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/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2_snRNA-a31a686e/inputs/seq.fa: 1
curr_seq: _AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCACCUCUCGGUCUUUUGGCUAAGAUCAAAUGUAGUAUGUUUUUACCAGCUUAACAUCUGAUACAUCCUCUAUCUGAGGACAAUAUAUUAAAUGGGUUUUUUGAGCAGGGGGAUGGAAAAGGAGCUUGCUUCAUCCACUCCUAUGCAUCAACCUGGUAUUGCAGGACCUCCAGGAAUGGUGCAUCACCA
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 190 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: 955
n_atoms_counter: 955
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 190.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -770.305706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.305706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.305706 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.547694
where:
bonds (distance) C4'-P energy: -184.600
bonds (distance) P-C4' energy: -170.879
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -159.576
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -935.664533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.664533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.664533 (E_RNA)
where:
Base-Base interactions energy: -397.052
where: short stacking energy: -393.342
Base-Backbone interact. energy: -0.405
local terms energy: -538.207037
where:
bonds (distance) C4'-P energy: -119.537
bonds (distance) P-C4' energy: -124.315
flat angles C4'-P-C4' energy: -112.136
flat angles P-C4'-P energy: -79.540
tors. eta vs tors. theta energy: -102.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -890.093503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.093503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.093503 (E_RNA)
where:
Base-Base interactions energy: -357.188
where: short stacking energy: -356.299
Base-Backbone interact. energy: 0.351
local terms energy: -533.256264
where:
bonds (distance) C4'-P energy: -119.976
bonds (distance) P-C4' energy: -122.726
flat angles C4'-P-C4' energy: -121.648
flat angles P-C4'-P energy: -78.702
tors. eta vs tors. theta energy: -90.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -806.034776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.034776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.034776 (E_RNA)
where:
Base-Base interactions energy: -299.636
where: short stacking energy: -299.183
Base-Backbone interact. energy: -0.022
local terms energy: -506.376592
where:
bonds (distance) C4'-P energy: -121.419
bonds (distance) P-C4' energy: -121.533
flat angles C4'-P-C4' energy: -118.553
flat angles P-C4'-P energy: -66.532
tors. eta vs tors. theta energy: -78.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -771.437765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.437765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.437765 (E_RNA)
where:
Base-Base interactions energy: -297.023
where: short stacking energy: -297.023
Base-Backbone interact. energy: -0.051
local terms energy: -474.364580
where:
bonds (distance) C4'-P energy: -108.664
bonds (distance) P-C4' energy: -110.211
flat angles C4'-P-C4' energy: -109.050
flat angles P-C4'-P energy: -68.543
tors. eta vs tors. theta energy: -77.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -769.965550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.965550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.965550 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.207538
where:
bonds (distance) C4'-P energy: -184.484
bonds (distance) P-C4' energy: -170.872
flat angles C4'-P-C4' energy: -139.206
flat angles P-C4'-P energy: -159.502
tors. eta vs tors. theta energy: -85.144
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -769.965550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.965550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.965550 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -739.207538
where:
bonds (distance) C4'-P energy: -184.484
bonds (distance) P-C4' energy: -170.872
flat angles C4'-P-C4' energy: -139.206
flat angles P-C4'-P energy: -159.502
tors. eta vs tors. theta energy: -85.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -769.714639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.714639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.714639 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -738.956627
where:
bonds (distance) C4'-P energy: -184.484
bonds (distance) P-C4' energy: -170.872
flat angles C4'-P-C4' energy: -138.918
flat angles P-C4'-P energy: -159.539
tors. eta vs tors. theta energy: -85.144
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -769.714639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.714639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.714639 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -738.956627
where:
bonds (distance) C4'-P energy: -184.484
bonds (distance) P-C4' energy: -170.872
flat angles C4'-P-C4' energy: -138.918
flat angles P-C4'-P energy: -159.539
tors. eta vs tors. theta energy: -85.144
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -769.714639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.714639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.714639 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -738.956627
where:
bonds (distance) C4'-P energy: -184.484
bonds (distance) P-C4' energy: -170.872
flat angles C4'-P-C4' energy: -138.918
flat angles P-C4'-P energy: -159.539
tors. eta vs tors. theta energy: -85.144
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -769.714639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.714639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.714639 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.000
local terms energy: -738.956627
where:
bonds (distance) C4'-P energy: -184.484
bonds (distance) P-C4' energy: -170.872
flat angles C4'-P-C4' energy: -138.918
flat angles P-C4'-P energy: -159.539
tors. eta vs tors. theta energy: -85.144
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -978.071481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.071481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.071481 (E_RNA)
where:
Base-Base interactions energy: -427.549
where: short stacking energy: -397.484
Base-Backbone interact. energy: -0.299
local terms energy: -550.224257
where:
bonds (distance) C4'-P energy: -129.987
bonds (distance) P-C4' energy: -115.516
flat angles C4'-P-C4' energy: -122.873
flat angles P-C4'-P energy: -81.680
tors. eta vs tors. theta energy: -100.168
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -895.626280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.626280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.626280 (E_RNA)
where:
Base-Base interactions energy: -381.828
where: short stacking energy: -363.792
Base-Backbone interact. energy: 4.631
local terms energy: -518.429303
where:
bonds (distance) C4'-P energy: -113.717
bonds (distance) P-C4' energy: -130.566
flat angles C4'-P-C4' energy: -111.239
flat angles P-C4'-P energy: -81.604
tors. eta vs tors. theta energy: -81.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -833.343023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.343023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.343023 (E_RNA)
where:
Base-Base interactions energy: -351.490
where: short stacking energy: -335.291
Base-Backbone interact. energy: 4.262
local terms energy: -486.114878
where:
bonds (distance) C4'-P energy: -115.085
bonds (distance) P-C4' energy: -130.194
flat angles C4'-P-C4' energy: -101.493
flat angles P-C4'-P energy: -74.306
tors. eta vs tors. theta energy: -65.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -767.992025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.992025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.992025 (E_RNA)
where:
Base-Base interactions energy: -304.510
where: short stacking energy: -290.074
Base-Backbone interact. energy: -1.286
local terms energy: -462.195451
where:
bonds (distance) C4'-P energy: -111.852
bonds (distance) P-C4' energy: -100.935
flat angles C4'-P-C4' energy: -117.893
flat angles P-C4'-P energy: -75.130
tors. eta vs tors. theta energy: -56.386
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -683.690121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.690121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.690121 (E_RNA)
where:
Base-Base interactions energy: -259.604
where: short stacking energy: -239.640
Base-Backbone interact. energy: 1.105
local terms energy: -425.191170
where:
bonds (distance) C4'-P energy: -105.466
bonds (distance) P-C4' energy: -93.613
flat angles C4'-P-C4' energy: -108.248
flat angles P-C4'-P energy: -70.815
tors. eta vs tors. theta energy: -47.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -637.794615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.794615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.794615 (E_RNA)
where:
Base-Base interactions energy: -252.591
where: short stacking energy: -228.631
Base-Backbone interact. energy: -0.310
local terms energy: -384.893892
where:
bonds (distance) C4'-P energy: -100.868
bonds (distance) P-C4' energy: -102.046
flat angles C4'-P-C4' energy: -81.839
flat angles P-C4'-P energy: -66.783
tors. eta vs tors. theta energy: -33.358
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -584.148850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.148850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.148850 (E_RNA)
where:
Base-Base interactions energy: -215.227
where: short stacking energy: -174.823
Base-Backbone interact. energy: -1.407
local terms energy: -367.515304
where:
bonds (distance) C4'-P energy: -113.653
bonds (distance) P-C4' energy: -110.118
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -63.876
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -539.052743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.052743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.052743 (E_RNA)
where:
Base-Base interactions energy: -190.247
where: short stacking energy: -154.063
Base-Backbone interact. energy: -1.221
local terms energy: -347.585325
where:
bonds (distance) C4'-P energy: -102.951
bonds (distance) P-C4' energy: -103.590
flat angles C4'-P-C4' energy: -78.226
flat angles P-C4'-P energy: -60.713
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -511.039583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.039583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.039583 (E_RNA)
where:
Base-Base interactions energy: -186.043
where: short stacking energy: -164.096
Base-Backbone interact. energy: -2.566
local terms energy: -322.430493
where:
bonds (distance) C4'-P energy: -81.014
bonds (distance) P-C4' energy: -103.465
flat angles C4'-P-C4' energy: -91.655
flat angles P-C4'-P energy: -47.693
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -445.473068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.473068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.473068 (E_RNA)
where:
Base-Base interactions energy: -156.961
where: short stacking energy: -143.772
Base-Backbone interact. energy: -0.037
local terms energy: -288.474283
where:
bonds (distance) C4'-P energy: -87.637
bonds (distance) P-C4' energy: -89.393
flat angles C4'-P-C4' energy: -70.740
flat angles P-C4'-P energy: -58.091
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1041.834878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.834878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.834878 (E_RNA)
where:
Base-Base interactions energy: -498.616
where: short stacking energy: -453.481
Base-Backbone interact. energy: -0.951
local terms energy: -542.268021
where:
bonds (distance) C4'-P energy: -106.525
bonds (distance) P-C4' energy: -119.228
flat angles C4'-P-C4' energy: -124.382
flat angles P-C4'-P energy: -76.652
tors. eta vs tors. theta energy: -115.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -901.503655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.503655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.503655 (E_RNA)
where:
Base-Base interactions energy: -382.808
where: short stacking energy: -343.224
Base-Backbone interact. energy: -0.672
local terms energy: -518.023494
where:
bonds (distance) C4'-P energy: -110.335
bonds (distance) P-C4' energy: -129.312
flat angles C4'-P-C4' energy: -119.544
flat angles P-C4'-P energy: -79.039
tors. eta vs tors. theta energy: -79.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -877.420244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.420244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.420244 (E_RNA)
where:
Base-Base interactions energy: -400.238
where: short stacking energy: -326.090
Base-Backbone interact. energy: -0.341
local terms energy: -476.841759
where:
bonds (distance) C4'-P energy: -108.692
bonds (distance) P-C4' energy: -110.779
flat angles C4'-P-C4' energy: -109.836
flat angles P-C4'-P energy: -69.854
tors. eta vs tors. theta energy: -77.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -787.645304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.645304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.645304 (E_RNA)
where:
Base-Base interactions energy: -349.219
where: short stacking energy: -282.096
Base-Backbone interact. energy: -0.997
local terms energy: -437.429768
where:
bonds (distance) C4'-P energy: -128.212
bonds (distance) P-C4' energy: -117.783
flat angles C4'-P-C4' energy: -108.120
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: -36.713
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: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -707.236764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.236764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.236764 (E_RNA)
where:
