_RNA)
where:
Base-Base interactions energy: -1102.329
where: short stacking energy: -521.665
Base-Backbone interact. energy: 8.418
local terms energy: -611.332068
where:
bonds (distance) C4'-P energy: -124.410
bonds (distance) P-C4' energy: -136.965
flat angles C4'-P-C4' energy: -135.522
flat angles P-C4'-P energy: -88.856
tors. eta vs tors. theta energy: -125.579
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: 6, replica: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1695.788512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.788512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.788512 (E_RNA)
where:
Base-Base interactions energy: -1123.139
where: short stacking energy: -528.100
Base-Backbone interact. energy: -2.029
local terms energy: -570.619829
where:
bonds (distance) C4'-P energy: -130.016
bonds (distance) P-C4' energy: -126.082
flat angles C4'-P-C4' energy: -122.284
flat angles P-C4'-P energy: -76.109
tors. eta vs tors. theta energy: -116.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1495.409915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.409915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.409915 (E_RNA)
where:
Base-Base interactions energy: -948.174
where: short stacking energy: -465.927
Base-Backbone interact. energy: 0.461
local terms energy: -547.697160
where:
bonds (distance) C4'-P energy: -102.349
bonds (distance) P-C4' energy: -135.805
flat angles C4'-P-C4' energy: -128.156
flat angles P-C4'-P energy: -73.064
tors. eta vs tors. theta energy: -108.323
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: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1103.910626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.910626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.910626 (E_RNA)
where:
Base-Base interactions energy: -625.367
where: short stacking energy: -331.638
Base-Backbone interact. energy: -3.503
local terms energy: -475.040399
where:
bonds (distance) C4'-P energy: -106.195
bonds (distance) P-C4' energy: -128.504
flat angles C4'-P-C4' energy: -114.970
flat angles P-C4'-P energy: -72.914
tors. eta vs tors. theta energy: -52.457
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: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -908.673087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.673087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.673087 (E_RNA)
where:
Base-Base interactions energy: -503.834
where: short stacking energy: -298.145
Base-Backbone interact. energy: -2.245
local terms energy: -402.594032
where:
bonds (distance) C4'-P energy: -83.979
bonds (distance) P-C4' energy: -131.945
flat angles C4'-P-C4' energy: -106.163
flat angles P-C4'-P energy: -59.617
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -545.937672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.937672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.937672 (E_RNA)
where:
Base-Base interactions energy: -166.507
where: short stacking energy: -135.217
Base-Backbone interact. energy: -1.696
local terms energy: -377.735003
where:
bonds (distance) C4'-P energy: -134.799
bonds (distance) P-C4' energy: -136.868
flat angles C4'-P-C4' energy: -103.786
flat angles P-C4'-P energy: -49.566
tors. eta vs tors. theta energy: 47.284
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: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2396.207079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.207079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.207079 (E_RNA)
where:
Base-Base interactions energy: -1659.510
where: short stacking energy: -684.640
Base-Backbone interact. energy: -2.863
local terms energy: -733.834740
where:
bonds (distance) C4'-P energy: -145.418
bonds (distance) P-C4' energy: -156.394
flat angles C4'-P-C4' energy: -162.459
flat angles P-C4'-P energy: -90.494
tors. eta vs tors. theta energy: -179.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2270.366263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.366263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.366263 (E_RNA)
where:
Base-Base interactions energy: -1562.458
where: short stacking energy: -682.849
Base-Backbone interact. energy: -1.529
local terms energy: -706.379168
where:
bonds (distance) C4'-P energy: -137.342
bonds (distance) P-C4' energy: -143.594
flat angles C4'-P-C4' energy: -143.157
flat angles P-C4'-P energy: -103.084
tors. eta vs tors. theta energy: -179.202
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: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2204.065629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.065629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.065629 (E_RNA)
where:
Base-Base interactions energy: -1473.412
where: short stacking energy: -668.435
Base-Backbone interact. energy: 0.442
local terms energy: -731.095485
where:
bonds (distance) C4'-P energy: -135.763
bonds (distance) P-C4' energy: -139.882
flat angles C4'-P-C4' energy: -157.735
flat angles P-C4'-P energy: -108.077
tors. eta vs tors. theta energy: -189.637
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: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1969.426160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.426160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.426160 (E_RNA)
where:
Base-Base interactions energy: -1322.455
where: short stacking energy: -577.785
Base-Backbone interact. energy: -3.180
local terms energy: -643.791067
where:
bonds (distance) C4'-P energy: -115.975
bonds (distance) P-C4' energy: -145.458
flat angles C4'-P-C4' energy: -147.095
flat angles P-C4'-P energy: -105.228
tors. eta vs tors. theta energy: -130.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1687.074006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.074006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.074006 (E_RNA)
where:
Base-Base interactions energy: -1084.460
where: short stacking energy: -494.780
Base-Backbone interact. energy: -0.988
local terms energy: -601.626120
where:
bonds (distance) C4'-P energy: -129.299
bonds (distance) P-C4' energy: -154.492
flat angles C4'-P-C4' energy: -131.401
flat angles P-C4'-P energy: -75.466
tors. eta vs tors. theta energy: -110.967
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: 6, replica: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1680.474070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.474070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.474070 (E_RNA)
where:
Base-Base interactions energy: -1101.333
where: short stacking energy: -515.703
Base-Backbone interact. energy: -0.137
local terms energy: -579.003724
where:
bonds (distance) C4'-P energy: -101.993
bonds (distance) P-C4' energy: -134.242
flat angles C4'-P-C4' energy: -123.284
flat angles P-C4'-P energy: -87.914
tors. eta vs tors. theta energy: -131.571
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: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1489.346073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.346073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.346073 (E_RNA)
where:
Base-Base interactions energy: -969.531
where: short stacking energy: -453.230
Base-Backbone interact. energy: -2.715
local terms energy: -517.100383
where:
bonds (distance) C4'-P energy: -104.165
bonds (distance) P-C4' energy: -129.366
flat angles C4'-P-C4' energy: -139.196
flat angles P-C4'-P energy: -50.480
tors. eta vs tors. theta energy: -93.894
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: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1099.603922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.603922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.603922 (E_RNA)
where:
Base-Base interactions energy: -628.018
where: short stacking energy: -305.084
Base-Backbone interact. energy: -1.506
local terms energy: -470.079893
where:
bonds (distance) C4'-P energy: -124.608
bonds (distance) P-C4' energy: -144.164
flat angles C4'-P-C4' energy: -97.668
flat angles P-C4'-P energy: -72.360
tors. eta vs tors. theta energy: -31.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -937.853163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.853163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.853163 (E_RNA)
where:
Base-Base interactions energy: -481.017
where: short stacking energy: -271.850
Base-Backbone interact. energy: 6.297
local terms energy: -463.133327
where:
bonds (distance) C4'-P energy: -112.403
bonds (distance) P-C4' energy: -119.193
flat angles C4'-P-C4' energy: -112.618
flat angles P-C4'-P energy: -88.220
tors. eta vs tors. theta energy: -30.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -547.703111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.703111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.703111 (E_RNA)
where:
Base-Base interactions energy: -188.808
where: short stacking energy: -156.766
Base-Backbone interact. energy: -0.074
local terms energy: -358.820732
where:
bonds (distance) C4'-P energy: -119.605
bonds (distance) P-C4' energy: -111.546
flat angles C4'-P-C4' energy: -101.402
flat angles P-C4'-P energy: -47.476
tors. eta vs tors. theta energy: 21.209
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: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2418.463689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.463689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.463689 (E_RNA)
where:
Base-Base interactions energy: -1695.194
where: short stacking energy: -713.999
Base-Backbone interact. energy: -4.475
local terms energy: -718.795043
where:
bonds (distance) C4'-P energy: -129.454
bonds (distance) P-C4' energy: -140.554
flat angles C4'-P-C4' energy: -157.826
flat angles P-C4'-P energy: -105.736
tors. eta vs tors. theta energy: -185.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2314.105249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.105249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.105249 (E_RNA)
where:
Base-Base interactions energy: -1575.056
where: short stacking energy: -660.732
Base-Backbone interact. energy: -3.482
local terms energy: -735.566631
where:
bonds (distance) C4'-P energy: -145.065
bonds (distance) P-C4' energy: -140.421
flat angles C4'-P-C4' energy: -158.086
flat angles P-C4'-P energy: -107.414
tors. eta vs tors. theta energy: -184.581
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: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2178.227201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.227201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.227201 (E_RNA)
where:
Base-Base interactions energy: -1455.425
where: short stacking energy: -652.641
Base-Backbone interact. energy: -4.200
local terms energy: -718.602294
where:
bonds (distance) C4'-P energy: -134.473
bonds (distance) P-C4' energy: -131.956
flat angles C4'-P-C4' energy: -157.342
flat angles P-C4'-P energy: -110.002
tors. eta vs tors. theta energy: -184.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1949.845875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.845875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.845875 (E_RNA)
where:
Base-Base interactions energy: -1317.314
where: short stacking energy: -576.111
Base-Backbone interact. energy: -2.942
local terms energy: -629.589988
where:
bonds (distance) C4'-P energy: -142.002
bonds (distance) P-C4' energy: -124.066
flat angles C4'-P-C4' energy: -145.850
flat angles P-C4'-P energy: -79.685
tors. eta vs tors. theta energy: -137.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1646.596945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.596945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.596945 (E_RNA)
where:
Base-Base interactions energy: -1069.625
where: short stacking energy: -506.112
Base-Backbone interact. energy: -0.607
local terms energy: -576.364504
where:
bonds (distance) C4'-P energy: -145.670
bonds (distance) P-C4' energy: -120.641
flat angles C4'-P-C4' energy: -125.650
flat angles P-C4'-P energy: -88.849
tors. eta vs tors. theta energy: -95.555
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: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1657.694365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.694365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.694365 (E_RNA)
where:
Base-Base interactions energy: -1050.682
where: short stacking energy: -480.371
Base-Backbone interact. energy: -1.506
local terms energy: -605.505882
where:
bonds (distance) C4'-P energy: -136.976
bonds (distance) P-C4' energy: -129.381
flat angles C4'-P-C4' energy: -148.164
flat angles P-C4'-P energy: -90.591
tors. eta vs tors. theta energy: -100.395
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: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1541.899524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.899524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.899524 (E_RNA)
where:
Base-Base interactions energy: -963.938
where: short stacking energy: -445.821
Base-Backbone interact. energy: -3.859
local terms energy: -574.102634
where:
bonds (distance) C4'-P energy: -130.511
bonds (distance) P-C4' energy: -139.264
flat angles C4'-P-C4' energy: -135.670
flat angles P-C4'-P energy: -76.667
tors. eta vs tors. theta energy: -91.991
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: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1101.744807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.744807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.744807 (E_RNA)
where:
Base-Base interactions energy: -624.253
where: short stacking energy: -311.246
Base-Backbone interact. energy: -2.434
local terms energy: -475.057647
where:
bonds (distance) C4'-P energy: -116.672
bonds (distance) P-C4' energy: -128.410
flat angles C4'-P-C4' energy: -125.427
flat angles P-C4'-P energy: -74.270
tors. eta vs tors. theta energy: -30.278
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: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -893.743531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.743531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.743531 (E_RNA)
where:
Base-Base interactions energy: -494.805
where: short stacking energy: -256.847
Base-Backbone interact. energy: -1.414
local terms energy: -397.525066
where:
bonds (distance) C4'-P energy: -105.267
bonds (distance) P-C4' energy: -122.211
flat angles C4'-P-C4' energy: -104.064
flat angles P-C4'-P energy: -62.249
tors. eta vs tors. theta energy: -3.733
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: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -589.554464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.554464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.554464 (E_RNA)
where:
Base-Base interactions energy: -216.895
where: short stacking energy: -161.541
Base-Backbone interact. energy: -1.180
local terms energy: -371.479764
where:
bonds (distance) C4'-P energy: -98.160
bonds (distance) P-C4' energy: -134.645
flat angles C4'-P-C4' energy: -93.350
flat angles P-C4'-P energy: -73.139
tors. eta vs tors. theta energy: 27.814
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: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2349.781859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.781859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.781859 (E_RNA)
where:
Base-Base interactions energy: -1618.973
where: short stacking energy: -722.784
Base-Backbone interact. energy: -0.563
local terms energy: -730.246239
where:
bonds (distance) C4'-P energy: -145.112
bonds (distance) P-C4' energy: -146.391
flat angles C4'-P-C4' energy: -149.004
flat angles P-C4'-P energy: -102.768
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: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2327.656651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.656651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.656651 (E_RNA)
where:
Base-Base interactions energy: -1611.632
where: short stacking energy: -681.693
Base-Backbone interact. energy: 3.820
local terms energy: -719.844344
where:
bonds (distance) C4'-P energy: -134.138
bonds (distance) P-C4' energy: -143.542
flat angles C4'-P-C4' energy: -158.118
flat angles P-C4'-P energy: -107.427
tors. eta vs tors. theta energy: -176.619
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: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2183.178818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.178818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.178818 (E_RNA)
where:
Base-Base interactions energy: -1488.162
where: short stacking energy: -645.269
Base-Backbone interact. energy: -2.346
local terms energy: -692.670388
where:
bonds (distance) C4'-P energy: -129.594
bonds (distance) P-C4' energy: -134.649
flat angles C4'-P-C4' energy: -148.322
flat angles P-C4'-P energy: -110.020
tors. eta vs tors. theta energy: -170.084
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: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1922.866774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.866774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.866774 (E_RNA)
where:
Base-Base interactions energy: -1278.166
where: short stacking energy: -566.083
Base-Backbone interact. energy: -2.727
local terms energy: -641.974131
where:
bonds (distance) C4'-P energy: -134.023
bonds (distance) P-C4' energy: -131.328
flat angles C4'-P-C4' energy: -146.806
flat angles P-C4'-P energy: -89.313
tors. eta vs tors. theta energy: -140.504
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: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1722.257495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.257495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.257495 (E_RNA)
where:
Base-Base interactions energy: -1089.207
where: short stacking energy: -497.991
Base-Backbone interact. energy: -2.702
local terms energy: -630.348622
where:
bonds (distance) C4'-P energy: -130.264
bonds (distance) P-C4' energy: -146.139
flat angles C4'-P-C4' energy: -145.104
flat angles P-C4'-P energy: -75.454
tors. eta vs tors. theta energy: -133.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1695.718027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.718027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.718027 (E_RNA)
where:
Base-Base interactions energy: -1089.381
where: short stacking energy: -475.588
Base-Backbone interact. energy: 1.783
local terms energy: -608.120389
where:
bonds (distance) C4'-P energy: -141.071
bonds (distance) P-C4' energy: -129.332
flat angles C4'-P-C4' energy: -147.450
flat angles P-C4'-P energy: -68.626
tors. eta vs tors. theta energy: -121.642
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: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1461.839266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.839266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.839266 (E_RNA)
where:
Base-Base interactions energy: -923.743
where: short stacking energy: -426.102
Base-Backbone interact. energy: -2.908
local terms energy: -535.188364
where:
bonds (distance) C4'-P energy: -132.046
bonds (distance) P-C4' energy: -104.700
flat angles C4'-P-C4' energy: -125.323
flat angles P-C4'-P energy: -83.954
tors. eta vs tors. theta energy: -89.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1147.671988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.671988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.671988 (E_RNA)
where:
Base-Base interactions energy: -671.018
where: short stacking energy: -318.896
Base-Backbone interact. energy: 1.126
local terms energy: -477.780354
where:
bonds (distance) C4'-P energy: -116.122
bonds (distance) P-C4' energy: -120.718
flat angles C4'-P-C4' energy: -127.959
flat angles P-C4'-P energy: -75.861
tors. eta vs tors. theta energy: -37.121
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: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -918.982890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.982890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.982890 (E_RNA)
where:
Base-Base interactions energy: -485.159
where: short stacking energy: -266.555
Base-Backbone interact. energy: -5.174
local terms energy: -428.650696
where:
bonds (distance) C4'-P energy: -93.615
bonds (distance) P-C4' energy: -129.415
flat angles C4'-P-C4' energy: -107.766
flat angles P-C4'-P energy: -73.362
tors. eta vs tors. theta energy: -24.492
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: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -566.428721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.428721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.428721 (E_RNA)
where:
Base-Base interactions energy: -179.044
where: short stacking energy: -152.984
Base-Backbone interact. energy: -3.665
local terms energy: -383.719709
where:
bonds (distance) C4'-P energy: -124.192
bonds (distance) P-C4' energy: -113.818
flat angles C4'-P-C4' energy: -106.129
flat angles P-C4'-P energy: -74.407
tors. eta vs tors. theta energy: 34.827
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: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2403.766189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.766189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.766189 (E_RNA)
where:
Base-Base interactions energy: -1607.671
where: short stacking energy: -709.937
Base-Backbone interact. energy: 0.127
local terms energy: -796.221579
where:
bonds (distance) C4'-P energy: -149.982
bonds (distance) P-C4' energy: -155.057
flat angles C4'-P-C4' energy: -170.510
flat angles P-C4'-P energy: -114.546
tors. eta vs tors. theta energy: -206.127
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: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2348.371263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.371263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.371263 (E_RNA)
where:
Base-Base interactions energy: -1624.540
where: short stacking energy: -659.942
Base-Backbone interact. energy: 2.886
local terms energy: -726.717292
where:
bonds (distance) C4'-P energy: -143.966
bonds (distance) P-C4' energy: -157.826
flat angles C4'-P-C4' energy: -157.764
flat angles P-C4'-P energy: -90.907
tors. eta vs tors. theta energy: -176.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2228.006142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.006142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.006142 (E_RNA)
where:
Base-Base interactions energy: -1487.982
where: short stacking energy: -669.106
Base-Backbone interact. energy: -2.824
local terms energy: -737.200302
where:
bonds (distance) C4'-P energy: -126.127
bonds (distance) P-C4' energy: -143.030
flat angles C4'-P-C4' energy: -160.189
flat angles P-C4'-P energy: -108.299
tors. eta vs tors. theta energy: -199.556
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: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1961.234302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.234302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.234302 (E_RNA)
where:
Base-Base interactions energy: -1313.703
where: short stacking energy: -586.790
Base-Backbone interact. energy: -1.526
local terms energy: -646.005029
where:
bonds (distance) C4'-P energy: -114.955
bonds (distance) P-C4' energy: -148.440
flat angles C4'-P-C4' energy: -134.610
flat angles P-C4'-P energy: -100.972
tors. eta vs tors. theta energy: -147.028
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: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1709.133437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.133437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.133437 (E_RNA)
where:
Base-Base interactions energy: -1097.815
where: short stacking energy: -502.232
Base-Backbone interact. energy: -0.506
local terms energy: -610.812925
where:
bonds (distance) C4'-P energy: -119.835
bonds (distance) P-C4' energy: -131.604
flat angles C4'-P-C4' energy: -144.465
flat angles P-C4'-P energy: -82.132
tors. eta vs tors. theta energy: -132.777
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: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1717.207405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.207405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.207405 (E_RNA)
where:
Base-Base interactions energy: -1109.246
where: short stacking energy: -468.576
Base-Backbone interact. energy: -3.328
local terms energy: -604.633235
where:
bonds (distance) C4'-P energy: -132.716
bonds (distance) P-C4' energy: -133.949
flat angles C4'-P-C4' energy: -134.466
flat angles P-C4'-P energy: -87.764
tors. eta vs tors. theta energy: -115.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1529.575652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.575652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.575652 (E_RNA)
where:
Base-Base interactions energy: -978.640
where: short stacking energy: -454.566
Base-Backbone interact. energy: -1.910
local terms energy: -549.025474
where:
bonds (distance) C4'-P energy: -117.792
bonds (distance) P-C4' energy: -122.759
flat angles C4'-P-C4' energy: -140.082
flat angles P-C4'-P energy: -77.918
tors. eta vs tors. theta energy: -90.476
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: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1181.156290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.156290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.156290 (E_RNA)
where:
Base-Base interactions energy: -715.780
where: short stacking energy: -360.118
Base-Backbone interact. energy: 3.538
local terms energy: -468.914881
where:
bonds (distance) C4'-P energy: -114.422
bonds (distance) P-C4' energy: -146.856
flat angles C4'-P-C4' energy: -97.348
flat angles P-C4'-P energy: -57.312
tors. eta vs tors. theta energy: -52.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -983.404031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.404031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.404031 (E_RNA)
where:
Base-Base interactions energy: -578.836
where: short stacking energy: -286.853
Base-Backbone interact. energy: 0.125
local terms energy: -404.692722
where:
bonds (distance) C4'-P energy: -119.115
bonds (distance) P-C4' energy: -104.374
flat angles C4'-P-C4' energy: -92.788
flat angles P-C4'-P energy: -42.563
tors. eta vs tors. theta energy: -45.853
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: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -558.802007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.802007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.802007 (E_RNA)
where:
Base-Base interactions energy: -192.160
where: short stacking energy: -147.489
Base-Backbone interact. energy: -0.044
local terms energy: -366.598779
where:
bonds (distance) C4'-P energy: -131.634
bonds (distance) P-C4' energy: -111.021
flat angles C4'-P-C4' energy: -94.911
flat angles P-C4'-P energy: -61.736
tors. eta vs tors. theta energy: 32.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2372.092794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.092794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.092794 (E_RNA)
where:
Base-Base interactions energy: -1589.202
where: short stacking energy: -713.680
Base-Backbone interact. energy: -1.930
local terms energy: -780.960528
where:
bonds (distance) C4'-P energy: -140.708
bonds (distance) P-C4' energy: -157.503
flat angles C4'-P-C4' energy: -173.121
flat angles P-C4'-P energy: -105.509
tors. eta vs tors. theta energy: -204.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2345.004172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.004172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.004172 (E_RNA)
where:
Base-Base interactions energy: -1617.215
where: short stacking energy: -675.668
Base-Backbone interact. energy: -6.649
local terms energy: -721.140642
where:
bonds (distance) C4'-P energy: -150.092
bonds (distance) P-C4' energy: -132.455
flat angles C4'-P-C4' energy: -151.301
flat angles P-C4'-P energy: -103.346
tors. eta vs tors. theta energy: -183.947
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: 66
Temperature: 1.000000
Total energy: -2180.607695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.607695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.607695 (E_RNA)
where:
Base-Base interactions energy: -1499.377
where: short stacking energy: -629.258
Base-Backbone interact. energy: 3.217
local terms energy: -684.447524
where:
bonds (distance) C4'-P energy: -131.573
bonds (distance) P-C4' energy: -138.442
flat angles C4'-P-C4' energy: -154.113
flat angles P-C4'-P energy: -101.249
tors. eta vs tors. theta energy: -159.070
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: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1931.093808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.093808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.093808 (E_RNA)
where:
Base-Base interactions energy: -1276.604
where: short stacking energy: -586.632
Base-Backbone interact. energy: -0.128
local terms energy: -654.361687
where:
bonds (distance) C4'-P energy: -117.475
bonds (distance) P-C4' energy: -128.995
flat angles C4'-P-C4' energy: -147.737
flat angles P-C4'-P energy: -107.793
tors. eta vs tors. theta energy: -152.361
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: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1705.565117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.565117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.565117 (E_RNA)
where:
Base-Base interactions energy: -1091.026
where: short stacking energy: -505.455
Base-Backbone interact. energy: -2.368
local terms energy: -612.171190
where:
bonds (distance) C4'-P energy: -127.194
bonds (distance) P-C4' energy: -143.045
flat angles C4'-P-C4' energy: -134.302
flat angles P-C4'-P energy: -86.542
tors. eta vs tors. theta energy: -121.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1736.986290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.986290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.986290 (E_RNA)
where:
Base-Base interactions energy: -1104.273
where: short stacking energy: -531.182
Base-Backbone interact. energy: 0.109
local terms energy: -632.822434
where:
bonds (distance) C4'-P energy: -118.327