Base-Base interactions energy: -277.169
where: short stacking energy: -223.259
Base-Backbone interact. energy: -3.746
local terms energy: -426.321110
where:
bonds (distance) C4'-P energy: -114.578
bonds (distance) P-C4' energy: -107.156
flat angles C4'-P-C4' energy: -101.691
flat angles P-C4'-P energy: -75.504
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -774.433664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.433664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.433664 (E_RNA)
where:
Base-Base interactions energy: -392.697
where: short stacking energy: -228.238
Base-Backbone interact. energy: 1.963
local terms energy: -383.699865
where:
bonds (distance) C4'-P energy: -94.925
bonds (distance) P-C4' energy: -106.328
flat angles C4'-P-C4' energy: -82.479
flat angles P-C4'-P energy: -72.394
tors. eta vs tors. theta energy: -27.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -600.472689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.472689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.472689 (E_RNA)
where:
Base-Base interactions energy: -214.854
where: short stacking energy: -174.133
Base-Backbone interact. energy: 0.395
local terms energy: -386.014123
where:
bonds (distance) C4'-P energy: -103.825
bonds (distance) P-C4' energy: -115.921
flat angles C4'-P-C4' energy: -103.977
flat angles P-C4'-P energy: -54.829
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -545.095408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.095408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.095408 (E_RNA)
where:
Base-Base interactions energy: -212.358
where: short stacking energy: -151.406
Base-Backbone interact. energy: 0.118
local terms energy: -332.855525
where:
bonds (distance) C4'-P energy: -104.144
bonds (distance) P-C4' energy: -108.211
flat angles C4'-P-C4' energy: -83.735
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: 8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -509.457665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.457665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.457665 (E_RNA)
where:
Base-Base interactions energy: -194.425
where: short stacking energy: -130.155
Base-Backbone interact. energy: 2.634
local terms energy: -317.666792
where:
bonds (distance) C4'-P energy: -102.788
bonds (distance) P-C4' energy: -89.604
flat angles C4'-P-C4' energy: -95.695
flat angles P-C4'-P energy: -45.610
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -474.575786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.575786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.575786 (E_RNA)
where:
Base-Base interactions energy: -175.163
where: short stacking energy: -126.050
Base-Backbone interact. energy: -3.091
local terms energy: -296.322184
where:
bonds (distance) C4'-P energy: -90.526
bonds (distance) P-C4' energy: -98.949
flat angles C4'-P-C4' energy: -81.777
flat angles P-C4'-P energy: -39.637
tors. eta vs tors. theta energy: 14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1073.370831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.370831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.370831 (E_RNA)
where:
Base-Base interactions energy: -516.321
where: short stacking energy: -440.481
Base-Backbone interact. energy: -0.370
local terms energy: -556.680279
where:
bonds (distance) C4'-P energy: -116.000
bonds (distance) P-C4' energy: -117.001
flat angles C4'-P-C4' energy: -127.696
flat angles P-C4'-P energy: -72.610
tors. eta vs tors. theta energy: -123.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -931.433834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.433834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.433834 (E_RNA)
where:
Base-Base interactions energy: -435.767
where: short stacking energy: -332.245
Base-Backbone interact. energy: 1.049
local terms energy: -496.715936
where:
bonds (distance) C4'-P energy: -117.146
bonds (distance) P-C4' energy: -118.905
flat angles C4'-P-C4' energy: -117.719
flat angles P-C4'-P energy: -73.163
tors. eta vs tors. theta energy: -69.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -908.899887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.899887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.899887 (E_RNA)
where:
Base-Base interactions energy: -448.411
where: short stacking energy: -330.570
Base-Backbone interact. energy: -0.174
local terms energy: -460.315093
where:
bonds (distance) C4'-P energy: -118.460
bonds (distance) P-C4' energy: -108.879
flat angles C4'-P-C4' energy: -103.337
flat angles P-C4'-P energy: -75.573
tors. eta vs tors. theta energy: -54.065
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: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -842.589179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.589179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.589179 (E_RNA)
where:
Base-Base interactions energy: -409.809
where: short stacking energy: -283.851
Base-Backbone interact. energy: -2.144
local terms energy: -430.636328
where:
bonds (distance) C4'-P energy: -108.201
bonds (distance) P-C4' energy: -109.334
flat angles C4'-P-C4' energy: -102.347
flat angles P-C4'-P energy: -61.867
tors. eta vs tors. theta energy: -48.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -750.081783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.081783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.081783 (E_RNA)
where:
Base-Base interactions energy: -342.389
where: short stacking energy: -230.525
Base-Backbone interact. energy: 0.766
local terms energy: -408.459499
where:
bonds (distance) C4'-P energy: -107.295
bonds (distance) P-C4' energy: -98.581
flat angles C4'-P-C4' energy: -108.110
flat angles P-C4'-P energy: -62.509
tors. eta vs tors. theta energy: -31.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -829.945625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.945625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.945625 (E_RNA)
where:
Base-Base interactions energy: -415.556
where: short stacking energy: -256.388
Base-Backbone interact. energy: 1.200
local terms energy: -415.590183
where:
bonds (distance) C4'-P energy: -93.551
bonds (distance) P-C4' energy: -107.787
flat angles C4'-P-C4' energy: -108.499
flat angles P-C4'-P energy: -72.670
tors. eta vs tors. theta energy: -33.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -589.151822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.151822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.151822 (E_RNA)
where:
Base-Base interactions energy: -257.622
where: short stacking energy: -191.089
Base-Backbone interact. energy: -2.190
local terms energy: -329.339571
where:
bonds (distance) C4'-P energy: -95.354
bonds (distance) P-C4' energy: -115.883
flat angles C4'-P-C4' energy: -93.338
flat angles P-C4'-P energy: -28.279
tors. eta vs tors. theta energy: 3.513
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -585.729736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.729736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.729736 (E_RNA)
where:
Base-Base interactions energy: -239.786
where: short stacking energy: -172.291
Base-Backbone interact. energy: 9.336
local terms energy: -355.280421
where:
bonds (distance) C4'-P energy: -99.868
bonds (distance) P-C4' energy: -88.661
flat angles C4'-P-C4' energy: -90.447
flat angles P-C4'-P energy: -67.587
tors. eta vs tors. theta energy: -8.718
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: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -496.135783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.135783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.135783 (E_RNA)
where:
Base-Base interactions energy: -178.952
where: short stacking energy: -137.584
Base-Backbone interact. energy: 0.079
local terms energy: -317.261990
where:
bonds (distance) C4'-P energy: -90.208
bonds (distance) P-C4' energy: -103.187
flat angles C4'-P-C4' energy: -74.944
flat angles P-C4'-P energy: -62.610
tors. eta vs tors. theta energy: 13.687
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -439.395323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.395323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.395323 (E_RNA)
where:
Base-Base interactions energy: -148.526
where: short stacking energy: -108.732
Base-Backbone interact. energy: -1.385
local terms energy: -289.483719
where:
bonds (distance) C4'-P energy: -98.041
bonds (distance) P-C4' energy: -88.995
flat angles C4'-P-C4' energy: -78.250
flat angles P-C4'-P energy: -47.183
tors. eta vs tors. theta energy: 22.986
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: 6
Temperature: 0.900000
Total energy: -1096.893762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.893762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.893762 (E_RNA)
where:
Base-Base interactions energy: -537.912
where: short stacking energy: -431.095
Base-Backbone interact. energy: -0.343
local terms energy: -558.639611
where:
bonds (distance) C4'-P energy: -120.671
bonds (distance) P-C4' energy: -121.086
flat angles C4'-P-C4' energy: -117.896
flat angles P-C4'-P energy: -86.128
tors. eta vs tors. theta energy: -112.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1035.489633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.489633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.489633 (E_RNA)
where:
Base-Base interactions energy: -535.194
where: short stacking energy: -370.075
Base-Backbone interact. energy: -2.284
local terms energy: -498.011522
where:
bonds (distance) C4'-P energy: -106.702
bonds (distance) P-C4' energy: -115.689
flat angles C4'-P-C4' energy: -117.428
flat angles P-C4'-P energy: -73.389
tors. eta vs tors. theta energy: -84.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -896.269092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.269092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.269092 (E_RNA)
where:
Base-Base interactions energy: -426.380
where: short stacking energy: -319.483
Base-Backbone interact. energy: -2.538
local terms energy: -467.350875
where:
bonds (distance) C4'-P energy: -103.817
bonds (distance) P-C4' energy: -115.635
flat angles C4'-P-C4' energy: -118.066
flat angles P-C4'-P energy: -68.166
tors. eta vs tors. theta energy: -61.666
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: 6
Temperature: 1.050000
Total energy: -924.937944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.937944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.937944 (E_RNA)
where:
Base-Base interactions energy: -462.674
where: short stacking energy: -274.997
Base-Backbone interact. energy: -1.577
local terms energy: -460.686405
where:
bonds (distance) C4'-P energy: -110.637
bonds (distance) P-C4' energy: -119.877
flat angles C4'-P-C4' energy: -112.848
flat angles P-C4'-P energy: -61.481
tors. eta vs tors. theta energy: -55.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -921.845469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.845469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.845469 (E_RNA)
where:
Base-Base interactions energy: -468.253
where: short stacking energy: -271.999
Base-Backbone interact. energy: -3.039
local terms energy: -450.554075
where:
bonds (distance) C4'-P energy: -111.166
bonds (distance) P-C4' energy: -115.931
flat angles C4'-P-C4' energy: -107.896
flat angles P-C4'-P energy: -65.420
tors. eta vs tors. theta energy: -50.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -794.774566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.774566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.774566 (E_RNA)
where:
Base-Base interactions energy: -403.442
where: short stacking energy: -268.759
Base-Backbone interact. energy: 3.251
local terms energy: -394.583512
where:
bonds (distance) C4'-P energy: -100.777
bonds (distance) P-C4' energy: -112.211
flat angles C4'-P-C4' energy: -105.805
flat angles P-C4'-P energy: -46.829
tors. eta vs tors. theta energy: -28.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -731.299765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.299765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.299765 (E_RNA)
where:
Base-Base interactions energy: -350.695
where: short stacking energy: -238.282
Base-Backbone interact. energy: 0.641
local terms energy: -381.245433
where:
bonds (distance) C4'-P energy: -111.580
bonds (distance) P-C4' energy: -96.351
flat angles C4'-P-C4' energy: -94.904
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -555.677536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.677536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.677536 (E_RNA)
where:
Base-Base interactions energy: -199.701
where: short stacking energy: -157.435
Base-Backbone interact. energy: 0.925
local terms energy: -356.901535
where:
bonds (distance) C4'-P energy: -97.365
bonds (distance) P-C4' energy: -101.280
flat angles C4'-P-C4' energy: -94.488
flat angles P-C4'-P energy: -59.217
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -473.475364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.475364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.475364 (E_RNA)
where:
Base-Base interactions energy: -159.963
where: short stacking energy: -135.961
Base-Backbone interact. energy: -0.625
local terms energy: -312.887305
where:
bonds (distance) C4'-P energy: -105.544
bonds (distance) P-C4' energy: -85.660
flat angles C4'-P-C4' energy: -87.028
flat angles P-C4'-P energy: -46.134
tors. eta vs tors. theta energy: 11.479
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: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -471.592528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.592528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.592528 (E_RNA)
where:
Base-Base interactions energy: -166.150
where: short stacking energy: -129.905
Base-Backbone interact. energy: 4.741
local terms energy: -310.183176
where:
bonds (distance) C4'-P energy: -71.506
bonds (distance) P-C4' energy: -115.764
flat angles C4'-P-C4' energy: -76.291
flat angles P-C4'-P energy: -55.175
tors. eta vs tors. theta energy: 8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1118.013444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.013444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.013444 (E_RNA)
where:
Base-Base interactions energy: -576.130
where: short stacking energy: -372.737
Base-Backbone interact. energy: -1.001
local terms energy: -540.882768
where:
bonds (distance) C4'-P energy: -124.347
bonds (distance) P-C4' energy: -128.969
flat angles C4'-P-C4' energy: -120.371
flat angles P-C4'-P energy: -69.890
tors. eta vs tors. theta energy: -97.307
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: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1099.657540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.657540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.657540 (E_RNA)
where:
Base-Base interactions energy: -591.380
where: short stacking energy: -373.499
Base-Backbone interact. energy: 0.485
local terms energy: -508.763057
where:
bonds (distance) C4'-P energy: -107.023
bonds (distance) P-C4' energy: -121.590
flat angles C4'-P-C4' energy: -120.375
flat angles P-C4'-P energy: -79.138
tors. eta vs tors. theta energy: -80.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -977.116257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.116257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.116257 (E_RNA)
where:
Base-Base interactions energy: -509.777
where: short stacking energy: -319.589
Base-Backbone interact. energy: -1.016
local terms energy: -466.323421
where:
bonds (distance) C4'-P energy: -112.210
bonds (distance) P-C4' energy: -111.305
flat angles C4'-P-C4' energy: -105.625
flat angles P-C4'-P energy: -74.182
tors. eta vs tors. theta energy: -63.001
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: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1064.783671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.783671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.783671 (E_RNA)
where:
Base-Base interactions energy: -598.407
where: short stacking energy: -319.188
Base-Backbone interact. energy: -0.347
local terms energy: -466.029628
where:
bonds (distance) C4'-P energy: -106.582
bonds (distance) P-C4' energy: -116.785
flat angles C4'-P-C4' energy: -108.268
flat angles P-C4'-P energy: -68.757
tors. eta vs tors. theta energy: -65.637
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: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -840.915654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.915654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.915654 (E_RNA)
where:
Base-Base interactions energy: -416.665
where: short stacking energy: -271.021
Base-Backbone interact. energy: 1.087
local terms energy: -425.337299
where:
bonds (distance) C4'-P energy: -96.021
bonds (distance) P-C4' energy: -107.453
flat angles C4'-P-C4' energy: -120.133
flat angles P-C4'-P energy: -60.973
tors. eta vs tors. theta energy: -40.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -851.222068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.222068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.222068 (E_RNA)
where:
Base-Base interactions energy: -444.363
where: short stacking energy: -270.145
Base-Backbone interact. energy: 0.100
local terms energy: -406.958789
where:
bonds (distance) C4'-P energy: -87.942
bonds (distance) P-C4' energy: -101.415
flat angles C4'-P-C4' energy: -110.975
flat angles P-C4'-P energy: -64.895
tors. eta vs tors. theta energy: -41.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -706.005011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.005011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.005011 (E_RNA)
where:
Base-Base interactions energy: -302.089
where: short stacking energy: -222.137
Base-Backbone interact. energy: -2.594
local terms energy: -401.321870
where:
bonds (distance) C4'-P energy: -106.134
bonds (distance) P-C4' energy: -111.194
flat angles C4'-P-C4' energy: -90.840
flat angles P-C4'-P energy: -62.637
tors. eta vs tors. theta energy: -30.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -566.529014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.529014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.529014 (E_RNA)
where:
Base-Base interactions energy: -227.032
where: short stacking energy: -151.147
Base-Backbone interact. energy: -0.104
local terms energy: -339.392474
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -91.882
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -527.937712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.937712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.937712 (E_RNA)
where:
Base-Base interactions energy: -187.615
where: short stacking energy: -150.268
Base-Backbone interact. energy: 0.035
local terms energy: -340.357602
where:
bonds (distance) C4'-P energy: -102.543
bonds (distance) P-C4' energy: -106.191
flat angles C4'-P-C4' energy: -76.305
flat angles P-C4'-P energy: -50.304
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -428.251108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.251108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.251108 (E_RNA)
where:
Base-Base interactions energy: -124.523
where: short stacking energy: -115.994
Base-Backbone interact. energy: 2.180
local terms energy: -305.907351
where:
bonds (distance) C4'-P energy: -92.185
bonds (distance) P-C4' energy: -92.151
flat angles C4'-P-C4' energy: -74.014
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: 6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1198.602480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.602480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.602480 (E_RNA)
where:
Base-Base interactions energy: -685.859
where: short stacking energy: -394.733
Base-Backbone interact. energy: -0.278
local terms energy: -512.464757
where:
bonds (distance) C4'-P energy: -109.185
bonds (distance) P-C4' energy: -115.914
flat angles C4'-P-C4' energy: -113.139
flat angles P-C4'-P energy: -93.059
tors. eta vs tors. theta energy: -81.168
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1072.603337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.603337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.603337 (E_RNA)
where:
Base-Base interactions energy: -538.359
where: short stacking energy: -393.753
Base-Backbone interact. energy: -1.227
local terms energy: -533.017717
where:
bonds (distance) C4'-P energy: -119.365
bonds (distance) P-C4' energy: -120.724
flat angles C4'-P-C4' energy: -127.548
flat angles P-C4'-P energy: -75.341
tors. eta vs tors. theta energy: -90.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1214.386547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.386547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.386547 (E_RNA)
where:
Base-Base interactions energy: -693.378
where: short stacking energy: -420.799
Base-Backbone interact. energy: 3.502
local terms energy: -524.509722
where:
bonds (distance) C4'-P energy: -108.925
bonds (distance) P-C4' energy: -122.086
flat angles C4'-P-C4' energy: -126.469
flat angles P-C4'-P energy: -64.014
tors. eta vs tors. theta energy: -103.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1011.129608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.129608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.129608 (E_RNA)
where:
Base-Base interactions energy: -554.769
where: short stacking energy: -347.545
Base-Backbone interact. energy: -0.278
local terms energy: -456.082032
where:
bonds (distance) C4'-P energy: -120.022
bonds (distance) P-C4' energy: -103.216
flat angles C4'-P-C4' energy: -104.038
flat angles P-C4'-P energy: -66.108
tors. eta vs tors. theta energy: -62.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1028.703700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.703700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.703700 (E_RNA)
where:
Base-Base interactions energy: -572.935
where: short stacking energy: -335.998
Base-Backbone interact. energy: -1.701
local terms energy: -454.067671
where:
bonds (distance) C4'-P energy: -112.623
bonds (distance) P-C4' energy: -120.686
flat angles C4'-P-C4' energy: -98.976
flat angles P-C4'-P energy: -79.183
tors. eta vs tors. theta energy: -42.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -763.852904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.852904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.852904 (E_RNA)
where:
Base-Base interactions energy: -363.572
where: short stacking energy: -222.950
Base-Backbone interact. energy: -0.361
local terms energy: -399.920740
where:
bonds (distance) C4'-P energy: -103.963
bonds (distance) P-C4' energy: -108.581
flat angles C4'-P-C4' energy: -98.312
flat angles P-C4'-P energy: -71.640
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -687.544096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.544096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.544096 (E_RNA)
where:
Base-Base interactions energy: -288.302
where: short stacking energy: -208.516
Base-Backbone interact. energy: -1.528
local terms energy: -397.714487
where:
bonds (distance) C4'-P energy: -114.401
bonds (distance) P-C4' energy: -97.772
flat angles C4'-P-C4' energy: -98.209
flat angles P-C4'-P energy: -54.620
tors. eta vs tors. theta energy: -32.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -630.151671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.151671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.151671 (E_RNA)
where:
Base-Base interactions energy: -307.295
where: short stacking energy: -196.920
Base-Backbone interact. energy: 0.968
local terms energy: -323.824091
where:
bonds (distance) C4'-P energy: -76.833
bonds (distance) P-C4' energy: -96.951
flat angles C4'-P-C4' energy: -87.925
flat angles P-C4'-P energy: -53.726
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -629.742583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.742583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.742583 (E_RNA)
where:
Base-Base interactions energy: -304.136
where: short stacking energy: -171.058
Base-Backbone interact. energy: -2.903
local terms energy: -322.702784
where:
bonds (distance) C4'-P energy: -93.711
bonds (distance) P-C4' energy: -100.836
flat angles C4'-P-C4' energy: -88.571
flat angles P-C4'-P energy: -43.577
tors. eta vs tors. theta energy: 3.993
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: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -469.264263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.264263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.264263 (E_RNA)
where:
Base-Base interactions energy: -166.487
where: short stacking energy: -148.262
Base-Backbone interact. energy: 0.145
local terms energy: -302.921935
where:
bonds (distance) C4'-P energy: -91.601
bonds (distance) P-C4' energy: -98.347
flat angles C4'-P-C4' energy: -79.299
flat angles P-C4'-P energy: -43.933
tors. eta vs tors. theta energy: 10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1267.199199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.199199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.199199 (E_RNA)
where:
Base-Base interactions energy: -751.329
where: short stacking energy: -417.600
Base-Backbone interact. energy: 1.389
local terms energy: -517.259147
where:
bonds (distance) C4'-P energy: -111.604
bonds (distance) P-C4' energy: -131.626
flat angles C4'-P-C4' energy: -114.096
flat angles P-C4'-P energy: -75.870
tors. eta vs tors. theta energy: -84.063
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: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1228.843943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.843943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.843943 (E_RNA)
where:
Base-Base interactions energy: -716.936
where: short stacking energy: -410.813
Base-Backbone interact. energy: 3.723
local terms energy: -515.630987
where:
bonds (distance) C4'-P energy: -116.970
bonds (distance) P-C4' energy: -118.628
flat angles C4'-P-C4' energy: -118.073
flat angles P-C4'-P energy: -60.953
tors. eta vs tors. theta energy: -101.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -971.934243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.934243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.934243 (E_RNA)
where:
Base-Base interactions energy: -490.606
where: short stacking energy: -341.254
Base-Backbone interact. energy: -0.446
local terms energy: -480.882519
where:
bonds (distance) C4'-P energy: -110.001
bonds (distance) P-C4' energy: -112.288
flat angles C4'-P-C4' energy: -119.117
flat angles P-C4'-P energy: -68.861
tors. eta vs tors. theta energy: -70.615
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: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1187.360072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.360072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.360072 (E_RNA)
where:
Base-Base interactions energy: -718.885
where: short stacking energy: -352.710
Base-Backbone interact. energy: 3.454
local terms energy: -471.928797
where:
bonds (distance) C4'-P energy: -111.102
bonds (distance) P-C4' energy: -116.835
flat angles C4'-P-C4' energy: -102.869
flat angles P-C4'-P energy: -83.611
tors. eta vs tors. theta energy: -57.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -940.601516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.601516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.601516 (E_RNA)