bonds (distance) P-C4' energy: -132.064
flat angles C4'-P-C4' energy: -148.320
flat angles P-C4'-P energy: -89.702
tors. eta vs tors. theta energy: -144.409
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: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1592.751556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.751556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.751556 (E_RNA)
where:
Base-Base interactions energy: -1014.526
where: short stacking energy: -464.006
Base-Backbone interact. energy: 0.889
local terms energy: -579.115053
where:
bonds (distance) C4'-P energy: -117.068
bonds (distance) P-C4' energy: -134.125
flat angles C4'-P-C4' energy: -131.521
flat angles P-C4'-P energy: -92.842
tors. eta vs tors. theta energy: -103.558
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: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1125.278211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.278211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.278211 (E_RNA)
where:
Base-Base interactions energy: -656.545
where: short stacking energy: -337.727
Base-Backbone interact. energy: 9.538
local terms energy: -478.271059
where:
bonds (distance) C4'-P energy: -118.847
bonds (distance) P-C4' energy: -107.822
flat angles C4'-P-C4' energy: -124.289
flat angles P-C4'-P energy: -81.882
tors. eta vs tors. theta energy: -45.431
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: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -974.567790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.567790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.567790 (E_RNA)
where:
Base-Base interactions energy: -551.571
where: short stacking energy: -266.126
Base-Backbone interact. energy: -1.744
local terms energy: -421.253050
where:
bonds (distance) C4'-P energy: -134.779
bonds (distance) P-C4' energy: -113.490
flat angles C4'-P-C4' energy: -112.775
flat angles P-C4'-P energy: -60.860
tors. eta vs tors. theta energy: 0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -557.864105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.864105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.864105 (E_RNA)
where:
Base-Base interactions energy: -205.435
where: short stacking energy: -170.734
Base-Backbone interact. energy: -1.462
local terms energy: -350.966355
where:
bonds (distance) C4'-P energy: -99.839
bonds (distance) P-C4' energy: -104.939
flat angles C4'-P-C4' energy: -103.983
flat angles P-C4'-P energy: -57.625
tors. eta vs tors. theta energy: 15.420
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: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2383.543721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.543721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.543721 (E_RNA)
where:
Base-Base interactions energy: -1628.843
where: short stacking energy: -684.761
Base-Backbone interact. energy: -2.631
local terms energy: -752.070334
where:
bonds (distance) C4'-P energy: -139.892
bonds (distance) P-C4' energy: -153.235
flat angles C4'-P-C4' energy: -162.648
flat angles P-C4'-P energy: -98.469
tors. eta vs tors. theta energy: -197.826
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2316.017851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.017851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.017851 (E_RNA)
where:
Base-Base interactions energy: -1599.221
where: short stacking energy: -670.889
Base-Backbone interact. energy: -1.856
local terms energy: -714.941060
where:
bonds (distance) C4'-P energy: -130.451
bonds (distance) P-C4' energy: -138.468
flat angles C4'-P-C4' energy: -156.075
flat angles P-C4'-P energy: -112.400
tors. eta vs tors. theta energy: -177.547
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: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2195.383117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.383117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.383117 (E_RNA)
where:
Base-Base interactions energy: -1481.486
where: short stacking energy: -669.901
Base-Backbone interact. energy: -2.058
local terms energy: -711.838890
where:
bonds (distance) C4'-P energy: -133.864
bonds (distance) P-C4' energy: -141.179
flat angles C4'-P-C4' energy: -150.588
flat angles P-C4'-P energy: -101.016
tors. eta vs tors. theta energy: -185.192
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: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1964.908386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.908386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.908386 (E_RNA)
where:
Base-Base interactions energy: -1334.552
where: short stacking energy: -571.964
Base-Backbone interact. energy: -1.122
local terms energy: -629.233572
where:
bonds (distance) C4'-P energy: -127.241
bonds (distance) P-C4' energy: -128.413
flat angles C4'-P-C4' energy: -153.928
flat angles P-C4'-P energy: -74.016
tors. eta vs tors. theta energy: -145.636
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: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1743.336646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.336646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.336646 (E_RNA)
where:
Base-Base interactions energy: -1119.571
where: short stacking energy: -494.017
Base-Backbone interact. energy: -0.865
local terms energy: -622.901114
where:
bonds (distance) C4'-P energy: -130.024
bonds (distance) P-C4' energy: -135.201
flat angles C4'-P-C4' energy: -148.028
flat angles P-C4'-P energy: -98.165
tors. eta vs tors. theta energy: -111.483
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: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1722.999019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.999019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.999019 (E_RNA)
where:
Base-Base interactions energy: -1131.083
where: short stacking energy: -536.601
Base-Backbone interact. energy: -1.864
local terms energy: -590.051745
where:
bonds (distance) C4'-P energy: -135.371
bonds (distance) P-C4' energy: -110.765
flat angles C4'-P-C4' energy: -131.983
flat angles P-C4'-P energy: -90.878
tors. eta vs tors. theta energy: -121.055
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: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1590.207023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.207023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.207023 (E_RNA)
where:
Base-Base interactions energy: -1013.905
where: short stacking energy: -482.616
Base-Backbone interact. energy: -2.662
local terms energy: -573.639820
where:
bonds (distance) C4'-P energy: -121.576
bonds (distance) P-C4' energy: -123.562
flat angles C4'-P-C4' energy: -147.776
flat angles P-C4'-P energy: -74.217
tors. eta vs tors. theta energy: -106.509
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: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1058.387299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.387299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.387299 (E_RNA)
where:
Base-Base interactions energy: -607.454
where: short stacking energy: -293.005
Base-Backbone interact. energy: 4.228
local terms energy: -455.161542
where:
bonds (distance) C4'-P energy: -122.291
bonds (distance) P-C4' energy: -138.491
flat angles C4'-P-C4' energy: -105.485
flat angles P-C4'-P energy: -66.235
tors. eta vs tors. theta energy: -22.659
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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -932.648276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.648276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.648276 (E_RNA)
where:
Base-Base interactions energy: -512.108
where: short stacking energy: -252.975
Base-Backbone interact. energy: 2.550
local terms energy: -423.089484
where:
bonds (distance) C4'-P energy: -103.812
bonds (distance) P-C4' energy: -122.978
flat angles C4'-P-C4' energy: -109.257
flat angles P-C4'-P energy: -83.132
tors. eta vs tors. theta energy: -3.910
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: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -561.574004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.574004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.574004 (E_RNA)
where:
Base-Base interactions energy: -216.662
where: short stacking energy: -158.128
Base-Backbone interact. energy: 4.541
local terms energy: -349.453089
where:
bonds (distance) C4'-P energy: -116.208
bonds (distance) P-C4' energy: -129.739
flat angles C4'-P-C4' energy: -93.085
flat angles P-C4'-P energy: -50.513
tors. eta vs tors. theta energy: 40.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2398.749015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.749015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.749015 (E_RNA)
where:
Base-Base interactions energy: -1652.230
where: short stacking energy: -713.918
Base-Backbone interact. energy: -0.688
local terms energy: -745.830761
where:
bonds (distance) C4'-P energy: -141.325
bonds (distance) P-C4' energy: -141.541
flat angles C4'-P-C4' energy: -164.091
flat angles P-C4'-P energy: -103.950
tors. eta vs tors. theta energy: -194.923
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: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2332.159132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.159132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.159132 (E_RNA)
where:
Base-Base interactions energy: -1609.971
where: short stacking energy: -689.948
Base-Backbone interact. energy: -1.909
local terms energy: -720.278770
where:
bonds (distance) C4'-P energy: -133.739
bonds (distance) P-C4' energy: -129.906
flat angles C4'-P-C4' energy: -169.055
flat angles P-C4'-P energy: -105.787
tors. eta vs tors. theta energy: -181.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2165.337028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.337028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.337028 (E_RNA)
where:
Base-Base interactions energy: -1457.520
where: short stacking energy: -663.704
Base-Backbone interact. energy: -1.504
local terms energy: -706.313098
where:
bonds (distance) C4'-P energy: -137.990
bonds (distance) P-C4' energy: -131.108
flat angles C4'-P-C4' energy: -159.213
flat angles P-C4'-P energy: -99.990
tors. eta vs tors. theta energy: -178.012
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: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1984.864243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.864243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.864243 (E_RNA)
where:
Base-Base interactions energy: -1330.544
where: short stacking energy: -570.151
Base-Backbone interact. energy: -3.836
local terms energy: -650.483811
where:
bonds (distance) C4'-P energy: -137.770
bonds (distance) P-C4' energy: -133.293
flat angles C4'-P-C4' energy: -152.553
flat angles P-C4'-P energy: -85.177
tors. eta vs tors. theta energy: -141.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1824.589840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.589840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.589840 (E_RNA)
where:
Base-Base interactions energy: -1172.501
where: short stacking energy: -574.955
Base-Backbone interact. energy: -2.428
local terms energy: -649.660439
where:
bonds (distance) C4'-P energy: -139.044
bonds (distance) P-C4' energy: -121.400
flat angles C4'-P-C4' energy: -151.669
flat angles P-C4'-P energy: -85.436
tors. eta vs tors. theta energy: -152.112
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: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1700.730885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.730885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.730885 (E_RNA)
where:
Base-Base interactions energy: -1094.481
where: short stacking energy: -486.534
Base-Backbone interact. energy: -0.859
local terms energy: -605.390606
where:
bonds (distance) C4'-P energy: -150.938
bonds (distance) P-C4' energy: -137.205
flat angles C4'-P-C4' energy: -134.693
flat angles P-C4'-P energy: -76.659
tors. eta vs tors. theta energy: -105.895
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: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1524.447643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.447643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.447643 (E_RNA)
where:
Base-Base interactions energy: -939.497
where: short stacking energy: -438.059
Base-Backbone interact. energy: 3.757
local terms energy: -588.708176
where:
bonds (distance) C4'-P energy: -134.349
bonds (distance) P-C4' energy: -144.554
flat angles C4'-P-C4' energy: -136.734
flat angles P-C4'-P energy: -70.906
tors. eta vs tors. theta energy: -102.165
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: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1060.344494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.344494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.344494 (E_RNA)
where:
Base-Base interactions energy: -596.691
where: short stacking energy: -274.869
Base-Backbone interact. energy: -2.788
local terms energy: -460.865720
where:
bonds (distance) C4'-P energy: -125.171
bonds (distance) P-C4' energy: -120.337
flat angles C4'-P-C4' energy: -119.324
flat angles P-C4'-P energy: -69.589
tors. eta vs tors. theta energy: -26.445
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: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -970.459697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.459697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.459697 (E_RNA)
where:
Base-Base interactions energy: -546.926
where: short stacking energy: -293.016
Base-Backbone interact. energy: -0.888
local terms energy: -422.645491
where:
bonds (distance) C4'-P energy: -112.109
bonds (distance) P-C4' energy: -104.940
flat angles C4'-P-C4' energy: -106.856
flat angles P-C4'-P energy: -71.806
tors. eta vs tors. theta energy: -26.935
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: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -559.807334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.807334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.807334 (E_RNA)
where:
Base-Base interactions energy: -215.617
where: short stacking energy: -192.087
Base-Backbone interact. energy: 0.616
local terms energy: -344.806935
where:
bonds (distance) C4'-P energy: -112.914
bonds (distance) P-C4' energy: -103.748
flat angles C4'-P-C4' energy: -98.955
flat angles P-C4'-P energy: -43.176
tors. eta vs tors. theta energy: 13.986
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: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2471.102345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.102345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.102345 (E_RNA)
where:
Base-Base interactions energy: -1698.941
where: short stacking energy: -713.695
Base-Backbone interact. energy: -2.322
local terms energy: -769.839009
where:
bonds (distance) C4'-P energy: -143.620
bonds (distance) P-C4' energy: -153.330
flat angles C4'-P-C4' energy: -165.030
flat angles P-C4'-P energy: -105.323
tors. eta vs tors. theta energy: -202.536
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: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2350.776077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.776077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.776077 (E_RNA)
where:
Base-Base interactions energy: -1615.729
where: short stacking energy: -668.774
Base-Backbone interact. energy: -2.096
local terms energy: -732.950998
where:
bonds (distance) C4'-P energy: -150.803
bonds (distance) P-C4' energy: -145.992
flat angles C4'-P-C4' energy: -156.319
flat angles P-C4'-P energy: -87.108
tors. eta vs tors. theta energy: -192.729
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: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2208.741050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.741050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.741050 (E_RNA)
where:
Base-Base interactions energy: -1450.597
where: short stacking energy: -657.950
Base-Backbone interact. energy: -0.362
local terms energy: -757.781907
where:
bonds (distance) C4'-P energy: -138.527
bonds (distance) P-C4' energy: -157.682
flat angles C4'-P-C4' energy: -172.269
flat angles P-C4'-P energy: -100.675
tors. eta vs tors. theta energy: -188.629
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: 69
Temperature: 1.050000
Total energy: -2005.926642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.926642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.926642 (E_RNA)
where:
Base-Base interactions energy: -1352.800
where: short stacking energy: -565.503
Base-Backbone interact. energy: -2.356
local terms energy: -650.770777
where:
bonds (distance) C4'-P energy: -127.290
bonds (distance) P-C4' energy: -148.902
flat angles C4'-P-C4' energy: -138.419
flat angles P-C4'-P energy: -87.560
tors. eta vs tors. theta energy: -148.599
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: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1838.819054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.819054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.819054 (E_RNA)
where:
Base-Base interactions energy: -1167.413
where: short stacking energy: -551.542
Base-Backbone interact. energy: -2.573
local terms energy: -668.833217
where:
bonds (distance) C4'-P energy: -127.602
bonds (distance) P-C4' energy: -143.828
flat angles C4'-P-C4' energy: -145.880
flat angles P-C4'-P energy: -99.014
tors. eta vs tors. theta energy: -152.510
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: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1632.828422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.828422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.828422 (E_RNA)
where:
Base-Base interactions energy: -1064.291
where: short stacking energy: -481.364
Base-Backbone interact. energy: -3.415
local terms energy: -565.122430
where:
bonds (distance) C4'-P energy: -113.043
bonds (distance) P-C4' energy: -121.765
flat angles C4'-P-C4' energy: -140.853
flat angles P-C4'-P energy: -87.008
tors. eta vs tors. theta energy: -102.453
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: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1587.864865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.864865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.864865 (E_RNA)
where:
Base-Base interactions energy: -1026.455
where: short stacking energy: -471.264
Base-Backbone interact. energy: -2.594
local terms energy: -558.816255
where:
bonds (distance) C4'-P energy: -115.382
bonds (distance) P-C4' energy: -123.215
flat angles C4'-P-C4' energy: -109.938
flat angles P-C4'-P energy: -95.749
tors. eta vs tors. theta energy: -114.532
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: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1110.321854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.321854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.321854 (E_RNA)
where:
Base-Base interactions energy: -645.915
where: short stacking energy: -331.264
Base-Backbone interact. energy: -0.514
local terms energy: -463.892743
where:
bonds (distance) C4'-P energy: -113.304
bonds (distance) P-C4' energy: -117.545
flat angles C4'-P-C4' energy: -108.686
flat angles P-C4'-P energy: -75.857
tors. eta vs tors. theta energy: -48.500
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: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -957.580922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.580922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.580922 (E_RNA)
where:
Base-Base interactions energy: -558.926
where: short stacking energy: -290.635
Base-Backbone interact. energy: 5.230
local terms energy: -403.884825
where:
bonds (distance) C4'-P energy: -94.209
bonds (distance) P-C4' energy: -122.826
flat angles C4'-P-C4' energy: -126.171
flat angles P-C4'-P energy: -49.711
tors. eta vs tors. theta energy: -10.968
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: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -571.356061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.356061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.356061 (E_RNA)
where:
Base-Base interactions energy: -213.116
where: short stacking energy: -152.031
Base-Backbone interact. energy: 3.669
local terms energy: -361.908614
where:
bonds (distance) C4'-P energy: -120.097
bonds (distance) P-C4' energy: -129.433
flat angles C4'-P-C4' energy: -82.322
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: 21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2431.374293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.374293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.374293 (E_RNA)
where:
Base-Base interactions energy: -1683.840
where: short stacking energy: -698.997
Base-Backbone interact. energy: 0.693
local terms energy: -748.226654
where:
bonds (distance) C4'-P energy: -144.004
bonds (distance) P-C4' energy: -153.188
flat angles C4'-P-C4' energy: -169.889
flat angles P-C4'-P energy: -79.491
tors. eta vs tors. theta energy: -201.655
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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2327.974969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.974969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.974969 (E_RNA)
where:
Base-Base interactions energy: -1607.794
where: short stacking energy: -684.508
Base-Backbone interact. energy: -2.845
local terms energy: -717.335339
where:
bonds (distance) C4'-P energy: -148.695
bonds (distance) P-C4' energy: -140.010
flat angles C4'-P-C4' energy: -159.799
flat angles P-C4'-P energy: -88.440
tors. eta vs tors. theta energy: -180.391
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: 70
Temperature: 1.000000
Total energy: -2140.874004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.874004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.874004 (E_RNA)
where:
Base-Base interactions energy: -1430.962
where: short stacking energy: -653.213
Base-Backbone interact. energy: 0.030
local terms energy: -709.942190
where:
bonds (distance) C4'-P energy: -115.120
bonds (distance) P-C4' energy: -137.420
flat angles C4'-P-C4' energy: -169.050
flat angles P-C4'-P energy: -102.777
tors. eta vs tors. theta energy: -185.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2041.967882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.967882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.967882 (E_RNA)
where:
Base-Base interactions energy: -1362.781
where: short stacking energy: -585.716
Base-Backbone interact. energy: -1.595
local terms energy: -677.592051
where:
bonds (distance) C4'-P energy: -126.820
bonds (distance) P-C4' energy: -154.184
flat angles C4'-P-C4' energy: -156.088
flat angles P-C4'-P energy: -87.164
tors. eta vs tors. theta energy: -153.336
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: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1853.914198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.914198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.914198 (E_RNA)
where:
Base-Base interactions energy: -1215.670
where: short stacking energy: -594.959
Base-Backbone interact. energy: -1.539
local terms energy: -636.705960
where:
bonds (distance) C4'-P energy: -124.412
bonds (distance) P-C4' energy: -133.893
flat angles C4'-P-C4' energy: -140.818
flat angles P-C4'-P energy: -86.400
tors. eta vs tors. theta energy: -151.183
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: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1605.882652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.882652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.882652 (E_RNA)
where:
Base-Base interactions energy: -1038.639
where: short stacking energy: -469.154
Base-Backbone interact. energy: -5.274
local terms energy: -561.969909
where:
bonds (distance) C4'-P energy: -117.380
bonds (distance) P-C4' energy: -131.590
flat angles C4'-P-C4' energy: -109.628
flat angles P-C4'-P energy: -94.316
tors. eta vs tors. theta energy: -109.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1605.119453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.119453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.119453 (E_RNA)
where:
Base-Base interactions energy: -1028.750
where: short stacking energy: -459.471
Base-Backbone interact. energy: -2.795
local terms energy: -573.574429
where:
bonds (distance) C4'-P energy: -125.846
bonds (distance) P-C4' energy: -126.116
flat angles C4'-P-C4' energy: -132.778
flat angles P-C4'-P energy: -88.658
tors. eta vs tors. theta energy: -100.176
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: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1019.631871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.631871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.631871 (E_RNA)
where:
Base-Base interactions energy: -544.822
where: short stacking energy: -292.780
Base-Backbone interact. energy: 6.481
local terms energy: -481.290560
where:
bonds (distance) C4'-P energy: -119.224
bonds (distance) P-C4' energy: -143.482
flat angles C4'-P-C4' energy: -122.010
flat angles P-C4'-P energy: -77.544
tors. eta vs tors. theta energy: -19.030
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: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -979.682314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.682314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.682314 (E_RNA)
where:
Base-Base interactions energy: -542.240
where: short stacking energy: -272.616
Base-Backbone interact. energy: 3.226
local terms energy: -440.668421
where:
bonds (distance) C4'-P energy: -128.892
bonds (distance) P-C4' energy: -102.601
flat angles C4'-P-C4' energy: -92.917
flat angles P-C4'-P energy: -74.111
tors. eta vs tors. theta energy: -42.147
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: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -628.868462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.868462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.868462 (E_RNA)
where:
Base-Base interactions energy: -259.403
where: short stacking energy: -166.998
Base-Backbone interact. energy: 2.219
local terms energy: -371.683860
where:
bonds (distance) C4'-P energy: -111.398
bonds (distance) P-C4' energy: -128.376
flat angles C4'-P-C4' energy: -93.778
flat angles P-C4'-P energy: -53.578
tors. eta vs tors. theta energy: 15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2428.308781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.308781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.308781 (E_RNA)
where:
Base-Base interactions energy: -1673.859
where: short stacking energy: -694.870
Base-Backbone interact. energy: 2.235
local terms energy: -756.685316
where:
bonds (distance) C4'-P energy: -143.804
bonds (distance) P-C4' energy: -148.305
flat angles C4'-P-C4' energy: -161.623
flat angles P-C4'-P energy: -106.808
tors. eta vs tors. theta energy: -196.145
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: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2309.775572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.775572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.775572 (E_RNA)
where:
Base-Base interactions energy: -1577.968
where: short stacking energy: -630.058
Base-Backbone interact. energy: 0.885
local terms energy: -732.693436
where:
bonds (distance) C4'-P energy: -142.198
bonds (distance) P-C4' energy: -159.029
flat angles C4'-P-C4' energy: -169.045
flat angles P-C4'-P energy: -89.222
tors. eta vs tors. theta energy: -173.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2211.766325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.766325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.766325 (E_RNA)
where:
Base-Base interactions energy: -1485.092
where: short stacking energy: -678.608
Base-Backbone interact. energy: -1.909
local terms energy: -724.764722
where:
bonds (distance) C4'-P energy: -128.866
bonds (distance) P-C4' energy: -134.926
flat angles C4'-P-C4' energy: -153.652
flat angles P-C4'-P energy: -111.424
tors. eta vs tors. theta energy: -195.897
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: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2121.486577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.486577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.486577 (E_RNA)
where:
Base-Base interactions energy: -1440.244
where: short stacking energy: -590.056
Base-Backbone interact. energy: -4.484
local terms energy: -676.758511
where:
bonds (distance) C4'-P energy: -124.288
bonds (distance) P-C4' energy: -140.863
flat angles C4'-P-C4' energy: -143.738
flat angles P-C4'-P energy: -101.773
tors. eta vs tors. theta energy: -166.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1887.695537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.695537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.695537 (E_RNA)
where:
Base-Base interactions energy: -1230.747
where: short stacking energy: -587.889
Base-Backbone interact. energy: -3.608
local terms energy: -653.340116
where:
bonds (distance) C4'-P energy: -114.444
bonds (distance) P-C4' energy: -129.075
flat angles C4'-P-C4' energy: -152.572
flat angles P-C4'-P energy: -92.856
tors. eta vs tors. theta energy: -164.394
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: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1675.980504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.980504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.980504 (E_RNA)
where:
Base-Base interactions energy: -1107.188
where: short stacking energy: -486.901
Base-Backbone interact. energy: -0.307
local terms energy: -568.485515
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -134.113
flat angles C4'-P-C4' energy: -144.027
flat angles P-C4'-P energy: -87.559
tors. eta vs tors. theta energy: -95.194
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: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1486.870201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.870201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.870201 (E_RNA)
where:
Base-Base interactions energy: -935.977
where: short stacking energy: -424.107