where:
Base-Base interactions energy: -539.003
where: short stacking energy: -293.630
Base-Backbone interact. energy: -3.040
local terms energy: -398.558496
where:
bonds (distance) C4'-P energy: -103.580
bonds (distance) P-C4' energy: -111.778
flat angles C4'-P-C4' energy: -99.688
flat angles P-C4'-P energy: -51.982
tors. eta vs tors. theta energy: -31.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -791.429299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.429299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.429299 (E_RNA)
where:
Base-Base interactions energy: -387.095
where: short stacking energy: -255.679
Base-Backbone interact. energy: 0.848
local terms energy: -405.182722
where:
bonds (distance) C4'-P energy: -99.153
bonds (distance) P-C4' energy: -97.738
flat angles C4'-P-C4' energy: -112.255
flat angles P-C4'-P energy: -61.248
tors. eta vs tors. theta energy: -34.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -709.355692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.355692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.355692 (E_RNA)
where:
Base-Base interactions energy: -327.816
where: short stacking energy: -204.640
Base-Backbone interact. energy: -4.314
local terms energy: -377.226122
where:
bonds (distance) C4'-P energy: -104.468
bonds (distance) P-C4' energy: -94.397
flat angles C4'-P-C4' energy: -106.543
flat angles P-C4'-P energy: -59.280
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -645.135767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.135767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.135767 (E_RNA)
where:
Base-Base interactions energy: -288.149
where: short stacking energy: -196.629
Base-Backbone interact. energy: 5.661
local terms energy: -362.647346
where:
bonds (distance) C4'-P energy: -97.878
bonds (distance) P-C4' energy: -110.523
flat angles C4'-P-C4' energy: -91.713
flat angles P-C4'-P energy: -54.548
tors. eta vs tors. theta energy: -7.986
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: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -558.881082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.881082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.881082 (E_RNA)
where:
Base-Base interactions energy: -223.176
where: short stacking energy: -152.020
Base-Backbone interact. energy: 2.504
local terms energy: -338.209025
where:
bonds (distance) C4'-P energy: -105.062
bonds (distance) P-C4' energy: -111.003
flat angles C4'-P-C4' energy: -76.872
flat angles P-C4'-P energy: -48.359
tors. eta vs tors. theta energy: 3.085
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: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -434.706704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.706704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.706704 (E_RNA)
where:
Base-Base interactions energy: -148.360
where: short stacking energy: -110.561
Base-Backbone interact. energy: -2.729
local terms energy: -283.617576
where:
bonds (distance) C4'-P energy: -79.561
bonds (distance) P-C4' energy: -97.354
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -54.998
tors. eta vs tors. theta energy: 22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1306.119390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.119390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.119390 (E_RNA)
where:
Base-Base interactions energy: -777.130
where: short stacking energy: -473.524
Base-Backbone interact. energy: 0.091
local terms energy: -529.080215
where:
bonds (distance) C4'-P energy: -112.546
bonds (distance) P-C4' energy: -111.859
flat angles C4'-P-C4' energy: -128.874
flat angles P-C4'-P energy: -69.712
tors. eta vs tors. theta energy: -106.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1224.724564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.724564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.724564 (E_RNA)
where:
Base-Base interactions energy: -718.201
where: short stacking energy: -386.689
Base-Backbone interact. energy: -0.588
local terms energy: -505.936261
where:
bonds (distance) C4'-P energy: -112.152
bonds (distance) P-C4' energy: -109.920
flat angles C4'-P-C4' energy: -118.409
flat angles P-C4'-P energy: -70.508
tors. eta vs tors. theta energy: -94.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1310.312388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.312388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.312388 (E_RNA)
where:
Base-Base interactions energy: -795.405
where: short stacking energy: -373.104
Base-Backbone interact. energy: -4.127
local terms energy: -510.780620
where:
bonds (distance) C4'-P energy: -111.922
bonds (distance) P-C4' energy: -115.925
flat angles C4'-P-C4' energy: -115.520
flat angles P-C4'-P energy: -70.479
tors. eta vs tors. theta energy: -96.936
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: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -883.079908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.079908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.079908 (E_RNA)
where:
Base-Base interactions energy: -435.177
where: short stacking energy: -292.000
Base-Backbone interact. energy: 3.383
local terms energy: -451.285797
where:
bonds (distance) C4'-P energy: -120.475
bonds (distance) P-C4' energy: -113.292
flat angles C4'-P-C4' energy: -111.546
flat angles P-C4'-P energy: -59.209
tors. eta vs tors. theta energy: -46.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1010.356003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.356003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.356003 (E_RNA)
where:
Base-Base interactions energy: -531.057
where: short stacking energy: -284.437
Base-Backbone interact. energy: -3.264
local terms energy: -476.034536
where:
bonds (distance) C4'-P energy: -103.169
bonds (distance) P-C4' energy: -126.178
flat angles C4'-P-C4' energy: -124.439
flat angles P-C4'-P energy: -73.320
tors. eta vs tors. theta energy: -48.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -851.786945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.786945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.786945 (E_RNA)
where:
Base-Base interactions energy: -460.195
where: short stacking energy: -234.391
Base-Backbone interact. energy: 0.040
local terms energy: -391.631897
where:
bonds (distance) C4'-P energy: -96.700
bonds (distance) P-C4' energy: -122.082
flat angles C4'-P-C4' energy: -101.753
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -15.395
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: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -720.173847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.173847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.173847 (E_RNA)
where:
Base-Base interactions energy: -345.585
where: short stacking energy: -206.216
Base-Backbone interact. energy: -0.266
local terms energy: -374.322111
where:
bonds (distance) C4'-P energy: -94.088
bonds (distance) P-C4' energy: -116.336
flat angles C4'-P-C4' energy: -87.931
flat angles P-C4'-P energy: -67.213
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -651.305327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.305327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.305327 (E_RNA)
where:
Base-Base interactions energy: -307.980
where: short stacking energy: -223.731
Base-Backbone interact. energy: 4.542
local terms energy: -347.867488
where:
bonds (distance) C4'-P energy: -100.902
bonds (distance) P-C4' energy: -113.375
flat angles C4'-P-C4' energy: -81.587
flat angles P-C4'-P energy: -47.447
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -525.958189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.958189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.958189 (E_RNA)
where:
Base-Base interactions energy: -202.021
where: short stacking energy: -146.534
Base-Backbone interact. energy: -0.103
local terms energy: -323.834330
where:
bonds (distance) C4'-P energy: -92.246
bonds (distance) P-C4' energy: -111.915
flat angles C4'-P-C4' energy: -93.233
flat angles P-C4'-P energy: -41.800
tors. eta vs tors. theta energy: 15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -441.952182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.952182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.952182 (E_RNA)
where:
Base-Base interactions energy: -141.295
where: short stacking energy: -125.962
Base-Backbone interact. energy: -1.114
local terms energy: -299.542922
where:
bonds (distance) C4'-P energy: -92.427
bonds (distance) P-C4' energy: -98.646
flat angles C4'-P-C4' energy: -94.723
flat angles P-C4'-P energy: -43.797
tors. eta vs tors. theta energy: 30.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1333.582089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.582089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.582089 (E_RNA)
where:
Base-Base interactions energy: -777.794
where: short stacking energy: -467.358
Base-Backbone interact. energy: 1.341
local terms energy: -557.128522
where:
bonds (distance) C4'-P energy: -116.238
bonds (distance) P-C4' energy: -117.773
flat angles C4'-P-C4' energy: -123.039
flat angles P-C4'-P energy: -83.131
tors. eta vs tors. theta energy: -116.948
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: 2, replica: 9
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1457.205440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.205440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.205440 (E_RNA)
where:
Base-Base interactions energy: -942.598
where: short stacking energy: -446.895
Base-Backbone interact. energy: -3.346
local terms energy: -511.261064
where:
bonds (distance) C4'-P energy: -100.914
bonds (distance) P-C4' energy: -110.918
flat angles C4'-P-C4' energy: -123.678
flat angles P-C4'-P energy: -69.767
tors. eta vs tors. theta energy: -105.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1243.385244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.385244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.385244 (E_RNA)
where:
Base-Base interactions energy: -720.942
where: short stacking energy: -366.961
Base-Backbone interact. energy: -1.047
local terms energy: -521.396563
where:
bonds (distance) C4'-P energy: -116.129
bonds (distance) P-C4' energy: -120.837
flat angles C4'-P-C4' energy: -115.658
flat angles P-C4'-P energy: -65.875
tors. eta vs tors. theta energy: -102.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1128.253163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.253163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.253163 (E_RNA)
where:
Base-Base interactions energy: -654.038
where: short stacking energy: -378.958
Base-Backbone interact. energy: -0.695
local terms energy: -473.520098
where:
bonds (distance) C4'-P energy: -102.357
bonds (distance) P-C4' energy: -121.428
flat angles C4'-P-C4' energy: -114.850
flat angles P-C4'-P energy: -61.977
tors. eta vs tors. theta energy: -72.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -832.792982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.792982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.792982 (E_RNA)
where:
Base-Base interactions energy: -416.370
where: short stacking energy: -290.992
Base-Backbone interact. energy: -2.120
local terms energy: -414.303162
where:
bonds (distance) C4'-P energy: -92.926
bonds (distance) P-C4' energy: -101.524
flat angles C4'-P-C4' energy: -94.477
flat angles P-C4'-P energy: -56.988
tors. eta vs tors. theta energy: -68.388
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: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -940.846554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.846554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.846554 (E_RNA)
where:
Base-Base interactions energy: -524.699
where: short stacking energy: -285.432
Base-Backbone interact. energy: 3.010
local terms energy: -419.158498
where:
bonds (distance) C4'-P energy: -110.361
bonds (distance) P-C4' energy: -100.597
flat angles C4'-P-C4' energy: -87.000
flat angles P-C4'-P energy: -75.131
tors. eta vs tors. theta energy: -46.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -794.101271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.101271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.101271 (E_RNA)
where:
Base-Base interactions energy: -420.617
where: short stacking energy: -234.364
Base-Backbone interact. energy: -0.394
local terms energy: -373.090877
where:
bonds (distance) C4'-P energy: -89.285
bonds (distance) P-C4' energy: -102.084
flat angles C4'-P-C4' energy: -94.873
flat angles P-C4'-P energy: -61.118
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -636.957839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.957839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.957839 (E_RNA)
where:
Base-Base interactions energy: -303.776
where: short stacking energy: -171.272
Base-Backbone interact. energy: -2.614
local terms energy: -330.567888
where:
bonds (distance) C4'-P energy: -98.497
bonds (distance) P-C4' energy: -86.850
flat angles C4'-P-C4' energy: -78.132
flat angles P-C4'-P energy: -66.378
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -544.140520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.140520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.140520 (E_RNA)
where:
Base-Base interactions energy: -234.363
where: short stacking energy: -140.440
Base-Backbone interact. energy: -0.619
local terms energy: -309.158578
where:
bonds (distance) C4'-P energy: -104.493
bonds (distance) P-C4' energy: -96.617
flat angles C4'-P-C4' energy: -87.358
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: 7.834
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: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -467.996448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.996448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.996448 (E_RNA)
where:
Base-Base interactions energy: -170.664
where: short stacking energy: -136.287
Base-Backbone interact. energy: 2.038
local terms energy: -299.370229
where:
bonds (distance) C4'-P energy: -82.837
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -75.401
flat angles P-C4'-P energy: -64.065
tors. eta vs tors. theta energy: 16.871
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: 1, replica: 9
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1565.354618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.354618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.354618 (E_RNA)
where:
Base-Base interactions energy: -995.856
where: short stacking energy: -491.146
Base-Backbone interact. energy: -3.390
local terms energy: -566.108710
where:
bonds (distance) C4'-P energy: -121.067
bonds (distance) P-C4' energy: -123.588
flat angles C4'-P-C4' energy: -120.677
flat angles P-C4'-P energy: -73.575
tors. eta vs tors. theta energy: -127.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1277.976571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.976571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.976571 (E_RNA)
where:
Base-Base interactions energy: -767.089
where: short stacking energy: -411.941
Base-Backbone interact. energy: 0.593
local terms energy: -511.481122
where:
bonds (distance) C4'-P energy: -107.434
bonds (distance) P-C4' energy: -116.230
flat angles C4'-P-C4' energy: -128.009
flat angles P-C4'-P energy: -75.829
tors. eta vs tors. theta energy: -83.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1256.202523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.202523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.202523 (E_RNA)
where:
Base-Base interactions energy: -757.233
where: short stacking energy: -385.968
Base-Backbone interact. energy: -3.992
local terms energy: -494.977975
where:
bonds (distance) C4'-P energy: -107.129
bonds (distance) P-C4' energy: -117.711
flat angles C4'-P-C4' energy: -116.184
flat angles P-C4'-P energy: -65.906
tors. eta vs tors. theta energy: -88.048
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: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1104.866182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.866182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.866182 (E_RNA)
where:
Base-Base interactions energy: -639.423
where: short stacking energy: -351.151
Base-Backbone interact. energy: 4.106
local terms energy: -469.549102
where:
bonds (distance) C4'-P energy: -108.250
bonds (distance) P-C4' energy: -109.309
flat angles C4'-P-C4' energy: -113.076
flat angles P-C4'-P energy: -63.397
tors. eta vs tors. theta energy: -75.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1046.488718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.488718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.488718 (E_RNA)
where:
Base-Base interactions energy: -616.579
where: short stacking energy: -259.207
Base-Backbone interact. energy: 0.411
local terms energy: -430.320478
where:
bonds (distance) C4'-P energy: -115.131
bonds (distance) P-C4' energy: -91.093
flat angles C4'-P-C4' energy: -104.482
flat angles P-C4'-P energy: -78.570
tors. eta vs tors. theta energy: -41.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -786.958049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.958049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.958049 (E_RNA)
where:
Base-Base interactions energy: -371.568
where: short stacking energy: -234.977
Base-Backbone interact. energy: -3.340
local terms energy: -412.049476
where:
bonds (distance) C4'-P energy: -110.333
bonds (distance) P-C4' energy: -115.308
flat angles C4'-P-C4' energy: -100.917
flat angles P-C4'-P energy: -58.968
tors. eta vs tors. theta energy: -26.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -789.297975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.297975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.297975 (E_RNA)
where:
Base-Base interactions energy: -405.072
where: short stacking energy: -260.515
Base-Backbone interact. energy: -0.131
local terms energy: -384.094569
where:
bonds (distance) C4'-P energy: -99.114
bonds (distance) P-C4' energy: -94.252
flat angles C4'-P-C4' energy: -108.198
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -48.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -686.630330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.630330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.630330 (E_RNA)
where:
Base-Base interactions energy: -334.354
where: short stacking energy: -201.586
Base-Backbone interact. energy: 1.226
local terms energy: -353.502683
where:
bonds (distance) C4'-P energy: -99.793
bonds (distance) P-C4' energy: -94.692
flat angles C4'-P-C4' energy: -90.043
flat angles P-C4'-P energy: -48.739
tors. eta vs tors. theta energy: -20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -554.492981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.492981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.492981 (E_RNA)
where:
Base-Base interactions energy: -214.460
where: short stacking energy: -136.845
Base-Backbone interact. energy: 4.074
local terms energy: -344.107323
where:
bonds (distance) C4'-P energy: -99.027
bonds (distance) P-C4' energy: -99.384
flat angles C4'-P-C4' energy: -89.857
flat angles P-C4'-P energy: -55.036
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -475.819244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.819244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.819244 (E_RNA)
where:
Base-Base interactions energy: -174.561
where: short stacking energy: -149.064
Base-Backbone interact. energy: -1.162
local terms energy: -300.096470
where:
bonds (distance) C4'-P energy: -78.897
bonds (distance) P-C4' energy: -101.492
flat angles C4'-P-C4' energy: -78.230
flat angles P-C4'-P energy: -48.585
tors. eta vs tors. theta energy: 7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1591.573381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.573381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.573381 (E_RNA)
where:
Base-Base interactions energy: -1010.004
where: short stacking energy: -488.665
Base-Backbone interact. energy: -2.100
local terms energy: -579.469515
where:
bonds (distance) C4'-P energy: -103.217
bonds (distance) P-C4' energy: -130.370
flat angles C4'-P-C4' energy: -132.678
flat angles P-C4'-P energy: -90.638
tors. eta vs tors. theta energy: -122.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1423.393192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.393192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.393192 (E_RNA)
where:
Base-Base interactions energy: -873.572
where: short stacking energy: -436.758
Base-Backbone interact. energy: -1.551
local terms energy: -548.269761
where:
bonds (distance) C4'-P energy: -121.554
bonds (distance) P-C4' energy: -135.912
flat angles C4'-P-C4' energy: -110.644
flat angles P-C4'-P energy: -75.120
tors. eta vs tors. theta energy: -105.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1222.807511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.807511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.807511 (E_RNA)
where:
Base-Base interactions energy: -740.087
where: short stacking energy: -350.711
Base-Backbone interact. energy: 2.323
local terms energy: -485.043523
where:
bonds (distance) C4'-P energy: -111.797
bonds (distance) P-C4' energy: -113.885
flat angles C4'-P-C4' energy: -101.342
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -87.416
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: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1159.702317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.702317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.702317 (E_RNA)
where:
Base-Base interactions energy: -699.494
where: short stacking energy: -374.840
Base-Backbone interact. energy: -1.853
local terms energy: -458.354839
where:
bonds (distance) C4'-P energy: -107.224
bonds (distance) P-C4' energy: -98.805
flat angles C4'-P-C4' energy: -107.349
flat angles P-C4'-P energy: -71.936
tors. eta vs tors. theta energy: -73.041
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: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1188.349066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.349066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.349066 (E_RNA)
where:
Base-Base interactions energy: -723.863
where: short stacking energy: -347.619
Base-Backbone interact. energy: 2.313
local terms energy: -466.799409
where:
bonds (distance) C4'-P energy: -91.031
bonds (distance) P-C4' energy: -115.025
flat angles C4'-P-C4' energy: -117.875
flat angles P-C4'-P energy: -77.184
tors. eta vs tors. theta energy: -65.685
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: 6, replica: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -776.376857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.376857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.376857 (E_RNA)
where:
Base-Base interactions energy: -375.287
where: short stacking energy: -230.886
Base-Backbone interact. energy: 1.780
local terms energy: -402.869615
where:
bonds (distance) C4'-P energy: -100.101
bonds (distance) P-C4' energy: -107.185
flat angles C4'-P-C4' energy: -100.676
flat angles P-C4'-P energy: -71.515
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -780.930814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.930814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.930814 (E_RNA)
where:
Base-Base interactions energy: -397.369
where: short stacking energy: -213.048
Base-Backbone interact. energy: -2.694
local terms energy: -380.867590
where:
bonds (distance) C4'-P energy: -81.522
bonds (distance) P-C4' energy: -121.583
flat angles C4'-P-C4' energy: -103.378
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -666.127238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.127238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.127238 (E_RNA)
where:
Base-Base interactions energy: -298.473
where: short stacking energy: -172.357
Base-Backbone interact. energy: 2.256
local terms energy: -369.910210
where:
bonds (distance) C4'-P energy: -108.936
bonds (distance) P-C4' energy: -106.569
flat angles C4'-P-C4' energy: -92.222
flat angles P-C4'-P energy: -54.821
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -699.052316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.052316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.052316 (E_RNA)
where:
Base-Base interactions energy: -341.991
where: short stacking energy: -181.444
Base-Backbone interact. energy: 0.164
local terms energy: -357.225127
where:
bonds (distance) C4'-P energy: -83.829
bonds (distance) P-C4' energy: -106.810
flat angles C4'-P-C4' energy: -100.464
flat angles P-C4'-P energy: -60.712
tors. eta vs tors. theta energy: -5.410
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: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -469.453824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.453824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.453824 (E_RNA)
where:
Base-Base interactions energy: -174.318
where: short stacking energy: -141.990
Base-Backbone interact. energy: 1.062
local terms energy: -296.198012
where:
bonds (distance) C4'-P energy: -97.359
bonds (distance) P-C4' energy: -90.227
flat angles C4'-P-C4' energy: -70.819
flat angles P-C4'-P energy: -46.928
tors. eta vs tors. theta energy: 9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1662.313820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.313820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.313820 (E_RNA)
where:
Base-Base interactions energy: -1089.116
where: short stacking energy: -494.408
Base-Backbone interact. energy: -1.845
local terms energy: -571.352141
where:
bonds (distance) C4'-P energy: -120.521
bonds (distance) P-C4' energy: -110.535
flat angles C4'-P-C4' energy: -127.665
flat angles P-C4'-P energy: -73.729
tors. eta vs tors. theta energy: -138.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1465.293277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.293277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.293277 (E_RNA)
where:
Base-Base interactions energy: -922.330
where: short stacking energy: -401.080
Base-Backbone interact. energy: -0.120
local terms energy: -542.842837
where:
bonds (distance) C4'-P energy: -125.746
bonds (distance) P-C4' energy: -134.870
flat angles C4'-P-C4' energy: -110.180
flat angles P-C4'-P energy: -65.673
tors. eta vs tors. theta energy: -106.373
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: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1219.014114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.014114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.014114 (E_RNA)
where:
Base-Base interactions energy: -715.757
where: short stacking energy: -368.379
Base-Backbone interact. energy: -4.566
local terms energy: -498.691563
where:
bonds (distance) C4'-P energy: -104.841
bonds (distance) P-C4' energy: -114.448
flat angles C4'-P-C4' energy: -119.241
flat angles P-C4'-P energy: -60.776
tors. eta vs tors. theta energy: -99.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1226.156228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.156228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.156228 (E_RNA)
where:
Base-Base interactions energy: -735.158
where: short stacking energy: -359.501