Base-Backbone interact. energy: -4.207
local terms energy: -546.685748
where:
bonds (distance) C4'-P energy: -110.527
bonds (distance) P-C4' energy: -142.560
flat angles C4'-P-C4' energy: -129.067
flat angles P-C4'-P energy: -86.278
tors. eta vs tors. theta energy: -78.253
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: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1063.745175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.745175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.745175 (E_RNA)
where:
Base-Base interactions energy: -593.520
where: short stacking energy: -299.130
Base-Backbone interact. energy: 0.779
local terms energy: -471.003332
where:
bonds (distance) C4'-P energy: -127.609
bonds (distance) P-C4' energy: -121.885
flat angles C4'-P-C4' energy: -118.058
flat angles P-C4'-P energy: -76.995
tors. eta vs tors. theta energy: -26.456
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: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1000.951131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.951131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.951131 (E_RNA)
where:
Base-Base interactions energy: -575.351
where: short stacking energy: -308.601
Base-Backbone interact. energy: -1.015
local terms energy: -424.585025
where:
bonds (distance) C4'-P energy: -92.698
bonds (distance) P-C4' energy: -125.712
flat angles C4'-P-C4' energy: -115.386
flat angles P-C4'-P energy: -62.410
tors. eta vs tors. theta energy: -28.380
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: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -618.550506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.550506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.550506 (E_RNA)
where:
Base-Base interactions energy: -250.187
where: short stacking energy: -171.706
Base-Backbone interact. energy: 0.284
local terms energy: -368.647086
where:
bonds (distance) C4'-P energy: -106.283
bonds (distance) P-C4' energy: -131.520
flat angles C4'-P-C4' energy: -95.395
flat angles P-C4'-P energy: -53.238
tors. eta vs tors. theta energy: 17.789
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: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2394.775424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.775424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.775424 (E_RNA)
where:
Base-Base interactions energy: -1636.312
where: short stacking energy: -685.507
Base-Backbone interact. energy: -0.091
local terms energy: -758.372374
where:
bonds (distance) C4'-P energy: -150.373
bonds (distance) P-C4' energy: -141.574
flat angles C4'-P-C4' energy: -163.492
flat angles P-C4'-P energy: -108.739
tors. eta vs tors. theta energy: -194.194
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: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2317.337590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.337590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.337590 (E_RNA)
where:
Base-Base interactions energy: -1627.835
where: short stacking energy: -696.694
Base-Backbone interact. energy: -2.395
local terms energy: -687.107925
where:
bonds (distance) C4'-P energy: -129.082
bonds (distance) P-C4' energy: -136.831
flat angles C4'-P-C4' energy: -143.905
flat angles P-C4'-P energy: -93.425
tors. eta vs tors. theta energy: -183.865
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: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2180.707011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.707011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.707011 (E_RNA)
where:
Base-Base interactions energy: -1470.938
where: short stacking energy: -642.345
Base-Backbone interact. energy: -3.211
local terms energy: -706.557461
where:
bonds (distance) C4'-P energy: -121.228
bonds (distance) P-C4' energy: -131.981
flat angles C4'-P-C4' energy: -156.253
flat angles P-C4'-P energy: -113.977
tors. eta vs tors. theta energy: -183.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2145.191675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.191675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.191675 (E_RNA)
where:
Base-Base interactions energy: -1463.767
where: short stacking energy: -623.096
Base-Backbone interact. energy: -2.554
local terms energy: -678.870939
where:
bonds (distance) C4'-P energy: -128.313
bonds (distance) P-C4' energy: -138.737
flat angles C4'-P-C4' energy: -142.745
flat angles P-C4'-P energy: -87.542
tors. eta vs tors. theta energy: -181.535
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: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1895.031923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.031923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.031923 (E_RNA)
where:
Base-Base interactions energy: -1246.503
where: short stacking energy: -592.262
Base-Backbone interact. energy: -1.904
local terms energy: -646.625345
where:
bonds (distance) C4'-P energy: -125.025
bonds (distance) P-C4' energy: -131.494
flat angles C4'-P-C4' energy: -140.744
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -160.240
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: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1683.827895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.827895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.827895 (E_RNA)
where:
Base-Base interactions energy: -1086.932
where: short stacking energy: -489.972
Base-Backbone interact. energy: -4.214
local terms energy: -592.681706
where:
bonds (distance) C4'-P energy: -121.669
bonds (distance) P-C4' energy: -124.875
flat angles C4'-P-C4' energy: -134.662
flat angles P-C4'-P energy: -91.251
tors. eta vs tors. theta energy: -120.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1360.488827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.488827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.488827 (E_RNA)
where:
Base-Base interactions energy: -860.245
where: short stacking energy: -397.532
Base-Backbone interact. energy: -0.861
local terms energy: -499.382321
where:
bonds (distance) C4'-P energy: -128.586
bonds (distance) P-C4' energy: -114.926
flat angles C4'-P-C4' energy: -105.525
flat angles P-C4'-P energy: -78.716
tors. eta vs tors. theta energy: -71.630
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1011.516428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.516428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.516428 (E_RNA)
where:
Base-Base interactions energy: -535.780
where: short stacking energy: -263.338
Base-Backbone interact. energy: -0.600
local terms energy: -475.135746
where:
bonds (distance) C4'-P energy: -116.005
bonds (distance) P-C4' energy: -136.218
flat angles C4'-P-C4' energy: -122.174
flat angles P-C4'-P energy: -66.053
tors. eta vs tors. theta energy: -34.686
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: 72
Temperature: 1.300000
Total energy: -1029.591493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.591493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.591493 (E_RNA)
where:
Base-Base interactions energy: -559.799
where: short stacking energy: -295.708
Base-Backbone interact. energy: -0.079
local terms energy: -469.713786
where:
bonds (distance) C4'-P energy: -123.743
bonds (distance) P-C4' energy: -130.211
flat angles C4'-P-C4' energy: -110.754
flat angles P-C4'-P energy: -65.768
tors. eta vs tors. theta energy: -39.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -616.706245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.706245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.706245 (E_RNA)
where:
Base-Base interactions energy: -292.115
where: short stacking energy: -183.024
Base-Backbone interact. energy: -0.758
local terms energy: -323.833664
where:
bonds (distance) C4'-P energy: -91.460
bonds (distance) P-C4' energy: -114.957
flat angles C4'-P-C4' energy: -71.256
flat angles P-C4'-P energy: -65.358
tors. eta vs tors. theta energy: 19.197
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: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2422.805788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.805788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.805788 (E_RNA)
where:
Base-Base interactions energy: -1684.364
where: short stacking energy: -703.567
Base-Backbone interact. energy: -0.701
local terms energy: -737.740672
where:
bonds (distance) C4'-P energy: -147.186
bonds (distance) P-C4' energy: -139.798
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -106.495
tors. eta vs tors. theta energy: -185.334
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: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2279.911254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.911254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.911254 (E_RNA)
where:
Base-Base interactions energy: -1561.693
where: short stacking energy: -639.040
Base-Backbone interact. energy: -3.227
local terms energy: -714.991837
where:
bonds (distance) C4'-P energy: -135.461
bonds (distance) P-C4' energy: -145.536
flat angles C4'-P-C4' energy: -152.808
flat angles P-C4'-P energy: -96.232
tors. eta vs tors. theta energy: -184.954
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: 73
Temperature: 1.000000
Total energy: -2192.149361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.149361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.149361 (E_RNA)
where:
Base-Base interactions energy: -1488.210
where: short stacking energy: -683.012
Base-Backbone interact. energy: -4.302
local terms energy: -699.636751
where:
bonds (distance) C4'-P energy: -145.040
bonds (distance) P-C4' energy: -118.160
flat angles C4'-P-C4' energy: -151.708
flat angles P-C4'-P energy: -101.633
tors. eta vs tors. theta energy: -183.097
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: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2166.792639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.792639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.792639 (E_RNA)
where:
Base-Base interactions energy: -1475.315
where: short stacking energy: -635.326
Base-Backbone interact. energy: 0.530
local terms energy: -692.007738
where:
bonds (distance) C4'-P energy: -141.419
bonds (distance) P-C4' energy: -127.508
flat angles C4'-P-C4' energy: -156.968
flat angles P-C4'-P energy: -89.926
tors. eta vs tors. theta energy: -176.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1935.991181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.991181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.991181 (E_RNA)
where:
Base-Base interactions energy: -1248.768
where: short stacking energy: -612.134
Base-Backbone interact. energy: -0.725
local terms energy: -686.498733
where:
bonds (distance) C4'-P energy: -136.198
bonds (distance) P-C4' energy: -146.550
flat angles C4'-P-C4' energy: -147.708
flat angles P-C4'-P energy: -104.673
tors. eta vs tors. theta energy: -151.370
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: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1739.234782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.234782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.234782 (E_RNA)
where:
Base-Base interactions energy: -1128.842
where: short stacking energy: -522.737
Base-Backbone interact. energy: -0.575
local terms energy: -609.818381
where:
bonds (distance) C4'-P energy: -129.361
bonds (distance) P-C4' energy: -131.028
flat angles C4'-P-C4' energy: -144.479
flat angles P-C4'-P energy: -79.597
tors. eta vs tors. theta energy: -125.354
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: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1323.599752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.599752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.599752 (E_RNA)
where:
Base-Base interactions energy: -782.851
where: short stacking energy: -377.874
Base-Backbone interact. energy: 1.776
local terms energy: -542.524612
where:
bonds (distance) C4'-P energy: -128.364
bonds (distance) P-C4' energy: -137.669
flat angles C4'-P-C4' energy: -113.196
flat angles P-C4'-P energy: -81.341
tors. eta vs tors. theta energy: -81.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1050.932437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.932437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.932437 (E_RNA)
where:
Base-Base interactions energy: -571.235
where: short stacking energy: -294.977
Base-Backbone interact. energy: -3.248
local terms energy: -476.449716
where:
bonds (distance) C4'-P energy: -117.295
bonds (distance) P-C4' energy: -122.037
flat angles C4'-P-C4' energy: -119.430
flat angles P-C4'-P energy: -72.396
tors. eta vs tors. theta energy: -45.291
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: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1062.212699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.212699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.212699 (E_RNA)
where:
Base-Base interactions energy: -616.253
where: short stacking energy: -293.233
Base-Backbone interact. energy: 1.000
local terms energy: -446.960113
where:
bonds (distance) C4'-P energy: -132.109
bonds (distance) P-C4' energy: -122.931
flat angles C4'-P-C4' energy: -112.171
flat angles P-C4'-P energy: -62.442
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -604.769327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.769327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.769327 (E_RNA)
where:
Base-Base interactions energy: -237.937
where: short stacking energy: -172.946
Base-Backbone interact. energy: -2.194
local terms energy: -364.638783
where:
bonds (distance) C4'-P energy: -117.431
bonds (distance) P-C4' energy: -114.895
flat angles C4'-P-C4' energy: -95.978
flat angles P-C4'-P energy: -51.691
tors. eta vs tors. theta energy: 15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2457.931523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.931523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.931523 (E_RNA)
where:
Base-Base interactions energy: -1699.079
where: short stacking energy: -703.976
Base-Backbone interact. energy: -4.732
local terms energy: -754.120795
where:
bonds (distance) C4'-P energy: -146.556
bonds (distance) P-C4' energy: -149.649
flat angles C4'-P-C4' energy: -151.109
flat angles P-C4'-P energy: -111.698
tors. eta vs tors. theta energy: -195.109
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: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2296.016335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.016335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.016335 (E_RNA)
where:
Base-Base interactions energy: -1588.514
where: short stacking energy: -685.346
Base-Backbone interact. energy: -2.317
local terms energy: -705.185313
where:
bonds (distance) C4'-P energy: -143.414
bonds (distance) P-C4' energy: -132.085
flat angles C4'-P-C4' energy: -165.677
flat angles P-C4'-P energy: -94.939
tors. eta vs tors. theta energy: -169.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2174.893995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.893995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.893995 (E_RNA)
where:
Base-Base interactions energy: -1457.705
where: short stacking energy: -665.405
Base-Backbone interact. energy: -0.145
local terms energy: -717.043220
where:
bonds (distance) C4'-P energy: -125.400
bonds (distance) P-C4' energy: -153.462
flat angles C4'-P-C4' energy: -154.752
flat angles P-C4'-P energy: -98.822
tors. eta vs tors. theta energy: -184.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2175.533930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.533930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.533930 (E_RNA)
where:
Base-Base interactions energy: -1480.197
where: short stacking energy: -636.671
Base-Backbone interact. energy: -3.069
local terms energy: -692.267335
where:
bonds (distance) C4'-P energy: -131.769
bonds (distance) P-C4' energy: -140.362
flat angles C4'-P-C4' energy: -145.910
flat angles P-C4'-P energy: -97.388
tors. eta vs tors. theta energy: -176.839
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: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1914.405892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.405892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.405892 (E_RNA)
where:
Base-Base interactions energy: -1268.419
where: short stacking energy: -594.023
Base-Backbone interact. energy: -0.189
local terms energy: -645.797209
where:
bonds (distance) C4'-P energy: -106.536
bonds (distance) P-C4' energy: -145.726
flat angles C4'-P-C4' energy: -150.159
flat angles P-C4'-P energy: -93.184
tors. eta vs tors. theta energy: -150.192
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: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1750.716368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.716368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.716368 (E_RNA)
where:
Base-Base interactions energy: -1132.717
where: short stacking energy: -545.396
Base-Backbone interact. energy: -3.117
local terms energy: -614.882365
where:
bonds (distance) C4'-P energy: -121.586
bonds (distance) P-C4' energy: -131.437
flat angles C4'-P-C4' energy: -132.985
flat angles P-C4'-P energy: -88.490
tors. eta vs tors. theta energy: -140.384
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: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1360.540329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.540329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.540329 (E_RNA)
where:
Base-Base interactions energy: -788.094
where: short stacking energy: -392.016
Base-Backbone interact. energy: -0.420
local terms energy: -572.026541
where:
bonds (distance) C4'-P energy: -126.306
bonds (distance) P-C4' energy: -148.395
flat angles C4'-P-C4' energy: -124.892
flat angles P-C4'-P energy: -85.066
tors. eta vs tors. theta energy: -87.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1233.496088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.496088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.496088 (E_RNA)
where:
Base-Base interactions energy: -767.176
where: short stacking energy: -343.697
Base-Backbone interact. energy: 2.273
local terms energy: -468.592255
where:
bonds (distance) C4'-P energy: -130.828
bonds (distance) P-C4' energy: -115.578
flat angles C4'-P-C4' energy: -104.094
flat angles P-C4'-P energy: -72.135
tors. eta vs tors. theta energy: -45.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1084.272399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.272399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.272399 (E_RNA)
where:
Base-Base interactions energy: -637.361
where: short stacking energy: -288.906
Base-Backbone interact. energy: 1.270
local terms energy: -448.181071
where:
bonds (distance) C4'-P energy: -111.951
bonds (distance) P-C4' energy: -117.926
flat angles C4'-P-C4' energy: -121.371
flat angles P-C4'-P energy: -61.720
tors. eta vs tors. theta energy: -35.214
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: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -609.791972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.791972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.791972 (E_RNA)
where:
Base-Base interactions energy: -274.258
where: short stacking energy: -174.151
Base-Backbone interact. energy: 1.330
local terms energy: -336.863363
where:
bonds (distance) C4'-P energy: -112.850
bonds (distance) P-C4' energy: -110.786
flat angles C4'-P-C4' energy: -105.676
flat angles P-C4'-P energy: -52.528
tors. eta vs tors. theta energy: 44.977
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: 75
Temperature: 0.900000
Total energy: -2429.284483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.284483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.284483 (E_RNA)
where:
Base-Base interactions energy: -1685.303
where: short stacking energy: -669.855
Base-Backbone interact. energy: -4.895
local terms energy: -739.086072
where:
bonds (distance) C4'-P energy: -142.223
bonds (distance) P-C4' energy: -143.067
flat angles C4'-P-C4' energy: -159.828
flat angles P-C4'-P energy: -91.305
tors. eta vs tors. theta energy: -202.663
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: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2325.270464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.270464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.270464 (E_RNA)
where:
Base-Base interactions energy: -1589.512
where: short stacking energy: -692.189
Base-Backbone interact. energy: -4.829
local terms energy: -730.928672
where:
bonds (distance) C4'-P energy: -139.451
bonds (distance) P-C4' energy: -147.763
flat angles C4'-P-C4' energy: -157.317
flat angles P-C4'-P energy: -104.929
tors. eta vs tors. theta energy: -181.469
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: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2192.991816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.991816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.991816 (E_RNA)
where:
Base-Base interactions energy: -1471.112
where: short stacking energy: -649.918
Base-Backbone interact. energy: -2.766
local terms energy: -719.114442
where:
bonds (distance) C4'-P energy: -146.406
bonds (distance) P-C4' energy: -140.879
flat angles C4'-P-C4' energy: -158.545
flat angles P-C4'-P energy: -105.803
tors. eta vs tors. theta energy: -167.481
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: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2216.114353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.114353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.114353 (E_RNA)
where:
Base-Base interactions energy: -1515.921
where: short stacking energy: -656.254
Base-Backbone interact. energy: -3.100
local terms energy: -697.093245
where:
bonds (distance) C4'-P energy: -133.764
bonds (distance) P-C4' energy: -144.870
flat angles C4'-P-C4' energy: -150.666
flat angles P-C4'-P energy: -75.044
tors. eta vs tors. theta energy: -192.749
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: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1925.532737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.532737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.532737 (E_RNA)
where:
Base-Base interactions energy: -1245.369
where: short stacking energy: -600.142
Base-Backbone interact. energy: -1.879
local terms energy: -678.284967
where:
bonds (distance) C4'-P energy: -133.526
bonds (distance) P-C4' energy: -153.819
flat angles C4'-P-C4' energy: -159.793
flat angles P-C4'-P energy: -90.720
tors. eta vs tors. theta energy: -140.428
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: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1825.838129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.838129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.838129 (E_RNA)
where:
Base-Base interactions energy: -1198.459
where: short stacking energy: -541.465
Base-Backbone interact. energy: -0.909
local terms energy: -626.470986
where:
bonds (distance) C4'-P energy: -120.264
bonds (distance) P-C4' energy: -122.565
flat angles C4'-P-C4' energy: -149.898
flat angles P-C4'-P energy: -87.264
tors. eta vs tors. theta energy: -146.480
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: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1332.083103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.083103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.083103 (E_RNA)
where:
Base-Base interactions energy: -812.236
where: short stacking energy: -394.813
Base-Backbone interact. energy: -1.974
local terms energy: -517.872526
where:
bonds (distance) C4'-P energy: -109.728
bonds (distance) P-C4' energy: -125.148
flat angles C4'-P-C4' energy: -111.501
flat angles P-C4'-P energy: -93.404
tors. eta vs tors. theta energy: -78.092
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: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1228.081823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.081823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.081823 (E_RNA)
where:
Base-Base interactions energy: -766.553
where: short stacking energy: -360.948
Base-Backbone interact. energy: 0.353
local terms energy: -461.881830
where:
bonds (distance) C4'-P energy: -116.240
bonds (distance) P-C4' energy: -131.130
flat angles C4'-P-C4' energy: -112.168
flat angles P-C4'-P energy: -53.043
tors. eta vs tors. theta energy: -49.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1148.675511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.675511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.675511 (E_RNA)
where:
Base-Base interactions energy: -685.093
where: short stacking energy: -349.174
Base-Backbone interact. energy: -0.606
local terms energy: -462.975726
where:
bonds (distance) C4'-P energy: -112.798
bonds (distance) P-C4' energy: -122.400
flat angles C4'-P-C4' energy: -115.116
flat angles P-C4'-P energy: -70.103
tors. eta vs tors. theta energy: -42.558
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: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -561.135688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.135688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.135688 (E_RNA)
where:
Base-Base interactions energy: -204.559
where: short stacking energy: -160.700
Base-Backbone interact. energy: -3.392
local terms energy: -353.184761
where:
bonds (distance) C4'-P energy: -114.609
bonds (distance) P-C4' energy: -113.377
flat angles C4'-P-C4' energy: -99.058
flat angles P-C4'-P energy: -54.101
tors. eta vs tors. theta energy: 27.961
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: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2462.152378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.152378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.152378 (E_RNA)
where:
Base-Base interactions energy: -1684.932
where: short stacking energy: -715.457
Base-Backbone interact. energy: -3.741
local terms energy: -773.479483
where:
bonds (distance) C4'-P energy: -149.124
bonds (distance) P-C4' energy: -137.525
flat angles C4'-P-C4' energy: -176.829
flat angles P-C4'-P energy: -99.257
tors. eta vs tors. theta energy: -210.744
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: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2327.152967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.152967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.152967 (E_RNA)
where:
Base-Base interactions energy: -1584.606
where: short stacking energy: -681.993
Base-Backbone interact. energy: -0.175
local terms energy: -742.371986
where:
bonds (distance) C4'-P energy: -128.899
bonds (distance) P-C4' energy: -146.931
flat angles C4'-P-C4' energy: -160.959
flat angles P-C4'-P energy: -117.687
tors. eta vs tors. theta energy: -187.895
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: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2253.321231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.321231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.321231 (E_RNA)
where:
Base-Base interactions energy: -1531.256
where: short stacking energy: -652.937
Base-Backbone interact. energy: 0.301
local terms energy: -722.366368
where:
bonds (distance) C4'-P energy: -140.776
bonds (distance) P-C4' energy: -141.101
flat angles C4'-P-C4' energy: -146.592
flat angles P-C4'-P energy: -103.052
tors. eta vs tors. theta energy: -190.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2125.685724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.685724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.685724 (E_RNA)
where:
Base-Base interactions energy: -1414.036
where: short stacking energy: -625.796
Base-Backbone interact. energy: -2.859
local terms energy: -708.790398
where:
bonds (distance) C4'-P energy: -153.950
bonds (distance) P-C4' energy: -125.999
flat angles C4'-P-C4' energy: -154.084
flat angles P-C4'-P energy: -105.339
tors. eta vs tors. theta energy: -169.419
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: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1944.681065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.681065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.681065 (E_RNA)
where:
Base-Base interactions energy: -1277.515
where: short stacking energy: -586.895
Base-Backbone interact. energy: -0.938
local terms energy: -666.228067
where:
bonds (distance) C4'-P energy: -128.343
bonds (distance) P-C4' energy: -134.289
flat angles C4'-P-C4' energy: -147.288
flat angles P-C4'-P energy: -103.110
tors. eta vs tors. theta energy: -153.197
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: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1869.690362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.690362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.690362 (E_RNA)
where:
Base-Base interactions energy: -1242.891
where: short stacking energy: -528.448
Base-Backbone interact. energy: 0.718
local terms energy: -627.517394
where:
bonds (distance) C4'-P energy: -121.268
bonds (distance) P-C4' energy: -141.279
flat angles C4'-P-C4' energy: -137.321
flat angles P-C4'-P energy: -98.488
tors. eta vs tors. theta energy: -129.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1395.784523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.784523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.784523 (E_RNA)
where:
Base-Base interactions energy: -863.795
where: short stacking energy: -368.628
Base-Backbone interact. energy: 0.048
local terms energy: -532.038413
where:
bonds (distance) C4'-P energy: -127.552
bonds (distance) P-C4' energy: -124.649
flat angles C4'-P-C4' energy: -118.047
flat angles P-C4'-P energy: -88.755
tors. eta vs tors. theta energy: -73.035
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: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1239.285983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.285983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.285983 (E_RNA)
where:
Base-Base interactions energy: -771.499
where: short stacking energy: -334.741
Base-Backbone interact. energy: -1.000
local terms energy: -466.787673
where:
bonds (distance) C4'-P energy: -101.462
bonds (distance) P-C4' energy: -126.212