Base-Backbone interact. energy: -2.807
local terms energy: -488.191836
where:
bonds (distance) C4'-P energy: -121.903
bonds (distance) P-C4' energy: -114.371
flat angles C4'-P-C4' energy: -103.462
flat angles P-C4'-P energy: -78.672
tors. eta vs tors. theta energy: -69.783
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: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1198.079930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.079930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.079930 (E_RNA)
where:
Base-Base interactions energy: -773.339
where: short stacking energy: -357.175
Base-Backbone interact. energy: -1.385
local terms energy: -423.355140
where:
bonds (distance) C4'-P energy: -105.838
bonds (distance) P-C4' energy: -83.782
flat angles C4'-P-C4' energy: -109.210
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: -67.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -802.618225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.618225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.618225 (E_RNA)
where:
Base-Base interactions energy: -389.981
where: short stacking energy: -235.938
Base-Backbone interact. energy: -2.463
local terms energy: -410.173924
where:
bonds (distance) C4'-P energy: -101.656
bonds (distance) P-C4' energy: -118.591
flat angles C4'-P-C4' energy: -99.350
flat angles P-C4'-P energy: -61.086
tors. eta vs tors. theta energy: -29.491
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: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -817.796046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.796046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.796046 (E_RNA)
where:
Base-Base interactions energy: -422.510
where: short stacking energy: -254.311
Base-Backbone interact. energy: -4.584
local terms energy: -390.701475
where:
bonds (distance) C4'-P energy: -92.778
bonds (distance) P-C4' energy: -100.138
flat angles C4'-P-C4' energy: -91.689
flat angles P-C4'-P energy: -68.191
tors. eta vs tors. theta energy: -37.906
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: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -620.689180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.689180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.689180 (E_RNA)
where:
Base-Base interactions energy: -281.143
where: short stacking energy: -168.319
Base-Backbone interact. energy: 2.748
local terms energy: -342.293591
where:
bonds (distance) C4'-P energy: -105.704
bonds (distance) P-C4' energy: -100.393
flat angles C4'-P-C4' energy: -86.526
flat angles P-C4'-P energy: -52.871
tors. eta vs tors. theta energy: 3.200
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: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -710.321324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.321324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.321324 (E_RNA)
where:
Base-Base interactions energy: -349.093
where: short stacking energy: -182.015
Base-Backbone interact. energy: 2.195
local terms energy: -363.424066
where:
bonds (distance) C4'-P energy: -100.498
bonds (distance) P-C4' energy: -113.344
flat angles C4'-P-C4' energy: -101.264
flat angles P-C4'-P energy: -46.561
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -471.000094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.000094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.000094 (E_RNA)
where:
Base-Base interactions energy: -159.274
where: short stacking energy: -141.167
Base-Backbone interact. energy: -3.118
local terms energy: -308.608408
where:
bonds (distance) C4'-P energy: -96.779
bonds (distance) P-C4' energy: -98.762
flat angles C4'-P-C4' energy: -77.974
flat angles P-C4'-P energy: -45.809
tors. eta vs tors. theta energy: 10.715
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: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1625.839228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.839228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.839228 (E_RNA)
where:
Base-Base interactions energy: -1052.864
where: short stacking energy: -474.895
Base-Backbone interact. energy: -1.709
local terms energy: -571.265655
where:
bonds (distance) C4'-P energy: -120.829
bonds (distance) P-C4' energy: -126.553
flat angles C4'-P-C4' energy: -129.274
flat angles P-C4'-P energy: -72.116
tors. eta vs tors. theta energy: -122.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1505.558459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.558459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.558459 (E_RNA)
where:
Base-Base interactions energy: -955.775
where: short stacking energy: -419.779
Base-Backbone interact. energy: -2.706
local terms energy: -547.077675
where:
bonds (distance) C4'-P energy: -116.009
bonds (distance) P-C4' energy: -121.295
flat angles C4'-P-C4' energy: -126.080
flat angles P-C4'-P energy: -81.095
tors. eta vs tors. theta energy: -102.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1214.036013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.036013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.036013 (E_RNA)
where:
Base-Base interactions energy: -715.784
where: short stacking energy: -383.404
Base-Backbone interact. energy: -1.538
local terms energy: -496.713788
where:
bonds (distance) C4'-P energy: -94.862
bonds (distance) P-C4' energy: -118.777
flat angles C4'-P-C4' energy: -101.632
flat angles P-C4'-P energy: -77.305
tors. eta vs tors. theta energy: -104.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1197.393930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.393930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.393930 (E_RNA)
where:
Base-Base interactions energy: -705.850
where: short stacking energy: -371.067
Base-Backbone interact. energy: 1.450
local terms energy: -492.994579
where:
bonds (distance) C4'-P energy: -100.001
bonds (distance) P-C4' energy: -106.691
flat angles C4'-P-C4' energy: -117.671
flat angles P-C4'-P energy: -81.218
tors. eta vs tors. theta energy: -87.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1178.982345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.982345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.982345 (E_RNA)
where:
Base-Base interactions energy: -728.046
where: short stacking energy: -319.798
Base-Backbone interact. energy: 2.779
local terms energy: -453.715259
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -95.786
flat angles C4'-P-C4' energy: -108.928
flat angles P-C4'-P energy: -66.133
tors. eta vs tors. theta energy: -71.136
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: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -888.124898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.124898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.124898 (E_RNA)
where:
Base-Base interactions energy: -471.223
where: short stacking energy: -270.004
Base-Backbone interact. energy: 1.038
local terms energy: -417.939451
where:
bonds (distance) C4'-P energy: -94.864
bonds (distance) P-C4' energy: -109.829
flat angles C4'-P-C4' energy: -102.218
flat angles P-C4'-P energy: -73.263
tors. eta vs tors. theta energy: -37.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -706.321660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.321660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.321660 (E_RNA)
where:
Base-Base interactions energy: -335.861
where: short stacking energy: -200.901
Base-Backbone interact. energy: -1.268
local terms energy: -369.192437
where:
bonds (distance) C4'-P energy: -88.565
bonds (distance) P-C4' energy: -110.651
flat angles C4'-P-C4' energy: -93.259
flat angles P-C4'-P energy: -62.581
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -728.755717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.755717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.755717 (E_RNA)
where:
Base-Base interactions energy: -412.283
where: short stacking energy: -216.208
Base-Backbone interact. energy: -1.587
local terms energy: -314.885753
where:
bonds (distance) C4'-P energy: -87.048
bonds (distance) P-C4' energy: -83.569
flat angles C4'-P-C4' energy: -94.725
flat angles P-C4'-P energy: -49.498
tors. eta vs tors. theta energy: -0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -601.299997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.299997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.299997 (E_RNA)
where:
Base-Base interactions energy: -237.565
where: short stacking energy: -168.887
Base-Backbone interact. energy: 4.305
local terms energy: -368.039140
where:
bonds (distance) C4'-P energy: -98.608
bonds (distance) P-C4' energy: -118.952
flat angles C4'-P-C4' energy: -89.205
flat angles P-C4'-P energy: -61.756
tors. eta vs tors. theta energy: 0.483
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: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -435.351232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.351232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.351232 (E_RNA)
where:
Base-Base interactions energy: -144.710
where: short stacking energy: -110.757
Base-Backbone interact. energy: -0.498
local terms energy: -290.143517
where:
bonds (distance) C4'-P energy: -99.778
bonds (distance) P-C4' energy: -105.376
flat angles C4'-P-C4' energy: -71.726
flat angles P-C4'-P energy: -45.348
tors. eta vs tors. theta energy: 32.085
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: 1, replica: 9
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1693.773239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.773239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.773239 (E_RNA)
where:
Base-Base interactions energy: -1110.426
where: short stacking energy: -481.305
Base-Backbone interact. energy: -3.306
local terms energy: -580.041327
where:
bonds (distance) C4'-P energy: -118.198
bonds (distance) P-C4' energy: -118.823
flat angles C4'-P-C4' energy: -124.930
flat angles P-C4'-P energy: -90.275
tors. eta vs tors. theta energy: -127.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1506.642361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.642361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.642361 (E_RNA)
where:
Base-Base interactions energy: -966.508
where: short stacking energy: -435.159
Base-Backbone interact. energy: -3.154
local terms energy: -536.980950
where:
bonds (distance) C4'-P energy: -121.761
bonds (distance) P-C4' energy: -112.969
flat angles C4'-P-C4' energy: -118.948
flat angles P-C4'-P energy: -73.359
tors. eta vs tors. theta energy: -109.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1329.610052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.610052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.610052 (E_RNA)
where:
Base-Base interactions energy: -818.387
where: short stacking energy: -436.117
Base-Backbone interact. energy: -0.463
local terms energy: -510.760201
where:
bonds (distance) C4'-P energy: -98.328
bonds (distance) P-C4' energy: -105.468
flat angles C4'-P-C4' energy: -124.715
flat angles P-C4'-P energy: -71.390
tors. eta vs tors. theta energy: -110.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1122.200776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.200776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.200776 (E_RNA)
where:
Base-Base interactions energy: -649.391
where: short stacking energy: -346.704
Base-Backbone interact. energy: 0.215
local terms energy: -473.024663
where:
bonds (distance) C4'-P energy: -110.398
bonds (distance) P-C4' energy: -116.624
flat angles C4'-P-C4' energy: -118.565
flat angles P-C4'-P energy: -43.116
tors. eta vs tors. theta energy: -84.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1242.110511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.110511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.110511 (E_RNA)
where:
Base-Base interactions energy: -781.820
where: short stacking energy: -357.089
Base-Backbone interact. energy: 0.866
local terms energy: -461.155649
where:
bonds (distance) C4'-P energy: -92.602
bonds (distance) P-C4' energy: -112.180
flat angles C4'-P-C4' energy: -103.788
flat angles P-C4'-P energy: -68.783
tors. eta vs tors. theta energy: -83.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -901.896126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.896126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.896126 (E_RNA)
where:
Base-Base interactions energy: -504.791
where: short stacking energy: -261.576
Base-Backbone interact. energy: -1.291
local terms energy: -395.813797
where:
bonds (distance) C4'-P energy: -109.514
bonds (distance) P-C4' energy: -110.821
flat angles C4'-P-C4' energy: -86.416
flat angles P-C4'-P energy: -51.247
tors. eta vs tors. theta energy: -37.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -896.365280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.365280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.365280 (E_RNA)
where:
Base-Base interactions energy: -487.505
where: short stacking energy: -256.948
Base-Backbone interact. energy: 2.064
local terms energy: -410.923916
where:
bonds (distance) C4'-P energy: -98.878
bonds (distance) P-C4' energy: -107.819
flat angles C4'-P-C4' energy: -95.022
flat angles P-C4'-P energy: -63.710
tors. eta vs tors. theta energy: -45.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -665.738802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.738802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.738802 (E_RNA)
where:
Base-Base interactions energy: -294.423
where: short stacking energy: -204.223
Base-Backbone interact. energy: 1.828
local terms energy: -373.143076
where:
bonds (distance) C4'-P energy: -101.841
bonds (distance) P-C4' energy: -108.560
flat angles C4'-P-C4' energy: -78.023
flat angles P-C4'-P energy: -63.618
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -552.131190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.131190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.131190 (E_RNA)
where:
Base-Base interactions energy: -220.737
where: short stacking energy: -135.290
Base-Backbone interact. energy: -1.456
local terms energy: -329.938194
where:
bonds (distance) C4'-P energy: -91.503
bonds (distance) P-C4' energy: -106.882
flat angles C4'-P-C4' energy: -90.137
flat angles P-C4'-P energy: -49.962
tors. eta vs tors. theta energy: 8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -451.268218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.268218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.268218 (E_RNA)
where:
Base-Base interactions energy: -146.762
where: short stacking energy: -114.607
Base-Backbone interact. energy: -0.159
local terms energy: -304.347906
where:
bonds (distance) C4'-P energy: -98.489
bonds (distance) P-C4' energy: -91.464
flat angles C4'-P-C4' energy: -91.037
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: 18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1664.895517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.895517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.895517 (E_RNA)
where:
Base-Base interactions energy: -1110.498
where: short stacking energy: -510.467
Base-Backbone interact. energy: -3.395
local terms energy: -551.002207
where:
bonds (distance) C4'-P energy: -98.926
bonds (distance) P-C4' energy: -119.307
flat angles C4'-P-C4' energy: -118.303
flat angles P-C4'-P energy: -86.196
tors. eta vs tors. theta energy: -128.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1515.820592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.820592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.820592 (E_RNA)
where:
Base-Base interactions energy: -979.432
where: short stacking energy: -426.292
Base-Backbone interact. energy: -1.001
local terms energy: -535.387256
where:
bonds (distance) C4'-P energy: -118.059
bonds (distance) P-C4' energy: -109.336
flat angles C4'-P-C4' energy: -122.052
flat angles P-C4'-P energy: -78.003
tors. eta vs tors. theta energy: -107.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1334.398777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.398777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.398777 (E_RNA)
where:
Base-Base interactions energy: -799.547
where: short stacking energy: -428.389
Base-Backbone interact. energy: -2.006
local terms energy: -532.845772
where:
bonds (distance) C4'-P energy: -109.935
bonds (distance) P-C4' energy: -111.478
flat angles C4'-P-C4' energy: -120.805
flat angles P-C4'-P energy: -82.661
tors. eta vs tors. theta energy: -107.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1318.403544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.403544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.403544 (E_RNA)
where:
Base-Base interactions energy: -817.708
where: short stacking energy: -413.103
Base-Backbone interact. energy: -0.798
local terms energy: -499.897633
where:
bonds (distance) C4'-P energy: -114.178
bonds (distance) P-C4' energy: -108.667
flat angles C4'-P-C4' energy: -123.051
flat angles P-C4'-P energy: -63.063
tors. eta vs tors. theta energy: -90.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1087.399974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.399974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.399974 (E_RNA)
where:
Base-Base interactions energy: -636.980
where: short stacking energy: -309.676
Base-Backbone interact. energy: 1.316
local terms energy: -451.735673
where:
bonds (distance) C4'-P energy: -103.310
bonds (distance) P-C4' energy: -116.674
flat angles C4'-P-C4' energy: -89.867
flat angles P-C4'-P energy: -72.529
tors. eta vs tors. theta energy: -69.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -967.711586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.711586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.711586 (E_RNA)
where:
Base-Base interactions energy: -536.289
where: short stacking energy: -304.243
Base-Backbone interact. energy: -2.229
local terms energy: -429.193578
where:
bonds (distance) C4'-P energy: -111.966
bonds (distance) P-C4' energy: -108.457
flat angles C4'-P-C4' energy: -98.441
flat angles P-C4'-P energy: -54.994
tors. eta vs tors. theta energy: -55.336
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: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -835.081259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.081259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.081259 (E_RNA)
where:
Base-Base interactions energy: -420.281
where: short stacking energy: -235.454
Base-Backbone interact. energy: 2.593
local terms energy: -417.393290
where:
bonds (distance) C4'-P energy: -120.179
bonds (distance) P-C4' energy: -125.260
flat angles C4'-P-C4' energy: -106.160
flat angles P-C4'-P energy: -44.339
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -598.444359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.444359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.444359 (E_RNA)
where:
Base-Base interactions energy: -237.745
where: short stacking energy: -148.237
Base-Backbone interact. energy: 0.300
local terms energy: -360.999166
where:
bonds (distance) C4'-P energy: -100.003
bonds (distance) P-C4' energy: -105.490
flat angles C4'-P-C4' energy: -99.832
flat angles P-C4'-P energy: -60.511
tors. eta vs tors. theta energy: 4.838
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: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -569.037911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.037911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.037911 (E_RNA)
where:
Base-Base interactions energy: -270.739
where: short stacking energy: -166.378
Base-Backbone interact. energy: 3.313
local terms energy: -301.611738
where:
bonds (distance) C4'-P energy: -91.082
bonds (distance) P-C4' energy: -74.605
flat angles C4'-P-C4' energy: -98.694
flat angles P-C4'-P energy: -33.675
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -436.598116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.598116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.598116 (E_RNA)
where:
Base-Base interactions energy: -148.637
where: short stacking energy: -127.761
Base-Backbone interact. energy: 0.796
local terms energy: -288.756496
where:
bonds (distance) C4'-P energy: -88.069
bonds (distance) P-C4' energy: -96.123
flat angles C4'-P-C4' energy: -64.116
flat angles P-C4'-P energy: -49.905
tors. eta vs tors. theta energy: 9.457
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: 1, replica: 9
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1664.122420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.122420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.122420 (E_RNA)
where:
Base-Base interactions energy: -1097.454
where: short stacking energy: -477.121
Base-Backbone interact. energy: -3.539
local terms energy: -563.128846
where:
bonds (distance) C4'-P energy: -109.745
bonds (distance) P-C4' energy: -113.981
flat angles C4'-P-C4' energy: -134.046
flat angles P-C4'-P energy: -75.995
tors. eta vs tors. theta energy: -129.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1561.069565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.069565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.069565 (E_RNA)
where:
Base-Base interactions energy: -1009.262
where: short stacking energy: -448.796
Base-Backbone interact. energy: -4.586
local terms energy: -547.221263
where:
bonds (distance) C4'-P energy: -116.450
bonds (distance) P-C4' energy: -119.652
flat angles C4'-P-C4' energy: -116.618
flat angles P-C4'-P energy: -76.529
tors. eta vs tors. theta energy: -117.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1380.660696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.660696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.660696 (E_RNA)
where:
Base-Base interactions energy: -856.050
where: short stacking energy: -405.909
Base-Backbone interact. energy: 0.275
local terms energy: -524.885557
where:
bonds (distance) C4'-P energy: -125.218
bonds (distance) P-C4' energy: -113.279
flat angles C4'-P-C4' energy: -113.981
flat angles P-C4'-P energy: -75.148
tors. eta vs tors. theta energy: -97.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1215.436688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.436688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.436688 (E_RNA)
where:
Base-Base interactions energy: -715.009
where: short stacking energy: -364.045
Base-Backbone interact. energy: -2.368
local terms energy: -498.060224
where:
bonds (distance) C4'-P energy: -115.209
bonds (distance) P-C4' energy: -97.557
flat angles C4'-P-C4' energy: -127.705
flat angles P-C4'-P energy: -66.474
tors. eta vs tors. theta energy: -91.116
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: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1096.173583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.173583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.173583 (E_RNA)
where:
Base-Base interactions energy: -649.169
where: short stacking energy: -323.904
Base-Backbone interact. energy: -1.688
local terms energy: -445.317058
where:
bonds (distance) C4'-P energy: -87.537
bonds (distance) P-C4' energy: -119.665
flat angles C4'-P-C4' energy: -116.663
flat angles P-C4'-P energy: -54.486
tors. eta vs tors. theta energy: -66.966
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: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -965.379441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.379441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.379441 (E_RNA)
where:
Base-Base interactions energy: -536.444
where: short stacking energy: -274.941
Base-Backbone interact. energy: -2.271
local terms energy: -426.664086
where:
bonds (distance) C4'-P energy: -107.403
bonds (distance) P-C4' energy: -112.913
flat angles C4'-P-C4' energy: -89.848
flat angles P-C4'-P energy: -67.134
tors. eta vs tors. theta energy: -49.365
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: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -824.045430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.045430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.045430 (E_RNA)
where:
Base-Base interactions energy: -440.419
where: short stacking energy: -241.727
Base-Backbone interact. energy: -1.833
local terms energy: -381.793356
where:
bonds (distance) C4'-P energy: -90.011
bonds (distance) P-C4' energy: -100.538
flat angles C4'-P-C4' energy: -90.177
flat angles P-C4'-P energy: -67.307
tors. eta vs tors. theta energy: -33.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -653.327991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.327991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.327991 (E_RNA)
where:
Base-Base interactions energy: -293.600
where: short stacking energy: -205.162
Base-Backbone interact. energy: -1.191
local terms energy: -358.537104
where:
bonds (distance) C4'-P energy: -98.697
bonds (distance) P-C4' energy: -104.391
flat angles C4'-P-C4' energy: -78.697
flat angles P-C4'-P energy: -59.479
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -590.089478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.089478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.089478 (E_RNA)
where:
Base-Base interactions energy: -252.574
where: short stacking energy: -146.188
Base-Backbone interact. energy: 0.864
local terms energy: -338.379049
where:
bonds (distance) C4'-P energy: -108.022
bonds (distance) P-C4' energy: -109.855
flat angles C4'-P-C4' energy: -69.082
flat angles P-C4'-P energy: -55.664
tors. eta vs tors. theta energy: 4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -466.084910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.084910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.084910 (E_RNA)
where:
Base-Base interactions energy: -179.347
where: short stacking energy: -135.326
Base-Backbone interact. energy: -1.373
local terms energy: -285.364436
where:
bonds (distance) C4'-P energy: -89.088
bonds (distance) P-C4' energy: -102.524
flat angles C4'-P-C4' energy: -73.051
flat angles P-C4'-P energy: -44.066
tors. eta vs tors. theta energy: 23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1697.768309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.768309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.768309 (E_RNA)
where:
Base-Base interactions energy: -1130.106
where: short stacking energy: -463.832
Base-Backbone interact. energy: -2.225
local terms energy: -565.437858
where:
bonds (distance) C4'-P energy: -113.975
bonds (distance) P-C4' energy: -119.217
flat angles C4'-P-C4' energy: -119.709
flat angles P-C4'-P energy: -79.291
tors. eta vs tors. theta energy: -133.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1560.448807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.448807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.448807 (E_RNA)
where:
Base-Base interactions energy: -1027.382
where: short stacking energy: -448.092
Base-Backbone interact. energy: 0.958
local terms energy: -534.024975
where:
bonds (distance) C4'-P energy: -105.406
bonds (distance) P-C4' energy: -108.748
flat angles C4'-P-C4' energy: -113.074
flat angles P-C4'-P energy: -82.980
tors. eta vs tors. theta energy: -123.818
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: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1377.377974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.377974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.377974 (E_RNA)