flat angles C4'-P-C4' energy: -121.465
flat angles P-C4'-P energy: -69.577
tors. eta vs tors. theta energy: -48.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1058.082159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.082159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.082159 (E_RNA)
where:
Base-Base interactions energy: -587.013
where: short stacking energy: -277.896
Base-Backbone interact. energy: -2.145
local terms energy: -468.924130
where:
bonds (distance) C4'-P energy: -124.871
bonds (distance) P-C4' energy: -121.551
flat angles C4'-P-C4' energy: -91.040
flat angles P-C4'-P energy: -100.080
tors. eta vs tors. theta energy: -31.382
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: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -575.419708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.419708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.419708 (E_RNA)
where:
Base-Base interactions energy: -235.802
where: short stacking energy: -178.918
Base-Backbone interact. energy: 0.937
local terms energy: -340.554815
where:
bonds (distance) C4'-P energy: -111.184
bonds (distance) P-C4' energy: -107.355
flat angles C4'-P-C4' energy: -105.058
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: 30.198
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: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2442.770429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.770429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.770429 (E_RNA)
where:
Base-Base interactions energy: -1681.506
where: short stacking energy: -727.771
Base-Backbone interact. energy: -1.252
local terms energy: -760.012311
where:
bonds (distance) C4'-P energy: -146.966
bonds (distance) P-C4' energy: -154.565
flat angles C4'-P-C4' energy: -159.751
flat angles P-C4'-P energy: -102.850
tors. eta vs tors. theta energy: -195.879
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: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2376.449076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.449076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.449076 (E_RNA)
where:
Base-Base interactions energy: -1641.465
where: short stacking energy: -704.568
Base-Backbone interact. energy: -4.855
local terms energy: -730.128712
where:
bonds (distance) C4'-P energy: -135.149
bonds (distance) P-C4' energy: -136.054
flat angles C4'-P-C4' energy: -167.055
flat angles P-C4'-P energy: -106.308
tors. eta vs tors. theta energy: -185.564
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: 77
Temperature: 1.000000
Total energy: -2248.882901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.882901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.882901 (E_RNA)
where:
Base-Base interactions energy: -1531.620
where: short stacking energy: -616.421
Base-Backbone interact. energy: -3.248
local terms energy: -714.015604
where:
bonds (distance) C4'-P energy: -148.411
bonds (distance) P-C4' energy: -137.408
flat angles C4'-P-C4' energy: -141.595
flat angles P-C4'-P energy: -108.459
tors. eta vs tors. theta energy: -178.143
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: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2101.296440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.296440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.296440 (E_RNA)
where:
Base-Base interactions energy: -1387.012
where: short stacking energy: -617.760
Base-Backbone interact. energy: 2.919
local terms energy: -717.204166
where:
bonds (distance) C4'-P energy: -133.733
bonds (distance) P-C4' energy: -135.406
flat angles C4'-P-C4' energy: -151.870
flat angles P-C4'-P energy: -120.374
tors. eta vs tors. theta energy: -175.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1844.340346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.340346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.340346 (E_RNA)
where:
Base-Base interactions energy: -1204.775
where: short stacking energy: -556.109
Base-Backbone interact. energy: 1.274
local terms energy: -640.839222
where:
bonds (distance) C4'-P energy: -126.598
bonds (distance) P-C4' energy: -126.453
flat angles C4'-P-C4' energy: -143.181
flat angles P-C4'-P energy: -102.065
tors. eta vs tors. theta energy: -142.541
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: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1867.317162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.317162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.317162 (E_RNA)
where:
Base-Base interactions energy: -1249.390
where: short stacking energy: -551.735
Base-Backbone interact. energy: -3.337
local terms energy: -614.590292
where:
bonds (distance) C4'-P energy: -116.294
bonds (distance) P-C4' energy: -127.245
flat angles C4'-P-C4' energy: -143.634
flat angles P-C4'-P energy: -97.462
tors. eta vs tors. theta energy: -129.955
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: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1298.258678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.258678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.258678 (E_RNA)
where:
Base-Base interactions energy: -762.259
where: short stacking energy: -363.566
Base-Backbone interact. energy: 2.275
local terms energy: -538.273827
where:
bonds (distance) C4'-P energy: -136.745
bonds (distance) P-C4' energy: -123.261
flat angles C4'-P-C4' energy: -130.565
flat angles P-C4'-P energy: -78.219
tors. eta vs tors. theta energy: -69.484
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: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1298.672194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.672194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.672194 (E_RNA)
where:
Base-Base interactions energy: -823.672
where: short stacking energy: -387.970
Base-Backbone interact. energy: -2.089
local terms energy: -472.910969
where:
bonds (distance) C4'-P energy: -95.140
bonds (distance) P-C4' energy: -133.386
flat angles C4'-P-C4' energy: -94.633
flat angles P-C4'-P energy: -72.970
tors. eta vs tors. theta energy: -76.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1091.297803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.297803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.297803 (E_RNA)
where:
Base-Base interactions energy: -667.553
where: short stacking energy: -317.370
Base-Backbone interact. energy: -2.700
local terms energy: -421.045215
where:
bonds (distance) C4'-P energy: -101.886
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -96.794
flat angles P-C4'-P energy: -79.197
tors. eta vs tors. theta energy: -40.732
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: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -558.020728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.020728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.020728 (E_RNA)
where:
Base-Base interactions energy: -216.057
where: short stacking energy: -148.294
Base-Backbone interact. energy: -1.743
local terms energy: -340.221331
where:
bonds (distance) C4'-P energy: -117.168
bonds (distance) P-C4' energy: -114.150
flat angles C4'-P-C4' energy: -95.520
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: 36.433
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: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2452.361468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.361468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.361468 (E_RNA)
where:
Base-Base interactions energy: -1701.893
where: short stacking energy: -717.265
Base-Backbone interact. energy: 2.101
local terms energy: -752.569619
where:
bonds (distance) C4'-P energy: -149.605
bonds (distance) P-C4' energy: -147.049
flat angles C4'-P-C4' energy: -151.804
flat angles P-C4'-P energy: -108.133
tors. eta vs tors. theta energy: -195.979
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: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2370.881499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.881499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.881499 (E_RNA)
where:
Base-Base interactions energy: -1655.407
where: short stacking energy: -691.748
Base-Backbone interact. energy: -5.365
local terms energy: -710.108885
where:
bonds (distance) C4'-P energy: -133.187
bonds (distance) P-C4' energy: -136.817
flat angles C4'-P-C4' energy: -149.918
flat angles P-C4'-P energy: -100.607
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: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2231.008075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.008075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.008075 (E_RNA)
where:
Base-Base interactions energy: -1501.661
where: short stacking energy: -641.576
Base-Backbone interact. energy: 2.747
local terms energy: -732.093908
where:
bonds (distance) C4'-P energy: -143.644
bonds (distance) P-C4' energy: -149.291
flat angles C4'-P-C4' energy: -154.616
flat angles P-C4'-P energy: -99.097
tors. eta vs tors. theta energy: -185.445
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2075.965719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.965719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.965719 (E_RNA)
where:
Base-Base interactions energy: -1394.093
where: short stacking energy: -634.566
Base-Backbone interact. energy: -3.124
local terms energy: -678.748727
where:
bonds (distance) C4'-P energy: -124.066
bonds (distance) P-C4' energy: -131.964
flat angles C4'-P-C4' energy: -149.056
flat angles P-C4'-P energy: -105.332
tors. eta vs tors. theta energy: -168.331
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: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1916.678399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.678399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.678399 (E_RNA)
where:
Base-Base interactions energy: -1265.691
where: short stacking energy: -611.911
Base-Backbone interact. energy: -2.142
local terms energy: -648.845170
where:
bonds (distance) C4'-P energy: -142.767
bonds (distance) P-C4' energy: -118.706
flat angles C4'-P-C4' energy: -136.947
flat angles P-C4'-P energy: -86.661
tors. eta vs tors. theta energy: -163.764
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: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1843.710016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.710016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.710016 (E_RNA)
where:
Base-Base interactions energy: -1221.701
where: short stacking energy: -562.972
Base-Backbone interact. energy: -3.884
local terms energy: -618.125507
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -149.809
flat angles C4'-P-C4' energy: -126.865
flat angles P-C4'-P energy: -87.641
tors. eta vs tors. theta energy: -128.678
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: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1408.522750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.522750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.522750 (E_RNA)
where:
Base-Base interactions energy: -855.412
where: short stacking energy: -398.709
Base-Backbone interact. energy: 0.432
local terms energy: -553.542504
where:
bonds (distance) C4'-P energy: -112.454
bonds (distance) P-C4' energy: -135.366
flat angles C4'-P-C4' energy: -141.467
flat angles P-C4'-P energy: -84.949
tors. eta vs tors. theta energy: -79.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1249.116206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.116206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.116206 (E_RNA)
where:
Base-Base interactions energy: -760.105
where: short stacking energy: -354.585
Base-Backbone interact. energy: -2.937
local terms energy: -486.074790
where:
bonds (distance) C4'-P energy: -114.987
bonds (distance) P-C4' energy: -137.098
flat angles C4'-P-C4' energy: -109.342
flat angles P-C4'-P energy: -74.924
tors. eta vs tors. theta energy: -49.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1070.671937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.671937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.671937 (E_RNA)
where:
Base-Base interactions energy: -618.268
where: short stacking energy: -313.564
Base-Backbone interact. energy: -0.185
local terms energy: -452.218396
where:
bonds (distance) C4'-P energy: -107.046
bonds (distance) P-C4' energy: -111.913
flat angles C4'-P-C4' energy: -116.326
flat angles P-C4'-P energy: -82.060
tors. eta vs tors. theta energy: -34.873
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: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -562.968089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.968089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.968089 (E_RNA)
where:
Base-Base interactions energy: -215.826
where: short stacking energy: -167.528
Base-Backbone interact. energy: 4.676
local terms energy: -351.817759
where:
bonds (distance) C4'-P energy: -110.140
bonds (distance) P-C4' energy: -121.137
flat angles C4'-P-C4' energy: -93.909
flat angles P-C4'-P energy: -62.223
tors. eta vs tors. theta energy: 35.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2463.405820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.405820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.405820 (E_RNA)
where:
Base-Base interactions energy: -1700.042
where: short stacking energy: -702.356
Base-Backbone interact. energy: -2.084
local terms energy: -761.279904
where:
bonds (distance) C4'-P energy: -134.113
bonds (distance) P-C4' energy: -149.373
flat angles C4'-P-C4' energy: -163.619
flat angles P-C4'-P energy: -118.675
tors. eta vs tors. theta energy: -195.499
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: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2414.912111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.912111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.912111 (E_RNA)
where:
Base-Base interactions energy: -1670.090
where: short stacking energy: -678.830
Base-Backbone interact. energy: -1.405
local terms energy: -743.416944
where:
bonds (distance) C4'-P energy: -152.819
bonds (distance) P-C4' energy: -152.149
flat angles C4'-P-C4' energy: -155.473
flat angles P-C4'-P energy: -93.757
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: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2259.982174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.982174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.982174 (E_RNA)
where:
Base-Base interactions energy: -1557.370
where: short stacking energy: -671.566
Base-Backbone interact. energy: -3.405
local terms energy: -699.207065
where:
bonds (distance) C4'-P energy: -120.714
bonds (distance) P-C4' energy: -144.029
flat angles C4'-P-C4' energy: -144.824
flat angles P-C4'-P energy: -107.200
tors. eta vs tors. theta energy: -182.440
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: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2057.186999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.186999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.186999 (E_RNA)
where:
Base-Base interactions energy: -1375.552
where: short stacking energy: -624.523
Base-Backbone interact. energy: -1.216
local terms energy: -680.418531
where:
bonds (distance) C4'-P energy: -128.278
bonds (distance) P-C4' energy: -129.727
flat angles C4'-P-C4' energy: -148.499
flat angles P-C4'-P energy: -106.671
tors. eta vs tors. theta energy: -167.244
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: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1872.771406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.771406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.771406 (E_RNA)
where:
Base-Base interactions energy: -1224.879
where: short stacking energy: -561.931
Base-Backbone interact. energy: -2.297
local terms energy: -645.595578
where:
bonds (distance) C4'-P energy: -141.831
bonds (distance) P-C4' energy: -125.954
flat angles C4'-P-C4' energy: -141.740
flat angles P-C4'-P energy: -93.395
tors. eta vs tors. theta energy: -142.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1753.002951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.002951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.002951 (E_RNA)
where:
Base-Base interactions energy: -1149.736
where: short stacking energy: -526.551
Base-Backbone interact. energy: -2.236
local terms energy: -601.030680
where:
bonds (distance) C4'-P energy: -120.066
bonds (distance) P-C4' energy: -137.796
flat angles C4'-P-C4' energy: -134.290
flat angles P-C4'-P energy: -87.968
tors. eta vs tors. theta energy: -120.911
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: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1356.565861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.565861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.565861 (E_RNA)
where:
Base-Base interactions energy: -803.763
where: short stacking energy: -390.812
Base-Backbone interact. energy: -3.107
local terms energy: -549.696397
where:
bonds (distance) C4'-P energy: -130.044
bonds (distance) P-C4' energy: -122.865
flat angles C4'-P-C4' energy: -135.148
flat angles P-C4'-P energy: -78.286
tors. eta vs tors. theta energy: -83.354
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: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1265.494004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.494004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.494004 (E_RNA)
where:
Base-Base interactions energy: -806.025
where: short stacking energy: -376.849
Base-Backbone interact. energy: -4.615
local terms energy: -454.853906
where:
bonds (distance) C4'-P energy: -128.706
bonds (distance) P-C4' energy: -96.527
flat angles C4'-P-C4' energy: -111.531
flat angles P-C4'-P energy: -69.510
tors. eta vs tors. theta energy: -48.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1110.547396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.547396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.547396 (E_RNA)
where:
Base-Base interactions energy: -660.568
where: short stacking energy: -308.196
Base-Backbone interact. energy: 2.411
local terms energy: -452.389614
where:
bonds (distance) C4'-P energy: -110.748
bonds (distance) P-C4' energy: -130.979
flat angles C4'-P-C4' energy: -116.930
flat angles P-C4'-P energy: -62.670
tors. eta vs tors. theta energy: -31.064
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: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -622.676529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.676529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.676529 (E_RNA)
where:
Base-Base interactions energy: -256.112
where: short stacking energy: -169.085
Base-Backbone interact. energy: -3.292
local terms energy: -363.273139
where:
bonds (distance) C4'-P energy: -104.814
bonds (distance) P-C4' energy: -107.192
flat angles C4'-P-C4' energy: -108.474
flat angles P-C4'-P energy: -53.879
tors. eta vs tors. theta energy: 11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2473.912090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.912090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.912090 (E_RNA)
where:
Base-Base interactions energy: -1712.200
where: short stacking energy: -732.595
Base-Backbone interact. energy: -4.456
local terms energy: -757.256159
where:
bonds (distance) C4'-P energy: -141.672
bonds (distance) P-C4' energy: -144.335
flat angles C4'-P-C4' energy: -156.305
flat angles P-C4'-P energy: -111.182
tors. eta vs tors. theta energy: -203.764
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: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2403.533143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.533143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.533143 (E_RNA)
where:
Base-Base interactions energy: -1648.041
where: short stacking energy: -695.208
Base-Backbone interact. energy: 0.139
local terms energy: -755.630721
where:
bonds (distance) C4'-P energy: -151.301
bonds (distance) P-C4' energy: -139.153
flat angles C4'-P-C4' energy: -163.315
flat angles P-C4'-P energy: -102.853
tors. eta vs tors. theta energy: -199.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2247.341209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.341209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.341209 (E_RNA)
where:
Base-Base interactions energy: -1508.115
where: short stacking energy: -624.639
Base-Backbone interact. energy: -2.815
local terms energy: -736.411404
where:
bonds (distance) C4'-P energy: -153.985
bonds (distance) P-C4' energy: -149.091
flat angles C4'-P-C4' energy: -159.080
flat angles P-C4'-P energy: -103.078
tors. eta vs tors. theta energy: -171.178
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: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2081.033944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.033944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.033944 (E_RNA)
where:
Base-Base interactions energy: -1418.123
where: short stacking energy: -627.870
Base-Backbone interact. energy: -4.113
local terms energy: -658.797893
where:
bonds (distance) C4'-P energy: -128.513
bonds (distance) P-C4' energy: -122.466
flat angles C4'-P-C4' energy: -146.672
flat angles P-C4'-P energy: -91.804
tors. eta vs tors. theta energy: -169.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1824.303629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.303629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.303629 (E_RNA)
where:
Base-Base interactions energy: -1207.092
where: short stacking energy: -566.158
Base-Backbone interact. energy: 0.287
local terms energy: -617.498409
where:
bonds (distance) C4'-P energy: -117.253
bonds (distance) P-C4' energy: -123.107
flat angles C4'-P-C4' energy: -138.312
flat angles P-C4'-P energy: -88.838
tors. eta vs tors. theta energy: -149.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1851.331474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.331474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.331474 (E_RNA)
where:
Base-Base interactions energy: -1231.883
where: short stacking energy: -539.147
Base-Backbone interact. energy: -2.882
local terms energy: -616.565839
where:
bonds (distance) C4'-P energy: -122.694
bonds (distance) P-C4' energy: -131.474
flat angles C4'-P-C4' energy: -147.289
flat angles P-C4'-P energy: -79.034
tors. eta vs tors. theta energy: -136.075
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1372.065868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.065868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.065868 (E_RNA)
where:
Base-Base interactions energy: -854.983
where: short stacking energy: -378.123
Base-Backbone interact. energy: 0.994
local terms energy: -518.076798
where:
bonds (distance) C4'-P energy: -118.775
bonds (distance) P-C4' energy: -138.760
flat angles C4'-P-C4' energy: -128.693
flat angles P-C4'-P energy: -64.716
tors. eta vs tors. theta energy: -67.133
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: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1343.203097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.203097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.203097 (E_RNA)
where:
Base-Base interactions energy: -796.036
where: short stacking energy: -392.435
Base-Backbone interact. energy: -0.735
local terms energy: -546.431494
where:
bonds (distance) C4'-P energy: -121.033
bonds (distance) P-C4' energy: -137.604
flat angles C4'-P-C4' energy: -131.734
flat angles P-C4'-P energy: -79.987
tors. eta vs tors. theta energy: -76.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1111.551772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.551772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.551772 (E_RNA)
where:
Base-Base interactions energy: -631.765
where: short stacking energy: -319.843
Base-Backbone interact. energy: -2.586
local terms energy: -477.200707
where:
bonds (distance) C4'-P energy: -104.705
bonds (distance) P-C4' energy: -131.589
flat angles C4'-P-C4' energy: -124.345
flat angles P-C4'-P energy: -78.677
tors. eta vs tors. theta energy: -37.885
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: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -659.472951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.472951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.472951 (E_RNA)
where:
Base-Base interactions energy: -268.102
where: short stacking energy: -183.107
Base-Backbone interact. energy: 2.626
local terms energy: -393.996222
where:
bonds (distance) C4'-P energy: -126.082
bonds (distance) P-C4' energy: -126.657
flat angles C4'-P-C4' energy: -81.901
flat angles P-C4'-P energy: -60.966
tors. eta vs tors. theta energy: 1.610
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: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2480.011519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.011519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.011519 (E_RNA)
where:
Base-Base interactions energy: -1685.933
where: short stacking energy: -716.760
Base-Backbone interact. energy: -5.386
local terms energy: -788.692302
where:
bonds (distance) C4'-P energy: -146.024
bonds (distance) P-C4' energy: -157.661
flat angles C4'-P-C4' energy: -169.113
flat angles P-C4'-P energy: -100.402
tors. eta vs tors. theta energy: -215.492
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: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2420.714935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.714935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.714935 (E_RNA)
where:
Base-Base interactions energy: -1681.995
where: short stacking energy: -687.562
Base-Backbone interact. energy: -4.060
local terms energy: -734.659393
where:
bonds (distance) C4'-P energy: -134.001
bonds (distance) P-C4' energy: -138.645
flat angles C4'-P-C4' energy: -160.051
flat angles P-C4'-P energy: -107.063
tors. eta vs tors. theta energy: -194.900
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: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2275.861648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.861648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.861648 (E_RNA)
where:
Base-Base interactions energy: -1568.171
where: short stacking energy: -643.035
Base-Backbone interact. energy: -3.183
local terms energy: -704.507710
where:
bonds (distance) C4'-P energy: -127.414
bonds (distance) P-C4' energy: -160.242
flat angles C4'-P-C4' energy: -142.241
flat angles P-C4'-P energy: -96.381
tors. eta vs tors. theta energy: -178.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2054.578704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.578704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.578704 (E_RNA)
where:
Base-Base interactions energy: -1361.691
where: short stacking energy: -598.841
Base-Backbone interact. energy: -1.649
local terms energy: -691.238839
where:
bonds (distance) C4'-P energy: -120.414
bonds (distance) P-C4' energy: -147.759
flat angles C4'-P-C4' energy: -151.398
flat angles P-C4'-P energy: -99.682
tors. eta vs tors. theta energy: -171.986
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: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1825.571898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.571898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.571898 (E_RNA)
where:
Base-Base interactions energy: -1138.594
where: short stacking energy: -552.199
Base-Backbone interact. energy: -2.187
local terms energy: -684.791365
where:
bonds (distance) C4'-P energy: -146.930
bonds (distance) P-C4' energy: -140.438
flat angles C4'-P-C4' energy: -156.034
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -151.530
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: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1870.353248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.353248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.353248 (E_RNA)
where:
Base-Base interactions energy: -1235.521
where: short stacking energy: -560.696
Base-Backbone interact. energy: -3.556
local terms energy: -631.276772
where:
bonds (distance) C4'-P energy: -127.817
bonds (distance) P-C4' energy: -129.833
flat angles C4'-P-C4' energy: -146.049
flat angles P-C4'-P energy: -81.573
tors. eta vs tors. theta energy: -146.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1452.116011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.116011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.116011 (E_RNA)
where:
Base-Base interactions energy: -882.816
where: short stacking energy: -440.824
Base-Backbone interact. energy: 2.578
local terms energy: -571.877517
where:
bonds (distance) C4'-P energy: -125.648
bonds (distance) P-C4' energy: -135.046
flat angles C4'-P-C4' energy: -137.131
flat angles P-C4'-P energy: -77.510
tors. eta vs tors. theta energy: -96.542
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: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1149.378397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.378397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.378397 (E_RNA)
where:
Base-Base interactions energy: -680.022
where: short stacking energy: -352.428
Base-Backbone interact. energy: -4.998
local terms energy: -464.358821
where:
bonds (distance) C4'-P energy: -116.957
bonds (distance) P-C4' energy: -123.283
flat angles C4'-P-C4' energy: -103.093
flat angles P-C4'-P energy: -64.747
tors. eta vs tors. theta energy: -56.278
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: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1184.079236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.079236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.079236 (E_RNA)
where:
Base-Base interactions energy: -695.324
where: short stacking energy: -332.234
Base-Backbone interact. energy: -2.348
local terms energy: -486.407163
where:
bonds (distance) C4'-P energy: -114.581
bonds (distance) P-C4' energy: -125.599
flat angles C4'-P-C4' energy: -122.253
flat angles P-C4'-P energy: -67.533
tors. eta vs tors. theta energy: -56.442
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: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -666.411708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.411708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.411708 (E_RNA)
where:
Base-Base interactions energy: -297.187
where: short stacking energy: -200.408
Base-Backbone interact. energy: 0.031
local terms energy: -369.255962
where:
bonds (distance) C4'-P energy: -79.961
bonds (distance) P-C4' energy: -120.430
flat angles C4'-P-C4' energy: -128.101
flat angles P-C4'-P energy: -52.272
tors. eta vs tors. theta energy: 11.508
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: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2469.763184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.763184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.763184 (E_RNA)
where:
Base-Base interactions energy: -1719.794
where: short stacking energy: -721.695
Base-Backbone interact. energy: -0.734
local terms energy: -749.235064
where:
bonds (distance) C4'-P energy: -132.017
bonds (distance) P-C4' energy: -154.173
flat angles C4'-P-C4' energy: -157.266
flat angles P-C4'-P energy: -107.899
tors. eta vs tors. theta energy: -197.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2412.609195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.609195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.609195 (E_RNA)
where:
Base-Base interactions energy: -1661.808
where: short stacking energy: -671.607
Base-Backbone interact. energy: -5.115
local terms energy: -745.686283
where:
bonds (distance) C4'-P energy: -152.224
bonds (distance) P-C4' energy: -133.149
flat angles C4'-P-C4' energy: -167.692
flat angles P-C4'-P energy: -102.621
tors. eta vs tors. theta energy: -190.000
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2285.846176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.846176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.846176 (E_RNA)
where:
Base-Base interactions energy: -1581.146
where: short stacking energy: -677.992
Base-Backbone interact. energy: -1.017
local terms energy: -703.683467
where:
bonds (distance) C4'-P energy: -138.591
bonds (distance) P-C4' energy: -134.984
flat angles C4'-P-C4' energy: -152.489
flat angles P-C4'-P energy: -105.020
tors. eta vs tors. theta energy: -172.600
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: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2110.138126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.138126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.138126 (E_RNA)
where:
Base-Base interactions energy: -1395.823
where: short stacking energy: -635.618
Base-Backbone interact. energy: -0.646
local terms energy: -713.668800
where:
bonds (distance) C4'-P energy: -139.658
bonds (distance) P-C4' energy: -134.282
flat angles C4'-P-C4' energy: -153.840
flat angles P-C4'-P energy: -104.184
tors. eta vs tors. theta energy: -181.704
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: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1911.321733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.321733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.321733 (E_RNA)
where:
Base-Base interactions energy: -1250.618
where: short stacking energy: -587.023
Base-Backbone interact. energy: 2.560
local terms energy: -663.263991
where:
bonds (distance) C4'-P energy: -145.192
bonds (distance) P-C4' energy: -125.785
flat angles C4'-P-C4' energy: -146.271
flat angles P-C4'-P energy: -105.193
tors. eta vs tors. theta energy: -140.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1790.760162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.760162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.760162 (E_RNA)
where:
Base-Base interactions energy: -1160.419
where: short stacking energy: -564.686
Base-Backbone interact. energy: -1.894
local terms energy: -628.446622
where:
bonds (distance) C4'-P energy: -119.235
bonds (distance) P-C4' energy: -126.619
flat angles C4'-P-C4' energy: -157.565
flat angles P-C4'-P energy: -75.532
tors. eta vs tors. theta energy: -149.495
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: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1361.967428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.967428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.967428 (E_RNA)
where:
Base-Base interactions energy: -828.589
where: short stacking energy: -371.642
Base-Backbone interact. energy: -0.005
local terms energy: -533.374335
where:
bonds (distance) C4'-P energy: -122.044
bonds (distance) P-C4' energy: -134.086
flat angles C4'-P-C4' energy: -137.105
flat angles P-C4'-P energy: -70.956
tors. eta vs tors. theta energy: -69.183
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: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1149.044780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.044780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.044780 (E_RNA)
where:
Base-Base interactions energy: -665.939
where: short stacking energy: -340.629
Base-Backbone interact. energy: 2.108
local terms energy: -485.214076
where:
bonds (distance) C4'-P energy: -130.925
bonds (distance) P-C4' energy: -113.048
flat angles C4'-P-C4' energy: -130.593
flat angles P-C4'-P energy: -51.422
tors. eta vs tors. theta energy: -59.227
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: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1212.878703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.878703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.878703 (E_RNA)
where:
Base-Base interactions energy: -728.747
where: short stacking energy: -355.778
Base-Backbone interact. energy: -3.045
local terms energy: -481.086058
where:
bonds (distance) C4'-P energy: -113.575
bonds (distance) P-C4' energy: -137.456
flat angles C4'-P-C4' energy: -97.803
flat angles P-C4'-P energy: -76.726
tors. eta vs tors. theta energy: -55.526
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: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -705.525202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.525202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.525202 (E_RNA)
where:
Base-Base interactions energy: -319.364
where: short stacking energy: -206.558
Base-Backbone interact. energy: 5.560
local terms energy: -391.720771
where:
bonds (distance) C4'-P energy: -114.587
bonds (distance) P-C4' energy: -120.147
flat angles C4'-P-C4' energy: -118.724
flat angles P-C4'-P energy: -50.278
tors. eta vs tors. theta energy: 12.016
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: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2473.276173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.276173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.276173 (E_RNA)
where:
Base-Base interactions energy: -1712.057
where: short stacking energy: -687.180
Base-Backbone interact. energy: -3.723
local terms energy: -757.496928
where:
bonds (distance) C4'-P energy: -144.732
bonds (distance) P-C4' energy: -142.449
flat angles C4'-P-C4' energy: -171.533
flat angles P-C4'-P energy: -102.634
tors. eta vs tors. theta energy: -196.148
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: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2405.641038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.641038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.641038 (E_RNA)
where:
Base-Base interactions energy: -1662.788
where: short stacking energy: -690.751
Base-Backbone interact. energy: -5.753
local terms energy: -737.100661
where:
bonds (distance) C4'-P energy: -138.117
bonds (distance) P-C4' energy: -141.996
flat angles C4'-P-C4' energy: -151.091
flat angles P-C4'-P energy: -102.975
tors. eta vs tors. theta energy: -202.921
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: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2316.443766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.443766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.443766 (E_RNA)
where:
Base-Base interactions energy: -1591.799
where: short stacking energy: -689.700
Base-Backbone interact. energy: -3.000
local terms energy: -721.645400
where:
bonds (distance) C4'-P energy: -148.996
bonds (distance) P-C4' energy: -114.604
flat angles C4'-P-C4' energy: -165.424
flat angles P-C4'-P energy: -106.669
tors. eta vs tors. theta energy: -185.954
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2065.176215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.176215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.176215 (E_RNA)
where:
Base-Base interactions energy: -1384.541
where: short stacking energy: -636.499
Base-Backbone interact. energy: -6.385
local terms energy: -674.250451
where:
bonds (distance) C4'-P energy: -114.624
bonds (distance) P-C4' energy: -140.710
flat angles C4'-P-C4' energy: -145.917
flat angles P-C4'-P energy: -111.119
tors. eta vs tors. theta energy: -161.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1927.881386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.881386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.881386 (E_RNA)
where:
Base-Base interactions energy: -1287.722
where: short stacking energy: -602.170
Base-Backbone interact. energy: -3.010
local terms energy: -637.148850
where:
bonds (distance) C4'-P energy: -115.651
bonds (distance) P-C4' energy: -146.792
flat angles C4'-P-C4' energy: -130.968
flat angles P-C4'-P energy: -96.102
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: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1755.635726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.635726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.635726 (E_RNA)
where:
Base-Base interactions energy: -1114.747
where: short stacking energy: -541.399
Base-Backbone interact. energy: -0.617
local terms energy: -640.271899
where:
bonds (distance) C4'-P energy: -133.982
bonds (distance) P-C4' energy: -118.251
flat angles C4'-P-C4' energy: -146.495
flat angles P-C4'-P energy: -97.088
tors. eta vs tors. theta energy: -144.455
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: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1349.269313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.269313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.269313 (E_RNA)
where:
Base-Base interactions energy: -797.139
where: short stacking energy: -390.451
Base-Backbone interact. energy: -1.527
local terms energy: -550.603255
where:
bonds (distance) C4'-P energy: -135.450
bonds (distance) P-C4' energy: -126.497
flat angles C4'-P-C4' energy: -118.297
flat angles P-C4'-P energy: -88.698
tors. eta vs tors. theta energy: -81.661
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: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1248.297724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.297724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.297724 (E_RNA)
where:
Base-Base interactions energy: -724.273
where: short stacking energy: -349.653
Base-Backbone interact. energy: -0.278
local terms energy: -523.746388
where:
bonds (distance) C4'-P energy: -125.146
bonds (distance) P-C4' energy: -143.106
flat angles C4'-P-C4' energy: -126.912
flat angles P-C4'-P energy: -71.138
tors. eta vs tors. theta energy: -57.444
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: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -981.193985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.193985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.193985 (E_RNA)
where:
Base-Base interactions energy: -535.731
where: short stacking energy: -270.642
Base-Backbone interact. energy: 5.216
local terms energy: -450.678635
where:
bonds (distance) C4'-P energy: -129.246
bonds (distance) P-C4' energy: -126.092
flat angles C4'-P-C4' energy: -112.911
flat angles P-C4'-P energy: -66.889
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -665.508034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.508034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.508034 (E_RNA)
where:
Base-Base interactions energy: -275.894
where: short stacking energy: -172.120
Base-Backbone interact. energy: -1.061
local terms energy: -388.553381
where:
bonds (distance) C4'-P energy: -117.776
bonds (distance) P-C4' energy: -126.921
flat angles C4'-P-C4' energy: -110.154
flat angles P-C4'-P energy: -51.431
tors. eta vs tors. theta energy: 17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2468.835364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.835364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.835364 (E_RNA)
where:
Base-Base interactions energy: -1691.564
where: short stacking energy: -728.441
Base-Backbone interact. energy: -1.307
local terms energy: -775.964169
where:
bonds (distance) C4'-P energy: -141.457
bonds (distance) P-C4' energy: -155.414
flat angles C4'-P-C4' energy: -169.756
flat angles P-C4'-P energy: -103.997
tors. eta vs tors. theta energy: -205.340
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: 2, replica: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2375.256088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.256088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.256088 (E_RNA)
where:
Base-Base interactions energy: -1671.751
where: short stacking energy: -698.169
Base-Backbone interact. energy: -1.559
local terms energy: -701.945923
where:
bonds (distance) C4'-P energy: -132.577
bonds (distance) P-C4' energy: -145.920
flat angles C4'-P-C4' energy: -147.150
flat angles P-C4'-P energy: -95.934
tors. eta vs tors. theta energy: -180.365
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: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2341.382015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.382015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.382015 (E_RNA)
where:
Base-Base interactions energy: -1621.851
where: short stacking energy: -677.104
Base-Backbone interact. energy: -3.116
local terms energy: -716.414517
where:
bonds (distance) C4'-P energy: -137.653
bonds (distance) P-C4' energy: -129.189
flat angles C4'-P-C4' energy: -160.534
flat angles P-C4'-P energy: -103.921
tors. eta vs tors. theta energy: -185.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2065.416624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.416624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.416624 (E_RNA)
where:
Base-Base interactions energy: -1379.296
where: short stacking energy: -629.822
Base-Backbone interact. energy: -1.419
local terms energy: -684.702096
where:
bonds (distance) C4'-P energy: -120.832
bonds (distance) P-C4' energy: -150.938
flat angles C4'-P-C4' energy: -155.292
flat angles P-C4'-P energy: -104.224
tors. eta vs tors. theta energy: -153.416
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: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1974.878493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.878493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.878493 (E_RNA)
where:
Base-Base interactions energy: -1340.705
where: short stacking energy: -582.211
Base-Backbone interact. energy: -1.545
local terms energy: -632.628455
where:
bonds (distance) C4'-P energy: -113.953
bonds (distance) P-C4' energy: -138.484
flat angles C4'-P-C4' energy: -147.181
flat angles P-C4'-P energy: -87.309
tors. eta vs tors. theta energy: -145.701
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: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1751.871932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.871932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.871932 (E_RNA)
where:
Base-Base interactions energy: -1153.823
where: short stacking energy: -520.040
Base-Backbone interact. energy: -1.013
local terms energy: -597.035767
where:
bonds (distance) C4'-P energy: -138.880
bonds (distance) P-C4' energy: -125.203
flat angles C4'-P-C4' energy: -127.231
flat angles P-C4'-P energy: -75.639
tors. eta vs tors. theta energy: -130.082
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: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1366.378252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.378252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.378252 (E_RNA)
where:
Base-Base interactions energy: -839.651
where: short stacking energy: -401.917
Base-Backbone interact. energy: -1.944
local terms energy: -524.783366
where:
bonds (distance) C4'-P energy: -120.886
bonds (distance) P-C4' energy: -130.107
flat angles C4'-P-C4' energy: -127.586
flat angles P-C4'-P energy: -77.121
tors. eta vs tors. theta energy: -69.083
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: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1364.964611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.964611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.964611 (E_RNA)
where:
Base-Base interactions energy: -865.375
where: short stacking energy: -374.466
Base-Backbone interact. energy: -1.199
local terms energy: -498.391423
where:
bonds (distance) C4'-P energy: -118.312
bonds (distance) P-C4' energy: -123.249
flat angles C4'-P-C4' energy: -104.049
flat angles P-C4'-P energy: -82.195
tors. eta vs tors. theta energy: -70.585
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: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -968.766556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.766556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.766556 (E_RNA)
where:
Base-Base interactions energy: -525.182
where: short stacking energy: -280.853
Base-Backbone interact. energy: 0.879
local terms energy: -444.464327
where:
bonds (distance) C4'-P energy: -123.979
bonds (distance) P-C4' energy: -111.078
flat angles C4'-P-C4' energy: -123.176
flat angles P-C4'-P energy: -66.469
tors. eta vs tors. theta energy: -19.763
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: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -673.283676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.283676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.283676 (E_RNA)
where:
Base-Base interactions energy: -277.132
where: short stacking energy: -193.430
Base-Backbone interact. energy: -2.707
local terms energy: -393.444250
where:
bonds (distance) C4'-P energy: -112.235
bonds (distance) P-C4' energy: -129.235
flat angles C4'-P-C4' energy: -106.365
flat angles P-C4'-P energy: -48.336
tors. eta vs tors. theta energy: 2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2500.227524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.227524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.227524 (E_RNA)
where:
Base-Base interactions energy: -1705.688
where: short stacking energy: -733.996
Base-Backbone interact. energy: -3.541
local terms energy: -790.998456
where:
bonds (distance) C4'-P energy: -143.962
bonds (distance) P-C4' energy: -149.621
flat angles C4'-P-C4' energy: -167.079
flat angles P-C4'-P energy: -119.391
tors. eta vs tors. theta energy: -210.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2421.226354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.226354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.226354 (E_RNA)
where:
Base-Base interactions energy: -1668.442
where: short stacking energy: -718.207
Base-Backbone interact. energy: -10.088
local terms energy: -742.696162
where:
bonds (distance) C4'-P energy: -153.815
bonds (distance) P-C4' energy: -130.984
flat angles C4'-P-C4' energy: -160.972
flat angles P-C4'-P energy: -107.793
tors. eta vs tors. theta energy: -189.133
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: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2305.532653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.532653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.532653 (E_RNA)
where:
Base-Base interactions energy: -1557.308
where: short stacking energy: -648.405
Base-Backbone interact. energy: -2.575
local terms energy: -745.649567
where:
bonds (distance) C4'-P energy: -136.789
bonds (distance) P-C4' energy: -147.520
flat angles C4'-P-C4' energy: -160.558
flat angles P-C4'-P energy: -109.583
tors. eta vs tors. theta energy: -191.200
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: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2096.460833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.460833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.460833 (E_RNA)
where:
Base-Base interactions energy: -1397.622
where: short stacking energy: -635.955
Base-Backbone interact. energy: -2.802
local terms energy: -696.037366
where:
bonds (distance) C4'-P energy: -129.200
bonds (distance) P-C4' energy: -141.428
flat angles C4'-P-C4' energy: -150.703
flat angles P-C4'-P energy: -92.329
tors. eta vs tors. theta energy: -182.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2008.053099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.053099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.053099 (E_RNA)
where:
Base-Base interactions energy: -1356.206
where: short stacking energy: -613.220
Base-Backbone interact. energy: -1.083
local terms energy: -650.763669
where:
bonds (distance) C4'-P energy: -117.974
bonds (distance) P-C4' energy: -138.859
flat angles C4'-P-C4' energy: -135.421
flat angles P-C4'-P energy: -88.543
tors. eta vs tors. theta energy: -169.967
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: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1793.095881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.095881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.095881 (E_RNA)
where:
Base-Base interactions energy: -1135.728
where: short stacking energy: -535.855
Base-Backbone interact. energy: -4.447
local terms energy: -652.920811
where:
bonds (distance) C4'-P energy: -140.875
bonds (distance) P-C4' energy: -133.288
flat angles C4'-P-C4' energy: -147.326
flat angles P-C4'-P energy: -91.127
tors. eta vs tors. theta energy: -140.305
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: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1370.178559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.178559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.178559 (E_RNA)
where:
Base-Base interactions energy: -844.799
where: short stacking energy: -393.817
Base-Backbone interact. energy: -1.277
local terms energy: -524.103038
where:
bonds (distance) C4'-P energy: -123.307
bonds (distance) P-C4' energy: -130.464
flat angles C4'-P-C4' energy: -125.032
flat angles P-C4'-P energy: -84.511
tors. eta vs tors. theta energy: -60.789
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: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1400.538933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.538933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.538933 (E_RNA)
where:
Base-Base interactions energy: -888.300
where: short stacking energy: -401.789
Base-Backbone interact. energy: -1.598
local terms energy: -510.640999
where:
bonds (distance) C4'-P energy: -100.943
bonds (distance) P-C4' energy: -108.649
flat angles C4'-P-C4' energy: -130.129
flat angles P-C4'-P energy: -81.498
tors. eta vs tors. theta energy: -89.422
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: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -904.896701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.896701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.896701 (E_RNA)
where:
Base-Base interactions energy: -487.816
where: short stacking energy: -263.426
Base-Backbone interact. energy: -4.024
local terms energy: -413.056965
where:
bonds (distance) C4'-P energy: -98.021
bonds (distance) P-C4' energy: -123.326
flat angles C4'-P-C4' energy: -105.188
flat angles P-C4'-P energy: -76.413
tors. eta vs tors. theta energy: -10.108
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: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -603.854837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.854837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.854837 (E_RNA)
where:
Base-Base interactions energy: -258.457
where: short stacking energy: -177.077
Base-Backbone interact. energy: -4.646
local terms energy: -340.751670
where:
bonds (distance) C4'-P energy: -91.808
bonds (distance) P-C4' energy: -103.933
flat angles C4'-P-C4' energy: -99.073
flat angles P-C4'-P energy: -58.964
tors. eta vs tors. theta energy: 13.027
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: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2466.141369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.141369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.141369 (E_RNA)
where:
Base-Base interactions energy: -1712.838
where: short stacking energy: -738.198
Base-Backbone interact. energy: -2.897
local terms energy: -750.406380
where:
bonds (distance) C4'-P energy: -134.422
bonds (distance) P-C4' energy: -141.980
flat angles C4'-P-C4' energy: -155.719
flat angles P-C4'-P energy: -105.040
tors. eta vs tors. theta energy: -213.246
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: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2390.641504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.641504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.641504 (E_RNA)
where:
Base-Base interactions energy: -1645.759
where: short stacking energy: -691.740
Base-Backbone interact. energy: -3.926
local terms energy: -740.956775
where:
bonds (distance) C4'-P energy: -147.370
bonds (distance) P-C4' energy: -140.698
flat angles C4'-P-C4' energy: -161.018
flat angles P-C4'-P energy: -102.477
tors. eta vs tors. theta energy: -189.393
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: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2294.821714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.821714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.821714 (E_RNA)
where:
Base-Base interactions energy: -1551.049
where: short stacking energy: -672.500
Base-Backbone interact. energy: -3.784
local terms energy: -739.988668
where:
bonds (distance) C4'-P energy: -147.591
bonds (distance) P-C4' energy: -137.057
flat angles C4'-P-C4' energy: -153.697
flat angles P-C4'-P energy: -101.688
tors. eta vs tors. theta energy: -199.957
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: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2083.193835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.193835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.193835 (E_RNA)
where:
Base-Base interactions energy: -1397.747
where: short stacking energy: -658.173
Base-Backbone interact. energy: 1.547
local terms energy: -686.993588
where:
bonds (distance) C4'-P energy: -138.950
bonds (distance) P-C4' energy: -118.750
flat angles C4'-P-C4' energy: -147.336
flat angles P-C4'-P energy: -95.483
tors. eta vs tors. theta energy: -186.474
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: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2094.014996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.014996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.014996 (E_RNA)
where:
Base-Base interactions energy: -1392.809
where: short stacking energy: -632.885
Base-Backbone interact. energy: -1.338
local terms energy: -699.868652
where:
bonds (distance) C4'-P energy: -134.955
bonds (distance) P-C4' energy: -130.168
flat angles C4'-P-C4' energy: -153.041
flat angles P-C4'-P energy: -97.184
tors. eta vs tors. theta energy: -184.521
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: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1814.671356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.671356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.671356 (E_RNA)
where:
Base-Base interactions energy: -1173.990
where: short stacking energy: -586.800
Base-Backbone interact. energy: 1.463
local terms energy: -642.143954
where:
bonds (distance) C4'-P energy: -112.705
bonds (distance) P-C4' energy: -121.450
flat angles C4'-P-C4' energy: -142.076
flat angles P-C4'-P energy: -86.797
tors. eta vs tors. theta energy: -179.117
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: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1416.122152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.122152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.122152 (E_RNA)
where:
Base-Base interactions energy: -883.271
where: short stacking energy: -419.857
Base-Backbone interact. energy: 0.329
local terms energy: -533.179630
where:
bonds (distance) C4'-P energy: -116.057
bonds (distance) P-C4' energy: -129.755
flat angles C4'-P-C4' energy: -110.562
flat angles P-C4'-P energy: -104.166
tors. eta vs tors. theta energy: -72.640
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: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1409.670037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.670037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.670037 (E_RNA)
where:
Base-Base interactions energy: -910.795
where: short stacking energy: -404.230
Base-Backbone interact. energy: -4.797
local terms energy: -494.077965
where:
bonds (distance) C4'-P energy: -109.044
bonds (distance) P-C4' energy: -114.770
flat angles C4'-P-C4' energy: -119.299
flat angles P-C4'-P energy: -82.429
tors. eta vs tors. theta energy: -68.537
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: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -985.486860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.486860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.486860 (E_RNA)
where:
Base-Base interactions energy: -539.000
where: short stacking energy: -274.419
Base-Backbone interact. energy: 5.313
local terms energy: -451.800329
where:
bonds (distance) C4'-P energy: -114.667
bonds (distance) P-C4' energy: -107.504
flat angles C4'-P-C4' energy: -118.571
flat angles P-C4'-P energy: -83.732
tors. eta vs tors. theta energy: -27.325
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: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -614.138303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.138303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.138303 (E_RNA)
where:
Base-Base interactions energy: -278.016
where: short stacking energy: -162.715
Base-Backbone interact. energy: 1.204
local terms energy: -337.326674
where:
bonds (distance) C4'-P energy: -105.507
bonds (distance) P-C4' energy: -115.113
flat angles C4'-P-C4' energy: -92.393
flat angles P-C4'-P energy: -51.010
tors. eta vs tors. theta energy: 26.696
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: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2456.369887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.369887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.369887 (E_RNA)
where:
Base-Base interactions energy: -1706.861
where: short stacking energy: -706.593
Base-Backbone interact. energy: -2.128
local terms energy: -747.380949
where:
bonds (distance) C4'-P energy: -129.844
bonds (distance) P-C4' energy: -154.717
flat angles C4'-P-C4' energy: -169.091
flat angles P-C4'-P energy: -102.125
tors. eta vs tors. theta energy: -191.604
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: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2386.761005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.761005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.761005 (E_RNA)
where:
Base-Base interactions energy: -1611.101
where: short stacking energy: -678.361
Base-Backbone interact. energy: -3.620
local terms energy: -772.040568
where:
bonds (distance) C4'-P energy: -161.161
bonds (distance) P-C4' energy: -151.545
flat angles C4'-P-C4' energy: -171.108
flat angles P-C4'-P energy: -87.490
tors. eta vs tors. theta energy: -200.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2333.997514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.997514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.997514 (E_RNA)
where:
Base-Base interactions energy: -1622.718
where: short stacking energy: -682.552
Base-Backbone interact. energy: 1.557
local terms energy: -712.836663
where:
bonds (distance) C4'-P energy: -133.051
bonds (distance) P-C4' energy: -136.651
flat angles C4'-P-C4' energy: -152.674
flat angles P-C4'-P energy: -102.371
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: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2170.408078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.408078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.408078 (E_RNA)
where:
Base-Base interactions energy: -1468.998
where: short stacking energy: -642.985
Base-Backbone interact. energy: -0.774
local terms energy: -700.636034
where:
bonds (distance) C4'-P energy: -135.651
bonds (distance) P-C4' energy: -132.073
flat angles C4'-P-C4' energy: -150.580
flat angles P-C4'-P energy: -90.881
tors. eta vs tors. theta energy: -191.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2022.653064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.653064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.653064 (E_RNA)
where:
Base-Base interactions energy: -1338.924
where: short stacking energy: -595.144
Base-Backbone interact. energy: 0.928
local terms energy: -684.657840
where:
bonds (distance) C4'-P energy: -120.829
bonds (distance) P-C4' energy: -140.055
flat angles C4'-P-C4' energy: -152.844
flat angles P-C4'-P energy: -103.676
tors. eta vs tors. theta energy: -167.254
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: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1725.365777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.365777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.365777 (E_RNA)
where:
Base-Base interactions energy: -1122.948
where: short stacking energy: -513.360
Base-Backbone interact. energy: -0.100
local terms energy: -602.317848
where:
bonds (distance) C4'-P energy: -129.704
bonds (distance) P-C4' energy: -132.499
flat angles C4'-P-C4' energy: -143.070
flat angles P-C4'-P energy: -80.518
tors. eta vs tors. theta energy: -116.527
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: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1391.971485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.971485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.971485 (E_RNA)
where:
Base-Base interactions energy: -854.189
where: short stacking energy: -414.384
Base-Backbone interact. energy: -4.191
local terms energy: -533.591953
where:
bonds (distance) C4'-P energy: -128.951
bonds (distance) P-C4' energy: -140.375
flat angles C4'-P-C4' energy: -107.647
flat angles P-C4'-P energy: -89.490
tors. eta vs tors. theta energy: -67.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1456.222510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.222510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.222510 (E_RNA)
where:
Base-Base interactions energy: -913.328
where: short stacking energy: -439.696
Base-Backbone interact. energy: 5.749
local terms energy: -548.643611
where:
bonds (distance) C4'-P energy: -112.617
bonds (distance) P-C4' energy: -130.546
flat angles C4'-P-C4' energy: -128.809
flat angles P-C4'-P energy: -88.744
tors. eta vs tors. theta energy: -87.927
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: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -968.278193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.278193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.278193 (E_RNA)
where:
Base-Base interactions energy: -535.407
where: short stacking energy: -262.895
Base-Backbone interact. energy: 0.918
local terms energy: -433.788374
where:
bonds (distance) C4'-P energy: -127.394
bonds (distance) P-C4' energy: -117.558
flat angles C4'-P-C4' energy: -99.771
flat angles P-C4'-P energy: -78.738
tors. eta vs tors. theta energy: -10.327
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: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -598.447990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.447990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.447990 (E_RNA)
where:
Base-Base interactions energy: -237.725
where: short stacking energy: -171.442
Base-Backbone interact. energy: 2.216
local terms energy: -362.938544
where:
bonds (distance) C4'-P energy: -111.409
bonds (distance) P-C4' energy: -106.834
flat angles C4'-P-C4' energy: -114.252
flat angles P-C4'-P energy: -56.659
tors. eta vs tors. theta energy: 26.215
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: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2483.854590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.854590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.854590 (E_RNA)
where:
Base-Base interactions energy: -1709.632
where: short stacking energy: -713.030
Base-Backbone interact. energy: -3.666
local terms energy: -770.557073
where:
bonds (distance) C4'-P energy: -132.452
bonds (distance) P-C4' energy: -153.360
flat angles C4'-P-C4' energy: -162.453
flat angles P-C4'-P energy: -117.109
tors. eta vs tors. theta energy: -205.183
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: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2373.680117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.680117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.680117 (E_RNA)
where:
Base-Base interactions energy: -1626.319
where: short stacking energy: -687.079
Base-Backbone interact. energy: -1.295
local terms energy: -746.066117
where:
bonds (distance) C4'-P energy: -123.529
bonds (distance) P-C4' energy: -155.347
flat angles C4'-P-C4' energy: -150.960
flat angles P-C4'-P energy: -112.192
tors. eta vs tors. theta energy: -204.038
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: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2279.450949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.450949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.450949 (E_RNA)
where:
Base-Base interactions energy: -1602.075
where: short stacking energy: -635.602
Base-Backbone interact. energy: -2.324
local terms energy: -675.051807
where:
bonds (distance) C4'-P energy: -147.780
bonds (distance) P-C4' energy: -137.919
flat angles C4'-P-C4' energy: -141.499
flat angles P-C4'-P energy: -76.049
tors. eta vs tors. theta energy: -171.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2184.181265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.181265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.181265 (E_RNA)
where:
Base-Base interactions energy: -1446.164
where: short stacking energy: -672.755
Base-Backbone interact. energy: -2.567
local terms energy: -735.449870
where:
bonds (distance) C4'-P energy: -126.836
bonds (distance) P-C4' energy: -156.234
flat angles C4'-P-C4' energy: -152.052
flat angles P-C4'-P energy: -109.265
tors. eta vs tors. theta energy: -191.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2009.752695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.752695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.752695 (E_RNA)
where:
Base-Base interactions energy: -1320.463
where: short stacking energy: -618.947
Base-Backbone interact. energy: -3.689
local terms energy: -685.600764
where:
bonds (distance) C4'-P energy: -118.767
bonds (distance) P-C4' energy: -143.024
flat angles C4'-P-C4' energy: -152.497
flat angles P-C4'-P energy: -99.943
tors. eta vs tors. theta energy: -171.369
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: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1756.661972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.661972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.661972 (E_RNA)
where:
Base-Base interactions energy: -1138.671
where: short stacking energy: -525.523
Base-Backbone interact. energy: -1.453
local terms energy: -616.537638
where:
bonds (distance) C4'-P energy: -127.550
bonds (distance) P-C4' energy: -144.846
flat angles C4'-P-C4' energy: -137.591
flat angles P-C4'-P energy: -75.554
tors. eta vs tors. theta energy: -130.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1407.188557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.188557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.188557 (E_RNA)
where:
Base-Base interactions energy: -898.477
where: short stacking energy: -403.939
Base-Backbone interact. energy: 3.569
local terms energy: -512.280048
where:
bonds (distance) C4'-P energy: -110.810
bonds (distance) P-C4' energy: -133.574
flat angles C4'-P-C4' energy: -125.289
flat angles P-C4'-P energy: -77.582
tors. eta vs tors. theta energy: -65.025
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: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1377.760458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.760458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.760458 (E_RNA)
where:
Base-Base interactions energy: -878.798
where: short stacking energy: -397.953
Base-Backbone interact. energy: -2.677
local terms energy: -496.285399
where:
bonds (distance) C4'-P energy: -114.035
bonds (distance) P-C4' energy: -120.283
flat angles C4'-P-C4' energy: -120.505
flat angles P-C4'-P energy: -56.756
tors. eta vs tors. theta energy: -84.706
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: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -986.693993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.693993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.693993 (E_RNA)
where:
Base-Base interactions energy: -577.967
where: short stacking energy: -303.137
Base-Backbone interact. energy: -1.531
local terms energy: -407.195828
where:
bonds (distance) C4'-P energy: -116.285
bonds (distance) P-C4' energy: -130.046
flat angles C4'-P-C4' energy: -94.078
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -590.071775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.071775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.071775 (E_RNA)
where:
Base-Base interactions energy: -225.123
where: short stacking energy: -168.307
Base-Backbone interact. energy: 5.306
local terms energy: -370.254752
where:
bonds (distance) C4'-P energy: -118.414
bonds (distance) P-C4' energy: -120.148
flat angles C4'-P-C4' energy: -103.853
flat angles P-C4'-P energy: -56.554
tors. eta vs tors. theta energy: 28.715
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: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2508.949602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.949602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.949602 (E_RNA)
where:
Base-Base interactions energy: -1730.643
where: short stacking energy: -739.154
Base-Backbone interact. energy: -3.497
local terms energy: -774.809892
where:
bonds (distance) C4'-P energy: -144.161
bonds (distance) P-C4' energy: -146.796
flat angles C4'-P-C4' energy: -158.854
flat angles P-C4'-P energy: -114.415
tors. eta vs tors. theta energy: -210.585
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: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2411.750919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.750919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.750919 (E_RNA)
where:
Base-Base interactions energy: -1664.636
where: short stacking energy: -710.696
Base-Backbone interact. energy: -4.216
local terms energy: -742.899248
where:
bonds (distance) C4'-P energy: -132.915
bonds (distance) P-C4' energy: -135.583
flat angles C4'-P-C4' energy: -168.112
flat angles P-C4'-P energy: -98.902
tors. eta vs tors. theta energy: -207.387
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: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2284.832910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.832910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.832910 (E_RNA)
where:
Base-Base interactions energy: -1592.558
where: short stacking energy: -658.830
Base-Backbone interact. energy: 0.912
local terms energy: -693.186918
where:
bonds (distance) C4'-P energy: -137.793
bonds (distance) P-C4' energy: -132.438
flat angles C4'-P-C4' energy: -141.470
flat angles P-C4'-P energy: -90.649
tors. eta vs tors. theta energy: -190.836
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: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2183.196260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.196260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.196260 (E_RNA)
where:
Base-Base interactions energy: -1472.363
where: short stacking energy: -671.149
Base-Backbone interact. energy: -4.327
local terms energy: -706.506197
where:
bonds (distance) C4'-P energy: -117.423
bonds (distance) P-C4' energy: -130.336
flat angles C4'-P-C4' energy: -143.642
flat angles P-C4'-P energy: -119.638
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: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2049.663680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.663680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.663680 (E_RNA)
where:
Base-Base interactions energy: -1379.390
where: short stacking energy: -618.202
Base-Backbone interact. energy: -2.119
local terms energy: -668.154885
where:
bonds (distance) C4'-P energy: -131.658
bonds (distance) P-C4' energy: -134.115
flat angles C4'-P-C4' energy: -137.062
flat angles P-C4'-P energy: -97.072
tors. eta vs tors. theta energy: -168.248
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: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1764.908206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.908206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.908206 (E_RNA)
where:
Base-Base interactions energy: -1163.816
where: short stacking energy: -544.614
Base-Backbone interact. energy: 1.654
local terms energy: -602.745667
where:
bonds (distance) C4'-P energy: -109.622
bonds (distance) P-C4' energy: -110.643
flat angles C4'-P-C4' energy: -143.347
flat angles P-C4'-P energy: -97.069
tors. eta vs tors. theta energy: -142.065
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: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1444.696764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.696764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.696764 (E_RNA)
where:
Base-Base interactions energy: -917.354
where: short stacking energy: -426.968
Base-Backbone interact. energy: 1.071
local terms energy: -528.414583
where:
bonds (distance) C4'-P energy: -122.112
bonds (distance) P-C4' energy: -121.000
flat angles C4'-P-C4' energy: -126.843
flat angles P-C4'-P energy: -71.927
tors. eta vs tors. theta energy: -86.533
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: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1349.574252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.574252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.574252 (E_RNA)
where:
Base-Base interactions energy: -841.849
where: short stacking energy: -385.300
Base-Backbone interact. energy: 7.210
local terms energy: -514.935141
where:
bonds (distance) C4'-P energy: -136.172
bonds (distance) P-C4' energy: -115.581
flat angles C4'-P-C4' energy: -117.912
flat angles P-C4'-P energy: -85.702
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -984.314502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.314502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.314502 (E_RNA)
where:
Base-Base interactions energy: -539.655
where: short stacking energy: -270.654
Base-Backbone interact. energy: -1.349
local terms energy: -443.310772
where:
bonds (distance) C4'-P energy: -109.984
bonds (distance) P-C4' energy: -127.411
flat angles C4'-P-C4' energy: -96.105
flat angles P-C4'-P energy: -76.887
tors. eta vs tors. theta energy: -32.923
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: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -559.249426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.249426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.249426 (E_RNA)
where:
Base-Base interactions energy: -198.244
where: short stacking energy: -148.295
Base-Backbone interact. energy: 5.197
local terms energy: -366.201847
where:
bonds (distance) C4'-P energy: -98.271
bonds (distance) P-C4' energy: -132.115
flat angles C4'-P-C4' energy: -91.287
flat angles P-C4'-P energy: -68.882
tors. eta vs tors. theta energy: 24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2456.226559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.226559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.226559 (E_RNA)
where:
Base-Base interactions energy: -1692.540
where: short stacking energy: -734.488
Base-Backbone interact. energy: 0.907
local terms energy: -764.593212
where:
bonds (distance) C4'-P energy: -151.345
bonds (distance) P-C4' energy: -137.483
flat angles C4'-P-C4' energy: -174.425
flat angles P-C4'-P energy: -100.636
tors. eta vs tors. theta energy: -200.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2426.681416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.681416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.681416 (E_RNA)
where:
Base-Base interactions energy: -1684.455
where: short stacking energy: -688.080
Base-Backbone interact. energy: -4.759
local terms energy: -737.467942
where:
bonds (distance) C4'-P energy: -140.347
bonds (distance) P-C4' energy: -142.121
flat angles C4'-P-C4' energy: -167.391
flat angles P-C4'-P energy: -96.121
tors. eta vs tors. theta energy: -191.487
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: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2326.634066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.634066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.634066 (E_RNA)
where:
Base-Base interactions energy: -1612.295
where: short stacking energy: -666.846
Base-Backbone interact. energy: -2.219
local terms energy: -712.120660
where:
bonds (distance) C4'-P energy: -140.406
bonds (distance) P-C4' energy: -146.860
flat angles C4'-P-C4' energy: -151.734
flat angles P-C4'-P energy: -96.939
tors. eta vs tors. theta energy: -176.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2130.851186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.851186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.851186 (E_RNA)
where:
Base-Base interactions energy: -1445.625
where: short stacking energy: -615.575
Base-Backbone interact. energy: -1.885
local terms energy: -683.341740
where:
bonds (distance) C4'-P energy: -142.430
bonds (distance) P-C4' energy: -140.550
flat angles C4'-P-C4' energy: -148.671
flat angles P-C4'-P energy: -96.632
tors. eta vs tors. theta energy: -155.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2019.482536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.482536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.482536 (E_RNA)
where:
Base-Base interactions energy: -1358.786
where: short stacking energy: -572.293
Base-Backbone interact. energy: -0.756
local terms energy: -659.940524
where:
bonds (distance) C4'-P energy: -133.483
bonds (distance) P-C4' energy: -139.810
flat angles C4'-P-C4' energy: -149.417
flat angles P-C4'-P energy: -91.331
tors. eta vs tors. theta energy: -145.901
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: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1748.577262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.577262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.577262 (E_RNA)
where:
Base-Base interactions energy: -1164.166
where: short stacking energy: -518.089
Base-Backbone interact. energy: 1.938
local terms energy: -586.349541
where:
bonds (distance) C4'-P energy: -116.596
bonds (distance) P-C4' energy: -149.211
flat angles C4'-P-C4' energy: -122.821
flat angles P-C4'-P energy: -78.328
tors. eta vs tors. theta energy: -119.394
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: 90
Temperature: 1.200000
Total energy: -1503.310285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.310285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.310285 (E_RNA)
where:
Base-Base interactions energy: -978.657
where: short stacking energy: -465.781
Base-Backbone interact. energy: -4.268
local terms energy: -520.384910
where:
bonds (distance) C4'-P energy: -114.608
bonds (distance) P-C4' energy: -111.496
flat angles C4'-P-C4' energy: -121.476
flat angles P-C4'-P energy: -76.780
tors. eta vs tors. theta energy: -96.025
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1362.171371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.171371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.171371 (E_RNA)
where:
Base-Base interactions energy: -857.413
where: short stacking energy: -398.384
Base-Backbone interact. energy: -0.608
local terms energy: -504.149889
where:
bonds (distance) C4'-P energy: -107.329
bonds (distance) P-C4' energy: -138.200
flat angles C4'-P-C4' energy: -113.572
flat angles P-C4'-P energy: -70.170
tors. eta vs tors. theta energy: -74.878
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: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -959.416655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.416655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.416655 (E_RNA)
where:
Base-Base interactions energy: -531.329
where: short stacking energy: -264.388
Base-Backbone interact. energy: 0.972
local terms energy: -429.058923
where:
bonds (distance) C4'-P energy: -123.049
bonds (distance) P-C4' energy: -128.169
flat angles C4'-P-C4' energy: -101.458
flat angles P-C4'-P energy: -64.127
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -561.055065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.055065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.055065 (E_RNA)
where:
Base-Base interactions energy: -202.176
where: short stacking energy: -162.157
Base-Backbone interact. energy: -1.042
local terms energy: -357.836510
where:
bonds (distance) C4'-P energy: -112.409
bonds (distance) P-C4' energy: -120.404
flat angles C4'-P-C4' energy: -115.728
flat angles P-C4'-P energy: -41.682
tors. eta vs tors. theta energy: 32.386
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: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2432.220571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.220571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.220571 (E_RNA)
where:
Base-Base interactions energy: -1654.932
where: short stacking energy: -690.853
Base-Backbone interact. energy: -6.603
local terms energy: -770.685588
where:
bonds (distance) C4'-P energy: -135.903
bonds (distance) P-C4' energy: -154.996
flat angles C4'-P-C4' energy: -171.231
flat angles P-C4'-P energy: -112.246
tors. eta vs tors. theta energy: -196.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2405.014158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.014158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.014158 (E_RNA)
where:
Base-Base interactions energy: -1651.650
where: short stacking energy: -678.652
Base-Backbone interact. energy: -6.324
local terms energy: -747.040044
where:
bonds (distance) C4'-P energy: -148.413
bonds (distance) P-C4' energy: -152.072
flat angles C4'-P-C4' energy: -155.472
flat angles P-C4'-P energy: -102.979
tors. eta vs tors. theta energy: -188.104
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: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2281.190927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.190927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.190927 (E_RNA)
where:
Base-Base interactions energy: -1571.667
where: short stacking energy: -626.086
Base-Backbone interact. energy: -4.808
local terms energy: -704.716292
where:
bonds (distance) C4'-P energy: -131.073
bonds (distance) P-C4' energy: -143.604
flat angles C4'-P-C4' energy: -150.434
flat angles P-C4'-P energy: -95.674
tors. eta vs tors. theta energy: -183.932
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: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2163.908806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.908806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.908806 (E_RNA)
where:
Base-Base interactions energy: -1479.393
where: short stacking energy: -626.591
Base-Backbone interact. energy: -1.676
local terms energy: -682.839836
where:
bonds (distance) C4'-P energy: -136.598
bonds (distance) P-C4' energy: -132.150
flat angles C4'-P-C4' energy: -165.026
flat angles P-C4'-P energy: -95.841
tors. eta vs tors. theta energy: -153.225
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: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2058.935337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.935337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.935337 (E_RNA)
where:
Base-Base interactions energy: -1381.763
where: short stacking energy: -634.810
Base-Backbone interact. energy: 0.262
local terms energy: -677.435012
where:
bonds (distance) C4'-P energy: -130.199
bonds (distance) P-C4' energy: -131.993
flat angles C4'-P-C4' energy: -153.509
flat angles P-C4'-P energy: -84.365
tors. eta vs tors. theta energy: -177.369
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: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1749.336793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.336793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.336793 (E_RNA)
where:
Base-Base interactions energy: -1143.981
where: short stacking energy: -538.671
Base-Backbone interact. energy: 2.472
local terms energy: -607.827628
where:
bonds (distance) C4'-P energy: -113.501
bonds (distance) P-C4' energy: -140.915
flat angles C4'-P-C4' energy: -143.086
flat angles P-C4'-P energy: -89.533
tors. eta vs tors. theta energy: -120.793
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: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1481.480968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.480968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.480968 (E_RNA)
where:
Base-Base interactions energy: -957.954
where: short stacking energy: -396.582
Base-Backbone interact. energy: 7.367
local terms energy: -530.894137
where:
bonds (distance) C4'-P energy: -126.193
bonds (distance) P-C4' energy: -129.172
flat angles C4'-P-C4' energy: -128.727
flat angles P-C4'-P energy: -76.172
tors. eta vs tors. theta energy: -70.630
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: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1320.339900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.339900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.339900 (E_RNA)
where:
Base-Base interactions energy: -841.949
where: short stacking energy: -411.078
Base-Backbone interact. energy: 3.891
local terms energy: -482.282388
where:
bonds (distance) C4'-P energy: -120.608
bonds (distance) P-C4' energy: -115.591
flat angles C4'-P-C4' energy: -120.379
flat angles P-C4'-P energy: -67.931
tors. eta vs tors. theta energy: -57.774
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: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -941.035773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.035773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.035773 (E_RNA)
where:
Base-Base interactions energy: -515.166
where: short stacking energy: -261.311
Base-Backbone interact. energy: 8.716
local terms energy: -434.585507
where:
bonds (distance) C4'-P energy: -128.847
bonds (distance) P-C4' energy: -127.062
flat angles C4'-P-C4' energy: -117.339
flat angles P-C4'-P energy: -44.566
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -551.560411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.560411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.560411 (E_RNA)
where:
Base-Base interactions energy: -163.684
where: short stacking energy: -136.539
Base-Backbone interact. energy: 0.065
local terms energy: -387.941478
where:
bonds (distance) C4'-P energy: -130.331
bonds (distance) P-C4' energy: -142.348
flat angles C4'-P-C4' energy: -80.408
flat angles P-C4'-P energy: -63.601
tors. eta vs tors. theta energy: 28.747
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: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2450.023169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.023169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.023169 (E_RNA)
where:
Base-Base interactions energy: -1683.596
where: short stacking energy: -692.393
Base-Backbone interact. energy: -4.471
local terms energy: -761.955829
where:
bonds (distance) C4'-P energy: -136.883
bonds (distance) P-C4' energy: -151.211
flat angles C4'-P-C4' energy: -160.343
flat angles P-C4'-P energy: -115.918
tors. eta vs tors. theta energy: -197.601
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: 92
Temperature: 0.950000
Total energy: -2416.292276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.292276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.292276 (E_RNA)
where:
Base-Base interactions energy: -1661.307
where: short stacking energy: -688.168
Base-Backbone interact. energy: -0.393
local terms energy: -754.592370
where:
bonds (distance) C4'-P energy: -144.008
bonds (distance) P-C4' energy: -143.315
flat angles C4'-P-C4' energy: -160.829
flat angles P-C4'-P energy: -116.615
tors. eta vs tors. theta energy: -189.825
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: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2306.854879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.854879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.854879 (E_RNA)
where:
Base-Base interactions energy: -1554.374
where: short stacking energy: -657.451
Base-Backbone interact. energy: -2.508
local terms energy: -749.973637
where:
bonds (distance) C4'-P energy: -145.608
bonds (distance) P-C4' energy: -150.779
flat angles C4'-P-C4' energy: -165.448
flat angles P-C4'-P energy: -98.477
tors. eta vs tors. theta energy: -189.662
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: 92
Temperature: 1.050000
Total energy: -2119.134585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.134585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.134585 (E_RNA)
where:
Base-Base interactions energy: -1435.590
where: short stacking energy: -625.833
Base-Backbone interact. energy: -0.737
local terms energy: -682.807578
where:
bonds (distance) C4'-P energy: -107.139
bonds (distance) P-C4' energy: -156.710
flat angles C4'-P-C4' energy: -152.686
flat angles P-C4'-P energy: -91.868
tors. eta vs tors. theta energy: -174.405
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: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2025.742497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.742497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.742497 (E_RNA)
where:
Base-Base interactions energy: -1326.761
where: short stacking energy: -590.179
Base-Backbone interact. energy: -4.051
local terms energy: -694.930247
where:
bonds (distance) C4'-P energy: -132.828
bonds (distance) P-C4' energy: -137.995
flat angles C4'-P-C4' energy: -150.294
flat angles P-C4'-P energy: -100.991
tors. eta vs tors. theta energy: -172.822
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: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1712.872347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.872347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.872347 (E_RNA)
where:
Base-Base interactions energy: -1108.307
where: short stacking energy: -507.342
Base-Backbone interact. energy: 0.116
local terms energy: -604.681574
where:
bonds (distance) C4'-P energy: -145.084
bonds (distance) P-C4' energy: -127.904
flat angles C4'-P-C4' energy: -122.562
flat angles P-C4'-P energy: -80.619
tors. eta vs tors. theta energy: -128.513
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: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1511.849368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.849368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.849368 (E_RNA)
where:
Base-Base interactions energy: -951.892
where: short stacking energy: -420.280
Base-Backbone interact. energy: -1.698
local terms energy: -558.258617
where:
bonds (distance) C4'-P energy: -114.819
bonds (distance) P-C4' energy: -136.473
flat angles C4'-P-C4' energy: -127.576
flat angles P-C4'-P energy: -96.653
tors. eta vs tors. theta energy: -82.737
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: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1284.810994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.810994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.810994 (E_RNA)
where:
Base-Base interactions energy: -801.207
where: short stacking energy: -365.758
Base-Backbone interact. energy: 2.701
local terms energy: -486.304957
where:
bonds (distance) C4'-P energy: -128.533
bonds (distance) P-C4' energy: -129.707
flat angles C4'-P-C4' energy: -118.701
flat angles P-C4'-P energy: -79.006
tors. eta vs tors. theta energy: -30.358
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: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -942.658385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.658385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.658385 (E_RNA)
where:
Base-Base interactions energy: -504.995
where: short stacking energy: -255.147
Base-Backbone interact. energy: 0.038
local terms energy: -437.701572
where:
bonds (distance) C4'-P energy: -142.884
bonds (distance) P-C4' energy: -109.844
flat angles C4'-P-C4' energy: -99.655
flat angles P-C4'-P energy: -58.147
tors. eta vs tors. theta energy: -27.172
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: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -559.610607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.610607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.610607 (E_RNA)
where:
Base-Base interactions energy: -241.352
where: short stacking energy: -182.283
Base-Backbone interact. energy: -1.778
local terms energy: -316.480729
where:
bonds (distance) C4'-P energy: -103.710
bonds (distance) P-C4' energy: -101.825
flat angles C4'-P-C4' energy: -95.807
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: 30.119
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: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2437.638156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.638156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.638156 (E_RNA)
where:
Base-Base interactions energy: -1683.809
where: short stacking energy: -697.164
Base-Backbone interact. energy: -1.529
local terms energy: -752.299860
where:
bonds (distance) C4'-P energy: -154.642
bonds (distance) P-C4' energy: -150.070
flat angles C4'-P-C4' energy: -155.943
flat angles P-C4'-P energy: -100.808
tors. eta vs tors. theta energy: -190.838
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2456.578278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.578278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.578278 (E_RNA)
where:
Base-Base interactions energy: -1716.492
where: short stacking energy: -719.881
Base-Backbone interact. energy: -4.404
local terms energy: -735.682064
where:
bonds (distance) C4'-P energy: -147.038
bonds (distance) P-C4' energy: -141.345
flat angles C4'-P-C4' energy: -150.390
flat angles P-C4'-P energy: -94.876
tors. eta vs tors. theta energy: -202.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2280.580116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.580116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.580116 (E_RNA)
where:
Base-Base interactions energy: -1550.377
where: short stacking energy: -664.134
Base-Backbone interact. energy: -4.588
local terms energy: -725.615651
where:
bonds (distance) C4'-P energy: -140.232
bonds (distance) P-C4' energy: -143.937
flat angles C4'-P-C4' energy: -156.663
flat angles P-C4'-P energy: -108.065
tors. eta vs tors. theta energy: -176.718
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: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2099.260808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.260808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.260808 (E_RNA)
where:
Base-Base interactions energy: -1390.205
where: short stacking energy: -637.853
Base-Backbone interact. energy: -3.245
local terms energy: -705.811431
where:
bonds (distance) C4'-P energy: -129.215
bonds (distance) P-C4' energy: -150.547
flat angles C4'-P-C4' energy: -137.607
flat angles P-C4'-P energy: -103.059
tors. eta vs tors. theta energy: -185.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2035.198192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.198192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.198192 (E_RNA)
where:
Base-Base interactions energy: -1367.320
where: short stacking energy: -610.533
Base-Backbone interact. energy: -4.239
local terms energy: -663.638985
where:
bonds (distance) C4'-P energy: -127.864
bonds (distance) P-C4' energy: -136.343
flat angles C4'-P-C4' energy: -147.782
flat angles P-C4'-P energy: -88.138
tors. eta vs tors. theta energy: -163.512
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: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1729.520621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.520621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.520621 (E_RNA)
where:
Base-Base interactions energy: -1113.020
where: short stacking energy: -529.995
Base-Backbone interact. energy: -3.113
local terms energy: -613.388078
where:
bonds (distance) C4'-P energy: -128.516
bonds (distance) P-C4' energy: -123.411
flat angles C4'-P-C4' energy: -144.845
flat angles P-C4'-P energy: -84.050
tors. eta vs tors. theta energy: -132.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1523.342117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.342117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.342117 (E_RNA)
where:
Base-Base interactions energy: -1006.777
where: short stacking energy: -446.781
Base-Backbone interact. energy: -1.993
local terms energy: -514.571390
where:
bonds (distance) C4'-P energy: -118.686
bonds (distance) P-C4' energy: -111.710
flat angles C4'-P-C4' energy: -132.322
flat angles P-C4'-P energy: -60.055
tors. eta vs tors. theta energy: -91.799
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: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1244.256767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.256767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.256767 (E_RNA)
where:
Base-Base interactions energy: -758.662
where: short stacking energy: -377.639
Base-Backbone interact. energy: -2.786
local terms energy: -482.809090
where:
bonds (distance) C4'-P energy: -98.638
bonds (distance) P-C4' energy: -129.972
flat angles C4'-P-C4' energy: -122.654
flat angles P-C4'-P energy: -66.382
tors. eta vs tors. theta energy: -65.163
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: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -936.159427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.159427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.159427 (E_RNA)
where:
Base-Base interactions energy: -496.159
where: short stacking energy: -268.340
Base-Backbone interact. energy: 4.108
local terms energy: -444.109382
where:
bonds (distance) C4'-P energy: -110.707
bonds (distance) P-C4' energy: -139.540
flat angles C4'-P-C4' energy: -116.527
flat angles P-C4'-P energy: -51.611
tors. eta vs tors. theta energy: -25.725
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: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -551.246605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.246605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.246605 (E_RNA)
where:
Base-Base interactions energy: -199.946
where: short stacking energy: -161.768
Base-Backbone interact. energy: -2.463
local terms energy: -348.837829
where:
bonds (distance) C4'-P energy: -111.899
bonds (distance) P-C4' energy: -121.118
flat angles C4'-P-C4' energy: -92.156
flat angles P-C4'-P energy: -40.845
tors. eta vs tors. theta energy: 17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2513.556211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.556211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.556211 (E_RNA)
where:
Base-Base interactions energy: -1764.034
where: short stacking energy: -722.592
Base-Backbone interact. energy: -5.226
local terms energy: -744.296223
where:
bonds (distance) C4'-P energy: -148.215
bonds (distance) P-C4' energy: -141.828
flat angles C4'-P-C4' energy: -152.424
flat angles P-C4'-P energy: -103.159
tors. eta vs tors. theta energy: -198.671
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: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2406.856952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.856952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.856952 (E_RNA)
where:
Base-Base interactions energy: -1662.241
where: short stacking energy: -695.953
Base-Backbone interact. energy: 1.964
local terms energy: -746.579175
where:
bonds (distance) C4'-P energy: -141.234
bonds (distance) P-C4' energy: -130.874
flat angles C4'-P-C4' energy: -165.050
flat angles P-C4'-P energy: -117.017
tors. eta vs tors. theta energy: -192.405
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: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2265.751567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.751567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.751567 (E_RNA)
where:
Base-Base interactions energy: -1553.688
where: short stacking energy: -643.199
Base-Backbone interact. energy: 0.034
local terms energy: -712.097504
where:
bonds (distance) C4'-P energy: -134.604
bonds (distance) P-C4' energy: -141.729
flat angles C4'-P-C4' energy: -158.481
flat angles P-C4'-P energy: -91.965
tors. eta vs tors. theta energy: -185.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2065.536930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.536930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.536930 (E_RNA)
where:
Base-Base interactions energy: -1387.928
where: short stacking energy: -615.116
Base-Backbone interact. energy: -2.623
local terms energy: -674.985770
where:
bonds (distance) C4'-P energy: -133.152
bonds (distance) P-C4' energy: -118.575
flat angles C4'-P-C4' energy: -153.446
flat angles P-C4'-P energy: -106.211
tors. eta vs tors. theta energy: -163.603
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: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2080.158429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.158429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.158429 (E_RNA)
where:
Base-Base interactions energy: -1422.087
where: short stacking energy: -650.901
Base-Backbone interact. energy: 2.045
local terms energy: -660.116752
where:
bonds (distance) C4'-P energy: -129.647
bonds (distance) P-C4' energy: -112.947
flat angles C4'-P-C4' energy: -159.601
flat angles P-C4'-P energy: -82.974
tors. eta vs tors. theta energy: -174.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1739.939249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.939249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.939249 (E_RNA)
where:
Base-Base interactions energy: -1156.464
where: short stacking energy: -549.310
Base-Backbone interact. energy: -2.757
local terms energy: -580.718510
where:
bonds (distance) C4'-P energy: -112.618
bonds (distance) P-C4' energy: -120.063
flat angles C4'-P-C4' energy: -142.427
flat angles P-C4'-P energy: -74.564
tors. eta vs tors. theta energy: -131.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1559.773134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.773134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.773134 (E_RNA)
where:
Base-Base interactions energy: -1008.959
where: short stacking energy: -456.854
Base-Backbone interact. energy: -1.843
local terms energy: -548.970823
where:
bonds (distance) C4'-P energy: -103.848
bonds (distance) P-C4' energy: -121.966
flat angles C4'-P-C4' energy: -134.274
flat angles P-C4'-P energy: -95.121
tors. eta vs tors. theta energy: -93.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1292.988255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.988255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.988255 (E_RNA)
where:
Base-Base interactions energy: -837.276
where: short stacking energy: -381.132
Base-Backbone interact. energy: -3.667
local terms energy: -452.045488
where:
bonds (distance) C4'-P energy: -92.564
bonds (distance) P-C4' energy: -114.931
flat angles C4'-P-C4' energy: -127.421
flat angles P-C4'-P energy: -70.055
tors. eta vs tors. theta energy: -47.075
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: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -974.670108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.670108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.670108 (E_RNA)
where:
Base-Base interactions energy: -538.586
where: short stacking energy: -246.449
Base-Backbone interact. energy: -1.075
local terms energy: -435.009008
where:
bonds (distance) C4'-P energy: -97.039
bonds (distance) P-C4' energy: -132.781
flat angles C4'-P-C4' energy: -96.395
flat angles P-C4'-P energy: -73.422
tors. eta vs tors. theta energy: -35.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -572.376170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.376170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.376170 (E_RNA)
where:
Base-Base interactions energy: -205.951
where: short stacking energy: -125.157
Base-Backbone interact. energy: -0.543
local terms energy: -365.882416
where:
bonds (distance) C4'-P energy: -89.747
bonds (distance) P-C4' energy: -119.163
flat angles C4'-P-C4' energy: -107.441
flat angles P-C4'-P energy: -70.384
tors. eta vs tors. theta energy: 20.852
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: 1, replica: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2529.399596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.399596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.399596 (E_RNA)
where:
Base-Base interactions energy: -1741.843
where: short stacking energy: -722.777
Base-Backbone interact. energy: -4.983
local terms energy: -782.573480
where:
bonds (distance) C4'-P energy: -157.426
bonds (distance) P-C4' energy: -160.932
flat angles C4'-P-C4' energy: -154.694
flat angles P-C4'-P energy: -110.517
tors. eta vs tors. theta energy: -199.004
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: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2377.225621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.225621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.225621 (E_RNA)
where:
Base-Base interactions energy: -1610.163
where: short stacking energy: -663.865
Base-Backbone interact. energy: -1.508
local terms energy: -765.554715
where:
bonds (distance) C4'-P energy: -148.217
bonds (distance) P-C4' energy: -160.131
flat angles C4'-P-C4' energy: -153.043
flat angles P-C4'-P energy: -108.324
tors. eta vs tors. theta energy: -195.839
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: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2292.051427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.051427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.051427 (E_RNA)
where:
Base-Base interactions energy: -1581.264
where: short stacking energy: -654.105
Base-Backbone interact. energy: -4.964
local terms energy: -705.823518
where:
bonds (distance) C4'-P energy: -137.970
bonds (distance) P-C4' energy: -135.873
flat angles C4'-P-C4' energy: -150.591
flat angles P-C4'-P energy: -96.351
tors. eta vs tors. theta energy: -185.039
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: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2092.846662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.846662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.846662 (E_RNA)
where:
Base-Base interactions energy: -1408.027
where: short stacking energy: -623.955
Base-Backbone interact. energy: -0.860
local terms energy: -683.959123
where:
bonds (distance) C4'-P energy: -119.887
bonds (distance) P-C4' energy: -135.199
flat angles C4'-P-C4' energy: -156.413
flat angles P-C4'-P energy: -100.872
tors. eta vs tors. theta energy: -171.588
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: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2083.520740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.520740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.520740 (E_RNA)
where:
Base-Base interactions energy: -1427.796
where: short stacking energy: -635.760
Base-Backbone interact. energy: -1.276
local terms energy: -654.448474
where:
bonds (distance) C4'-P energy: -133.851
bonds (distance) P-C4' energy: -127.678
flat angles C4'-P-C4' energy: -142.244
flat angles P-C4'-P energy: -81.552
tors. eta vs tors. theta energy: -169.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1752.436544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.436544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.436544 (E_RNA)
where:
Base-Base interactions energy: -1117.567
where: short stacking energy: -557.785
Base-Backbone interact. energy: -1.020
local terms energy: -633.850204
where:
bonds (distance) C4'-P energy: -107.677
bonds (distance) P-C4' energy: -123.005
flat angles C4'-P-C4' energy: -150.005
flat angles P-C4'-P energy: -101.528
tors. eta vs tors. theta energy: -151.636
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: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1475.443993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.443993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.443993 (E_RNA)
where:
Base-Base interactions energy: -960.081
where: short stacking energy: -432.110
Base-Backbone interact. energy: 2.952
local terms energy: -518.314477
where:
bonds (distance) C4'-P energy: -106.893
bonds (distance) P-C4' energy: -119.393
flat angles C4'-P-C4' energy: -123.365
flat angles P-C4'-P energy: -81.955
tors. eta vs tors. theta energy: -86.708
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: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1195.485384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.485384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.485384 (E_RNA)
where:
Base-Base interactions energy: -699.596
where: short stacking energy: -348.298
Base-Backbone interact. energy: 7.183
local terms energy: -503.072196
where:
bonds (distance) C4'-P energy: -115.798
bonds (distance) P-C4' energy: -135.707
flat angles C4'-P-C4' energy: -118.296
flat angles P-C4'-P energy: -81.966
tors. eta vs tors. theta energy: -51.306
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: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1014.832534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.832534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.832534 (E_RNA)
where:
Base-Base interactions energy: -560.045
where: short stacking energy: -279.087
Base-Backbone interact. energy: 2.614
local terms energy: -457.401231
where:
bonds (distance) C4'-P energy: -125.227
bonds (distance) P-C4' energy: -119.327
flat angles C4'-P-C4' energy: -119.452
flat angles P-C4'-P energy: -68.793
tors. eta vs tors. theta energy: -24.602
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: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -560.196967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.196967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.196967 (E_RNA)
where:
Base-Base interactions energy: -179.385
where: short stacking energy: -168.517
Base-Backbone interact. energy: -3.188
local terms energy: -377.624170
where:
bonds (distance) C4'-P energy: -111.734
bonds (distance) P-C4' energy: -125.259
flat angles C4'-P-C4' energy: -94.372
flat angles P-C4'-P energy: -63.879
tors. eta vs tors. theta energy: 17.620
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: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2504.725157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.725157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.725157 (E_RNA)
where:
Base-Base interactions energy: -1740.216
where: short stacking energy: -713.164
Base-Backbone interact. energy: -5.141
local terms energy: -759.368887
where:
bonds (distance) C4'-P energy: -141.705
bonds (distance) P-C4' energy: -151.091
flat angles C4'-P-C4' energy: -152.999
flat angles P-C4'-P energy: -111.526
tors. eta vs tors. theta energy: -202.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2400.253693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.253693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.253693 (E_RNA)
where:
Base-Base interactions energy: -1630.881
where: short stacking energy: -690.793
Base-Backbone interact. energy: -2.174
local terms energy: -767.198917
where:
bonds (distance) C4'-P energy: -152.861
bonds (distance) P-C4' energy: -137.185
flat angles C4'-P-C4' energy: -153.191
flat angles P-C4'-P energy: -120.160
tors. eta vs tors. theta energy: -203.801
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: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2252.845991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.845991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.845991 (E_RNA)
where:
Base-Base interactions energy: -1546.857
where: short stacking energy: -676.877
Base-Backbone interact. energy: 3.248
local terms energy: -709.237071
where:
bonds (distance) C4'-P energy: -133.145
bonds (distance) P-C4' energy: -127.814
flat angles C4'-P-C4' energy: -143.603
flat angles P-C4'-P energy: -94.183
tors. eta vs tors. theta energy: -210.492
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: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2058.024829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.024829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.024829 (E_RNA)
where:
Base-Base interactions energy: -1355.242
where: short stacking energy: -638.214
Base-Backbone interact. energy: 0.871
local terms energy: -703.654077
where:
bonds (distance) C4'-P energy: -127.966
bonds (distance) P-C4' energy: -145.021
flat angles C4'-P-C4' energy: -161.253
flat angles P-C4'-P energy: -96.299
tors. eta vs tors. theta energy: -173.116
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: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2075.334381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.334381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.334381 (E_RNA)
where:
Base-Base interactions energy: -1404.384
where: short stacking energy: -597.289
Base-Backbone interact. energy: 3.468
local terms energy: -674.419213
where:
bonds (distance) C4'-P energy: -126.616
bonds (distance) P-C4' energy: -123.111
flat angles C4'-P-C4' energy: -148.185
flat angles P-C4'-P energy: -107.200
tors. eta vs tors. theta energy: -169.307
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: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1773.275444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.275444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.275444 (E_RNA)
where:
Base-Base interactions energy: -1148.366
where: short stacking energy: -532.254
Base-Backbone interact. energy: 0.990
local terms energy: -625.900294
where:
bonds (distance) C4'-P energy: -122.656
bonds (distance) P-C4' energy: -145.543
flat angles C4'-P-C4' energy: -120.107
flat angles P-C4'-P energy: -94.494
tors. eta vs tors. theta energy: -143.099
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1560.307451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.307451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.307451 (E_RNA)
where:
Base-Base interactions energy: -997.184
where: short stacking energy: -439.927
Base-Backbone interact. energy: -2.815
local terms energy: -560.308159
where:
bonds (distance) C4'-P energy: -138.890
bonds (distance) P-C4' energy: -136.678
flat angles C4'-P-C4' energy: -108.879
flat angles P-C4'-P energy: -91.084
tors. eta vs tors. theta energy: -84.776
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: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1203.614457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.614457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.614457 (E_RNA)
where:
Base-Base interactions energy: -684.203
where: short stacking energy: -331.215
Base-Backbone interact. energy: 3.906
local terms energy: -523.317171
where:
bonds (distance) C4'-P energy: -132.823
bonds (distance) P-C4' energy: -136.938
flat angles C4'-P-C4' energy: -135.384
flat angles P-C4'-P energy: -65.250
tors. eta vs tors. theta energy: -52.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1019.341886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.341886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.341886 (E_RNA)
where:
Base-Base interactions energy: -605.469
where: short stacking energy: -319.181
Base-Backbone interact. energy: 0.333
local terms energy: -414.205145
where:
bonds (distance) C4'-P energy: -101.435
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -109.000
flat angles P-C4'-P energy: -63.881
tors. eta vs tors. theta energy: -31.870
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: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -590.939595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.939595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.939595 (E_RNA)
where:
Base-Base interactions energy: -245.408
where: short stacking energy: -201.399
Base-Backbone interact. energy: 7.747
local terms energy: -353.278800
where:
bonds (distance) C4'-P energy: -102.449
bonds (distance) P-C4' energy: -124.898
flat angles C4'-P-C4' energy: -97.000
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: 12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2480.881690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.881690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.881690 (E_RNA)
where:
Base-Base interactions energy: -1712.180
where: short stacking energy: -720.490
Base-Backbone interact. energy: -2.317
local terms energy: -766.384536
where:
bonds (distance) C4'-P energy: -152.488
bonds (distance) P-C4' energy: -148.249
flat angles C4'-P-C4' energy: -156.398
flat angles P-C4'-P energy: -108.824
tors. eta vs tors. theta energy: -200.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2418.397292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.397292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.397292 (E_RNA)
where:
Base-Base interactions energy: -1647.560
where: short stacking energy: -709.399
Base-Backbone interact. energy: -2.082
local terms energy: -768.754965
where:
bonds (distance) C4'-P energy: -148.685
bonds (distance) P-C4' energy: -138.704
flat angles C4'-P-C4' energy: -163.923
flat angles P-C4'-P energy: -120.033
tors. eta vs tors. theta energy: -197.410
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: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2244.913492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.913492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.913492 (E_RNA)
where:
Base-Base interactions energy: -1530.829
where: short stacking energy: -675.852
Base-Backbone interact. energy: -0.640
local terms energy: -713.444166
where:
bonds (distance) C4'-P energy: -122.326
bonds (distance) P-C4' energy: -133.079
flat angles C4'-P-C4' energy: -162.248
flat angles P-C4'-P energy: -102.157
tors. eta vs tors. theta energy: -193.634
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: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2068.677058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.677058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.677058 (E_RNA)
where:
Base-Base interactions energy: -1379.624
where: short stacking energy: -615.368
Base-Backbone interact. energy: -1.362
local terms energy: -687.691300
where:
bonds (distance) C4'-P energy: -115.873
bonds (distance) P-C4' energy: -141.664
flat angles C4'-P-C4' energy: -147.683
flat angles P-C4'-P energy: -109.921
tors. eta vs tors. theta energy: -172.550
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2076.793587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.793587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.793587 (E_RNA)
where:
Base-Base interactions energy: -1405.744
where: short stacking energy: -648.718
Base-Backbone interact. energy: -0.616
local terms energy: -670.433575
where:
bonds (distance) C4'-P energy: -123.206
bonds (distance) P-C4' energy: -112.378
flat angles C4'-P-C4' energy: -145.638
flat angles P-C4'-P energy: -98.837
tors. eta vs tors. theta energy: -190.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1786.648347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.648347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.648347 (E_RNA)
where:
Base-Base interactions energy: -1175.777
where: short stacking energy: -526.133
Base-Backbone interact. energy: -2.773
local terms energy: -608.098269
where:
bonds (distance) C4'-P energy: -126.757
bonds (distance) P-C4' energy: -138.156
flat angles C4'-P-C4' energy: -133.420
flat angles P-C4'-P energy: -80.691
tors. eta vs tors. theta energy: -129.076
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: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1583.114740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.114740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.114740 (E_RNA)
where:
Base-Base interactions energy: -1040.188
where: short stacking energy: -472.891
Base-Backbone interact. energy: -1.397
local terms energy: -541.529456
where:
bonds (distance) C4'-P energy: -102.892
bonds (distance) P-C4' energy: -134.669
flat angles C4'-P-C4' energy: -128.720
flat angles P-C4'-P energy: -67.964
tors. eta vs tors. theta energy: -107.283
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: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1218.863502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.863502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.863502 (E_RNA)
where:
Base-Base interactions energy: -712.134
where: short stacking energy: -341.317
Base-Backbone interact. energy: 1.780
local terms energy: -508.509465
where:
bonds (distance) C4'-P energy: -121.662
bonds (distance) P-C4' energy: -133.512
flat angles C4'-P-C4' energy: -117.862
flat angles P-C4'-P energy: -85.774
tors. eta vs tors. theta energy: -49.699
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: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -961.405783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.405783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.405783 (E_RNA)
where:
Base-Base interactions energy: -537.277
where: short stacking energy: -272.683
Base-Backbone interact. energy: 0.475
local terms energy: -424.603742
where:
bonds (distance) C4'-P energy: -104.958
bonds (distance) P-C4' energy: -120.370
flat angles C4'-P-C4' energy: -118.452
flat angles P-C4'-P energy: -60.126
tors. eta vs tors. theta energy: -20.698
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: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -535.591725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.591725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.591725 (E_RNA)
where:
Base-Base interactions energy: -182.765
where: short stacking energy: -165.018
Base-Backbone interact. energy: 2.429
local terms energy: -355.255783
where:
bonds (distance) C4'-P energy: -117.624
bonds (distance) P-C4' energy: -116.585
flat angles C4'-P-C4' energy: -91.689
flat angles P-C4'-P energy: -51.299
tors. eta vs tors. theta energy: 21.941
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: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2486.276556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.276556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.276556 (E_RNA)
where:
Base-Base interactions energy: -1713.134
where: short stacking energy: -724.990
Base-Backbone interact. energy: -4.002
local terms energy: -769.141060
where:
bonds (distance) C4'-P energy: -149.845
bonds (distance) P-C4' energy: -150.642
flat angles C4'-P-C4' energy: -162.788
flat angles P-C4'-P energy: -105.724
tors. eta vs tors. theta energy: -200.143
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: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2410.354534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.354534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.354534 (E_RNA)
where:
Base-Base interactions energy: -1664.094
where: short stacking energy: -721.848
Base-Backbone interact. energy: -2.615
local terms energy: -743.644781
where:
bonds (distance) C4'-P energy: -136.301
bonds (distance) P-C4' energy: -136.087
flat angles C4'-P-C4' energy: -168.309
flat angles P-C4'-P energy: -101.005
tors. eta vs tors. theta energy: -201.942
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: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2275.740174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.740174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.740174 (E_RNA)
where:
Base-Base interactions energy: -1550.404
where: short stacking energy: -651.925
Base-Backbone interact. energy: 0.539
local terms energy: -725.875159
where:
bonds (distance) C4'-P energy: -139.668
bonds (distance) P-C4' energy: -155.510
flat angles C4'-P-C4' energy: -146.096
flat angles P-C4'-P energy: -101.628
tors. eta vs tors. theta energy: -182.973
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: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2110.499755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.499755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.499755 (E_RNA)
where:
Base-Base interactions energy: -1411.364
where: short stacking energy: -636.864
Base-Backbone interact. energy: -2.858
local terms energy: -696.277389
where:
bonds (distance) C4'-P energy: -139.376
bonds (distance) P-C4' energy: -135.312
flat angles C4'-P-C4' energy: -149.750
flat angles P-C4'-P energy: -103.655
tors. eta vs tors. theta energy: -168.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2063.857029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.857029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.857029 (E_RNA)
where:
Base-Base interactions energy: -1383.102
where: short stacking energy: -634.541
Base-Backbone interact. energy: 0.283
local terms energy: -681.037605
where:
bonds (distance) C4'-P energy: -134.091
bonds (distance) P-C4' energy: -137.549
flat angles C4'-P-C4' energy: -150.268
flat angles P-C4'-P energy: -87.333
tors. eta vs tors. theta energy: -171.797
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: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1805.868639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.868639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.868639 (E_RNA)
where:
Base-Base interactions energy: -1186.698
where: short stacking energy: -515.469
Base-Backbone interact. energy: -2.186
local terms energy: -616.984913
where:
bonds (distance) C4'-P energy: -127.100
bonds (distance) P-C4' energy: -135.277
flat angles C4'-P-C4' energy: -144.829
flat angles P-C4'-P energy: -96.857
tors. eta vs tors. theta energy: -112.922
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: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1596.376941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.376941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.376941 (E_RNA)
where:
Base-Base interactions energy: -1015.203
where: short stacking energy: -463.404
Base-Backbone interact. energy: 1.669
local terms energy: -582.842861
where:
bonds (distance) C4'-P energy: -115.448
bonds (distance) P-C4' energy: -145.885
flat angles C4'-P-C4' energy: -124.863
flat angles P-C4'-P energy: -98.944
tors. eta vs tors. theta energy: -97.704
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: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1207.824499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.824499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.824499 (E_RNA)
where:
Base-Base interactions energy: -717.917
where: short stacking energy: -367.474
Base-Backbone interact. energy: 0.689
local terms energy: -490.595746
where:
bonds (distance) C4'-P energy: -110.572
bonds (distance) P-C4' energy: -131.821
flat angles C4'-P-C4' energy: -119.269
flat angles P-C4'-P energy: -73.151
tors. eta vs tors. theta energy: -55.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -993.129110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.129110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.129110 (E_RNA)
where:
Base-Base interactions energy: -529.198
where: short stacking energy: -264.891
Base-Backbone interact. energy: 0.601
local terms energy: -464.531835
where:
bonds (distance) C4'-P energy: -125.382
bonds (distance) P-C4' energy: -130.270
flat angles C4'-P-C4' energy: -121.740
flat angles P-C4'-P energy: -66.297
tors. eta vs tors. theta energy: -20.843
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: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -562.916691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.916691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.916691 (E_RNA)
where:
Base-Base interactions energy: -218.791
where: short stacking energy: -151.615
Base-Backbone interact. energy: 4.497
local terms energy: -348.623325
where:
bonds (distance) C4'-P energy: -113.606
bonds (distance) P-C4' energy: -119.730
flat angles C4'-P-C4' energy: -85.884
flat angles P-C4'-P energy: -59.924
tors. eta vs tors. theta energy: 30.521
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: 99
Temperature: 0.900000
Total energy: -2499.916788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.916788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.916788 (E_RNA)
where:
Base-Base interactions energy: -1728.550
where: short stacking energy: -700.314
Base-Backbone interact. energy: -6.132
local terms energy: -765.234352
where:
bonds (distance) C4'-P energy: -151.190
bonds (distance) P-C4' energy: -153.377
flat angles C4'-P-C4' energy: -162.905
flat angles P-C4'-P energy: -100.136
tors. eta vs tors. theta energy: -197.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2371.122805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.122805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.122805 (E_RNA)
where:
Base-Base interactions energy: -1664.838
where: short stacking energy: -714.331
Base-Backbone interact. energy: -2.141
local terms energy: -704.143388
where:
bonds (distance) C4'-P energy: -112.769
bonds (distance) P-C4' energy: -131.615
flat angles C4'-P-C4' energy: -161.582
flat angles P-C4'-P energy: -94.740
tors. eta vs tors. theta energy: -203.438
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: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2272.979305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.979305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.979305 (E_RNA)
where:
Base-Base interactions energy: -1555.024
where: short stacking energy: -686.827
Base-Backbone interact. energy: -4.059
local terms energy: -713.896335
where:
bonds (distance) C4'-P energy: -142.164
bonds (distance) P-C4' energy: -138.568
flat angles C4'-P-C4' energy: -155.929
flat angles P-C4'-P energy: -92.258
tors. eta vs tors. theta energy: -184.977
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: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2084.921400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.921400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.921400 (E_RNA)
where:
Base-Base interactions energy: -1386.666
where: short stacking energy: -647.493
Base-Backbone interact. energy: -1.277
local terms energy: -696.978861
where:
bonds (distance) C4'-P energy: -134.200
bonds (distance) P-C4' energy: -121.700
flat angles C4'-P-C4' energy: -155.095
flat angles P-C4'-P energy: -115.152
tors. eta vs tors. theta energy: -170.832
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: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2066.774996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.774996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.774996 (E_RNA)
where:
Base-Base interactions energy: -1388.956
where: short stacking energy: -630.046
Base-Backbone interact. energy: -3.075
local terms energy: -674.744056
where:
bonds (distance) C4'-P energy: -121.888
bonds (distance) P-C4' energy: -154.339
flat angles C4'-P-C4' energy: -136.759
flat angles P-C4'-P energy: -98.246
tors. eta vs tors. theta energy: -163.512
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: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1893.061185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.061185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.061185 (E_RNA)
where:
Base-Base interactions energy: -1267.053
where: short stacking energy: -556.470
Base-Backbone interact. energy: -0.654
local terms energy: -625.354110
where:
bonds (distance) C4'-P energy: -138.381
bonds (distance) P-C4' energy: -111.725
flat angles C4'-P-C4' energy: -135.230
flat angles P-C4'-P energy: -97.154
tors. eta vs tors. theta energy: -142.865
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: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1556.873808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.873808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.873808 (E_RNA)
where:
Base-Base interactions energy: -985.891
where: short stacking energy: -477.736
Base-Backbone interact. energy: -3.163
local terms energy: -567.819849
where:
bonds (distance) C4'-P energy: -106.792
bonds (distance) P-C4' energy: -127.723
flat angles C4'-P-C4' energy: -145.044
flat angles P-C4'-P energy: -89.484
tors. eta vs tors. theta energy: -98.777
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: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1210.050344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.050344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.050344 (E_RNA)
where:
Base-Base interactions energy: -693.886
where: short stacking energy: -341.484
Base-Backbone interact. energy: -1.554
local terms energy: -514.610333
where:
bonds (distance) C4'-P energy: -127.747
bonds (distance) P-C4' energy: -133.675
flat angles C4'-P-C4' energy: -116.539
flat angles P-C4'-P energy: -89.589
tors. eta vs tors. theta energy: -47.061
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: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -945.161550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.161550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.161550 (E_RNA)
where:
Base-Base interactions energy: -502.016
where: short stacking energy: -264.444
Base-Backbone interact. energy: -2.454
local terms energy: -440.691010
where:
bonds (distance) C4'-P energy: -114.901
bonds (distance) P-C4' energy: -127.436
flat angles C4'-P-C4' energy: -117.826
flat angles P-C4'-P energy: -76.439
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: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -585.631568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.631568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.631568 (E_RNA)
where:
Base-Base interactions energy: -234.639
where: short stacking energy: -161.975
Base-Backbone interact. energy: 4.837
local terms energy: -355.829793
where:
bonds (distance) C4'-P energy: -123.837
bonds (distance) P-C4' energy: -119.050
flat angles C4'-P-C4' energy: -85.904
flat angles P-C4'-P energy: -47.412
tors. eta vs tors. theta energy: 20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2488.717687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.717687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.717687 (E_RNA)
where:
Base-Base interactions energy: -1729.954
where: short stacking energy: -749.243
Base-Backbone interact. energy: -5.535
local terms energy: -753.228795
where:
bonds (distance) C4'-P energy: -133.103
bonds (distance) P-C4' energy: -137.568
flat angles C4'-P-C4' energy: -167.712
flat angles P-C4'-P energy: -112.876
tors. eta vs tors. theta energy: -201.970
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: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2393.416580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.416580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.416580 (E_RNA)
where:
Base-Base interactions energy: -1675.795
where: short stacking energy: -710.942
Base-Backbone interact. energy: -1.990
local terms energy: -715.631374
where:
bonds (distance) C4'-P energy: -125.518
bonds (distance) P-C4' energy: -140.747
flat angles C4'-P-C4' energy: -146.039
flat angles P-C4'-P energy: -103.681
tors. eta vs tors. theta energy: -199.646
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: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2322.702463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.702463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.702463 (E_RNA)
where:
Base-Base interactions energy: -1603.591
where: short stacking energy: -678.154
Base-Backbone interact. energy: 0.355
local terms energy: -719.466257
where:
bonds (distance) C4'-P energy: -135.490
bonds (distance) P-C4' energy: -137.539
flat angles C4'-P-C4' energy: -145.247
flat angles P-C4'-P energy: -101.795
tors. eta vs tors. theta energy: -199.396
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: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2108.579316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.579316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.579316 (E_RNA)
where:
Base-Base interactions energy: -1411.933
where: short stacking energy: -621.771
Base-Backbone interact. energy: -4.284
local terms energy: -692.362140
where:
bonds (distance) C4'-P energy: -136.486
bonds (distance) P-C4' energy: -144.106
flat angles C4'-P-C4' energy: -159.296
flat angles P-C4'-P energy: -88.204
tors. eta vs tors. theta energy: -164.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2086.419038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.419038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.419038 (E_RNA)
where:
Base-Base interactions energy: -1393.886
where: short stacking energy: -595.017
Base-Backbone interact. energy: 1.223
local terms energy: -693.756130
where:
bonds (distance) C4'-P energy: -119.826
bonds (distance) P-C4' energy: -147.048
flat angles C4'-P-C4' energy: -142.044
flat angles P-C4'-P energy: -111.082
tors. eta vs tors. theta energy: -173.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1860.766736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.766736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.766736 (E_RNA)
where:
Base-Base interactions energy: -1213.391
where: short stacking energy: -545.220
Base-Backbone interact. energy: -1.041
local terms energy: -646.334624
where:
bonds (distance) C4'-P energy: -118.044
bonds (distance) P-C4' energy: -133.725
flat angles C4'-P-C4' energy: -146.997
flat angles P-C4'-P energy: -96.322
tors. eta vs tors. theta energy: -151.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1523.673705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.673705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.673705 (E_RNA)
where:
Base-Base interactions energy: -993.038
where: short stacking energy: -444.613
Base-Backbone interact. energy: -3.824
local terms energy: -526.812019
where:
bonds (distance) C4'-P energy: -107.844
bonds (distance) P-C4' energy: -126.461
flat angles C4'-P-C4' energy: -126.064
flat angles P-C4'-P energy: -86.562
tors. eta vs tors. theta energy: -79.880
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: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1255.759893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.759893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.759893 (E_RNA)
where:
Base-Base interactions energy: -775.087
where: short stacking energy: -384.772
Base-Backbone interact. energy: -2.799
local terms energy: -477.873898
where:
bonds (distance) C4'-P energy: -125.928
bonds (distance) P-C4' energy: -122.895
flat angles C4'-P-C4' energy: -124.030
flat angles P-C4'-P energy: -45.948
tors. eta vs tors. theta energy: -59.073
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: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1001.628777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.628777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.628777 (E_RNA)
where:
Base-Base interactions energy: -549.686
where: short stacking energy: -274.271
Base-Backbone interact. energy: -3.138
local terms energy: -448.804559
where:
bonds (distance) C4'-P energy: -129.215
bonds (distance) P-C4' energy: -111.948
flat angles C4'-P-C4' energy: -111.706
flat angles P-C4'-P energy: -56.208
tors. eta vs tors. theta energy: -39.727
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: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -562.907791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.907791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.907791 (E_RNA)
where:
Base-Base interactions energy: -182.948
where: short stacking energy: -130.208
Base-Backbone interact. energy: 3.295
local terms energy: -383.254637
where:
bonds (distance) C4'-P energy: -99.707
bonds (distance) P-C4' energy: -146.448
flat angles C4'-P-C4' energy: -113.531
flat angles P-C4'-P energy: -63.581
tors. eta vs tors. theta energy: 40.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2511.969602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.969602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.969602 (E_RNA)
where:
Base-Base interactions energy: -1758.432
where: short stacking energy: -742.393
Base-Backbone interact. energy: -3.785
local terms energy: -749.752891
where:
bonds (distance) C4'-P energy: -140.169
bonds (distance) P-C4' energy: -148.837
flat angles C4'-P-C4' energy: -166.093
flat angles P-C4'-P energy: -94.097
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: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2448.509430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.509430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.509430 (E_RNA)
where:
Base-Base interactions energy: -1662.707
where: short stacking energy: -716.347
Base-Backbone interact. energy: -1.121
local terms energy: -784.681323
where:
bonds (distance) C4'-P energy: -152.677
bonds (distance) P-C4' energy: -139.730
flat angles C4'-P-C4' energy: -172.153
flat angles P-C4'-P energy: -113.324
tors. eta vs tors. theta energy: -206.797
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: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2286.113688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.113688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.113688 (E_RNA)
where:
Base-Base interactions energy: -1580.556
where: short stacking energy: -665.983
Base-Backbone interact. energy: 2.555
local terms energy: -708.113599
where:
bonds (distance) C4'-P energy: -138.892
bonds (distance) P-C4' energy: -135.097
flat angles C4'-P-C4' energy: -152.261
flat angles P-C4'-P energy: -86.930
tors. eta vs tors. theta energy: -194.934
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: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2141.535306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.535306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.535306 (E_RNA)
where:
Base-Base interactions energy: -1445.040
where: short stacking energy: -642.785
Base-Backbone interact. energy: 1.624
local terms energy: -698.118961
where:
bonds (distance) C4'-P energy: -128.649
bonds (distance) P-C4' energy: -139.818
flat angles C4'-P-C4' energy: -152.546
flat angles P-C4'-P energy: -94.130
tors. eta vs tors. theta energy: -182.976
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: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2062.134806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.134806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.134806 (E_RNA)
where:
Base-Base interactions energy: -1385.447
where: short stacking energy: -618.429
Base-Backbone interact. energy: -1.425
local terms energy: -675.262820
where:
bonds (distance) C4'-P energy: -122.134
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -147.110
flat angles P-C4'-P energy: -92.393
tors. eta vs tors. theta energy: -172.208
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: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1808.631803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.631803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.631803 (E_RNA)
where:
Base-Base interactions energy: -1220.977
where: short stacking energy: -545.087
Base-Backbone interact. energy: -0.168
local terms energy: -587.486857
where:
bonds (distance) C4'-P energy: -93.176
bonds (distance) P-C4' energy: -111.282
flat angles C4'-P-C4' energy: -150.269
flat angles P-C4'-P energy: -87.551
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1558.994563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.994563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.994563 (E_RNA)
where:
Base-Base interactions energy: -990.988
where: short stacking energy: -425.798
Base-Backbone interact. energy: -1.051
local terms energy: -566.955766
where:
bonds (distance) C4'-P energy: -127.186
bonds (distance) P-C4' energy: -133.675
flat angles C4'-P-C4' energy: -136.114
flat angles P-C4'-P energy: -92.322
tors. eta vs tors. theta energy: -77.659
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1301.087147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.087147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.087147 (E_RNA)
where:
Base-Base interactions energy: -769.513
where: short stacking energy: -363.914
Base-Backbone interact. energy: -1.578
local terms energy: -529.996433
where:
bonds (distance) C4'-P energy: -121.818
bonds (distance) P-C4' energy: -127.180
flat angles C4'-P-C4' energy: -130.431
flat angles P-C4'-P energy: -79.696
tors. eta vs tors. theta energy: -70.871
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: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -944.823082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.823082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.823082 (E_RNA)
where:
Base-Base interactions energy: -492.823
where: short stacking energy: -249.269
Base-Backbone interact. energy: -2.190
local terms energy: -449.809578
where:
bonds (distance) C4'-P energy: -105.584
bonds (distance) P-C4' energy: -146.841
flat angles C4'-P-C4' energy: -110.948
flat angles P-C4'-P energy: -69.036
tors. eta vs tors. theta energy: -17.400
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: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -572.386700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.386700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.386700 (E_RNA)
where:
Base-Base interactions energy: -206.318
where: short stacking energy: -173.566
Base-Backbone interact. energy: 0.453
local terms energy: -366.521396
where:
bonds (distance) C4'-P energy: -95.100
bonds (distance) P-C4' energy: -121.826
flat angles C4'-P-C4' energy: -108.605
flat angles P-C4'-P energy: -64.715
tors. eta vs tors. theta energy: 23.725
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)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 27140082
moves confirmed later: 30056790
all moves confirmed: 57196872
percent of confirmed moves: 35.748045
current total energy: -2381.494760
recalc. total energy: -2381.494760
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 28939901
moves confirmed later: 32440220
all moves confirmed: 61380121
percent of confirmed moves: 38.362576
current total energy: -2381.169259
recalc. total energy: -2381.169259
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 28072513
moves confirmed later: 31509905
all moves confirmed: 59582418
percent of confirmed moves: 37.239011
current total energy: -2159.866784
recalc. total energy: -2159.866784
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 33065856
moves confirmed later: 37758371
all moves confirmed: 70824227
percent of confirmed moves: 44.265142
current total energy: -1980.042280
recalc. total energy: -1980.042280
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 41422391
moves confirmed later: 49130957
all moves confirmed: 90553348
percent of confirmed moves: 56.595843
current total energy: -1956.094815
recalc. total energy: -1956.094815
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 36527997
moves confirmed later: 42425081
all moves confirmed: 78953078
percent of confirmed moves: 49.345674
current total energy: -1573.785181
recalc. total energy: -1573.785181
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 46743488
moves confirmed later: 55887094
all moves confirmed: 102630582
percent of confirmed moves: 64.144114
current total energy: -1378.401258
recalc. total energy: -1378.401258
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 46977528
moves confirmed later: 56384659
all moves confirmed: 103362187
percent of confirmed moves: 64.601367
current total energy: -1108.458961
recalc. total energy: -1108.458961
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 39414202
moves confirmed later: 46233939
all moves confirmed: 85648141
percent of confirmed moves: 53.530088
current total energy: -799.541013
recalc. total energy: -799.541013
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 57376782
moves confirmed later: 69800653
all moves confirmed: 127177435
percent of confirmed moves: 79.485897
current total energy: -433.880529
recalc. total energy: -433.880529
out arg RESULTS//1/SimRNA-Snord17-e5fade23_01
Time of doing 1600000 iterations: 5875.874 seconds