where:
Base-Base interactions energy: -862.945
where: short stacking energy: -408.247
Base-Backbone interact. energy: 2.035
local terms energy: -516.467408
where:
bonds (distance) C4'-P energy: -111.774
bonds (distance) P-C4' energy: -124.269
flat angles C4'-P-C4' energy: -112.970
flat angles P-C4'-P energy: -74.782
tors. eta vs tors. theta energy: -92.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1222.580969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.580969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.580969 (E_RNA)
where:
Base-Base interactions energy: -757.173
where: short stacking energy: -370.278
Base-Backbone interact. energy: 4.022
local terms energy: -469.429581
where:
bonds (distance) C4'-P energy: -99.169
bonds (distance) P-C4' energy: -108.935
flat angles C4'-P-C4' energy: -109.776
flat angles P-C4'-P energy: -66.590
tors. eta vs tors. theta energy: -84.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1035.948142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.948142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.948142 (E_RNA)
where:
Base-Base interactions energy: -624.786
where: short stacking energy: -310.551
Base-Backbone interact. energy: 9.406
local terms energy: -420.568024
where:
bonds (distance) C4'-P energy: -96.712
bonds (distance) P-C4' energy: -104.689
flat angles C4'-P-C4' energy: -102.698
flat angles P-C4'-P energy: -59.711
tors. eta vs tors. theta energy: -56.759
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: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -978.557932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.557932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.557932 (E_RNA)
where:
Base-Base interactions energy: -558.868
where: short stacking energy: -263.997
Base-Backbone interact. energy: -1.237
local terms energy: -418.452973
where:
bonds (distance) C4'-P energy: -99.045
bonds (distance) P-C4' energy: -107.288
flat angles C4'-P-C4' energy: -106.179
flat angles P-C4'-P energy: -52.443
tors. eta vs tors. theta energy: -53.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -905.610690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.610690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.610690 (E_RNA)
where:
Base-Base interactions energy: -499.685
where: short stacking energy: -233.201
Base-Backbone interact. energy: -3.022
local terms energy: -402.903871
where:
bonds (distance) C4'-P energy: -102.298
bonds (distance) P-C4' energy: -113.593
flat angles C4'-P-C4' energy: -87.442
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -29.867
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: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -609.920850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.920850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.920850 (E_RNA)
where:
Base-Base interactions energy: -252.599
where: short stacking energy: -163.704
Base-Backbone interact. energy: -2.030
local terms energy: -355.292588
where:
bonds (distance) C4'-P energy: -97.122
bonds (distance) P-C4' energy: -105.097
flat angles C4'-P-C4' energy: -108.116
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: 14.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -683.772384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.772384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.772384 (E_RNA)
where:
Base-Base interactions energy: -352.479
where: short stacking energy: -181.840
Base-Backbone interact. energy: -4.218
local terms energy: -327.074800
where:
bonds (distance) C4'-P energy: -86.664
bonds (distance) P-C4' energy: -102.500
flat angles C4'-P-C4' energy: -90.974
flat angles P-C4'-P energy: -51.871
tors. eta vs tors. theta energy: 4.935
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: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -426.697613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.697613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.697613 (E_RNA)
where:
Base-Base interactions energy: -136.676
where: short stacking energy: -124.568
Base-Backbone interact. energy: 1.579
local terms energy: -291.600137
where:
bonds (distance) C4'-P energy: -95.209
bonds (distance) P-C4' energy: -97.469
flat angles C4'-P-C4' energy: -65.277
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: 11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1696.758719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.758719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.758719 (E_RNA)
where:
Base-Base interactions energy: -1137.774
where: short stacking energy: -475.261
Base-Backbone interact. energy: -2.580
local terms energy: -556.404597
where:
bonds (distance) C4'-P energy: -107.250
bonds (distance) P-C4' energy: -109.030
flat angles C4'-P-C4' energy: -131.520
flat angles P-C4'-P energy: -75.180
tors. eta vs tors. theta energy: -133.425
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: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1562.406348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.406348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.406348 (E_RNA)
where:
Base-Base interactions energy: -1011.570
where: short stacking energy: -441.325
Base-Backbone interact. energy: -1.682
local terms energy: -549.153413
where:
bonds (distance) C4'-P energy: -108.488
bonds (distance) P-C4' energy: -113.998
flat angles C4'-P-C4' energy: -120.992
flat angles P-C4'-P energy: -76.481
tors. eta vs tors. theta energy: -129.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1340.215673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.215673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.215673 (E_RNA)
where:
Base-Base interactions energy: -840.868
where: short stacking energy: -396.126
Base-Backbone interact. energy: -0.284
local terms energy: -499.064487
where:
bonds (distance) C4'-P energy: -90.842
bonds (distance) P-C4' energy: -129.053
flat angles C4'-P-C4' energy: -120.044
flat angles P-C4'-P energy: -74.130
tors. eta vs tors. theta energy: -84.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1217.788420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.788420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.788420 (E_RNA)
where:
Base-Base interactions energy: -742.646
where: short stacking energy: -375.295
Base-Backbone interact. energy: 0.986
local terms energy: -476.128036
where:
bonds (distance) C4'-P energy: -104.688
bonds (distance) P-C4' energy: -106.779
flat angles C4'-P-C4' energy: -108.121
flat angles P-C4'-P energy: -75.570
tors. eta vs tors. theta energy: -80.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1109.386615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.386615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.386615 (E_RNA)
where:
Base-Base interactions energy: -671.572
where: short stacking energy: -339.649
Base-Backbone interact. energy: 1.038
local terms energy: -438.852929
where:
bonds (distance) C4'-P energy: -107.238
bonds (distance) P-C4' energy: -98.887
flat angles C4'-P-C4' energy: -118.866
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -61.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -971.252633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.252633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.252633 (E_RNA)
where:
Base-Base interactions energy: -566.414
where: short stacking energy: -292.552
Base-Backbone interact. energy: -3.278
local terms energy: -401.561267
where:
bonds (distance) C4'-P energy: -92.184
bonds (distance) P-C4' energy: -110.000
flat angles C4'-P-C4' energy: -85.039
flat angles P-C4'-P energy: -62.881
tors. eta vs tors. theta energy: -51.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -854.296335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.296335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.296335 (E_RNA)
where:
Base-Base interactions energy: -490.358
where: short stacking energy: -257.189
Base-Backbone interact. energy: -0.830
local terms energy: -363.109287
where:
bonds (distance) C4'-P energy: -69.756
bonds (distance) P-C4' energy: -102.921
flat angles C4'-P-C4' energy: -106.381
flat angles P-C4'-P energy: -55.477
tors. eta vs tors. theta energy: -28.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -657.910641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.910641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.910641 (E_RNA)
where:
Base-Base interactions energy: -271.627
where: short stacking energy: -185.931
Base-Backbone interact. energy: -0.481
local terms energy: -385.801952
where:
bonds (distance) C4'-P energy: -105.795
bonds (distance) P-C4' energy: -90.346
flat angles C4'-P-C4' energy: -110.311
flat angles P-C4'-P energy: -54.761
tors. eta vs tors. theta energy: -24.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -705.892704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.892704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.892704 (E_RNA)
where:
Base-Base interactions energy: -361.257
where: short stacking energy: -189.192
Base-Backbone interact. energy: -0.439
local terms energy: -344.196410
where:
bonds (distance) C4'-P energy: -94.353
bonds (distance) P-C4' energy: -98.379
flat angles C4'-P-C4' energy: -75.774
flat angles P-C4'-P energy: -64.805
tors. eta vs tors. theta energy: -10.885
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: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -458.007694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.007694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.007694 (E_RNA)
where:
Base-Base interactions energy: -162.647
where: short stacking energy: -139.058
Base-Backbone interact. energy: 0.441
local terms energy: -295.801478
where:
bonds (distance) C4'-P energy: -93.971
bonds (distance) P-C4' energy: -89.720
flat angles C4'-P-C4' energy: -82.934
flat angles P-C4'-P energy: -54.673
tors. eta vs tors. theta energy: 25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1701.879749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.879749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.879749 (E_RNA)
where:
Base-Base interactions energy: -1127.924
where: short stacking energy: -489.945
Base-Backbone interact. energy: 1.266
local terms energy: -575.221701
where:
bonds (distance) C4'-P energy: -106.171
bonds (distance) P-C4' energy: -113.249
flat angles C4'-P-C4' energy: -124.474
flat angles P-C4'-P energy: -99.727
tors. eta vs tors. theta energy: -131.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1613.865221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.865221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.865221 (E_RNA)
where:
Base-Base interactions energy: -1048.003
where: short stacking energy: -484.363
Base-Backbone interact. energy: -3.364
local terms energy: -562.497899
where:
bonds (distance) C4'-P energy: -113.324
bonds (distance) P-C4' energy: -101.520
flat angles C4'-P-C4' energy: -126.193
flat angles P-C4'-P energy: -74.414
tors. eta vs tors. theta energy: -147.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1338.803495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.803495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.803495 (E_RNA)
where:
Base-Base interactions energy: -870.375
where: short stacking energy: -413.761
Base-Backbone interact. energy: 3.556
local terms energy: -471.983951
where:
bonds (distance) C4'-P energy: -86.250
bonds (distance) P-C4' energy: -118.603
flat angles C4'-P-C4' energy: -117.436
flat angles P-C4'-P energy: -55.665
tors. eta vs tors. theta energy: -94.030
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: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1310.299004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.299004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.299004 (E_RNA)
where:
Base-Base interactions energy: -800.796
where: short stacking energy: -390.752
Base-Backbone interact. energy: -0.822
local terms energy: -508.680824
where:
bonds (distance) C4'-P energy: -121.555
bonds (distance) P-C4' energy: -103.956
flat angles C4'-P-C4' energy: -116.959
flat angles P-C4'-P energy: -71.548
tors. eta vs tors. theta energy: -94.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1145.169243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.169243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.169243 (E_RNA)
where:
Base-Base interactions energy: -699.523
where: short stacking energy: -328.900
Base-Backbone interact. energy: 0.170
local terms energy: -445.816608
where:
bonds (distance) C4'-P energy: -104.064
bonds (distance) P-C4' energy: -117.755
flat angles C4'-P-C4' energy: -99.113
flat angles P-C4'-P energy: -69.563
tors. eta vs tors. theta energy: -55.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -938.371018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.371018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.371018 (E_RNA)
where:
Base-Base interactions energy: -489.310
where: short stacking energy: -255.099
Base-Backbone interact. energy: 0.872
local terms energy: -449.932992
where:
bonds (distance) C4'-P energy: -104.724
bonds (distance) P-C4' energy: -131.425
flat angles C4'-P-C4' energy: -101.587
flat angles P-C4'-P energy: -66.956
tors. eta vs tors. theta energy: -45.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -800.451107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.451107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.451107 (E_RNA)
where:
Base-Base interactions energy: -405.488
where: short stacking energy: -225.836
Base-Backbone interact. energy: -2.688
local terms energy: -392.275403
where:
bonds (distance) C4'-P energy: -96.035
bonds (distance) P-C4' energy: -101.925
flat angles C4'-P-C4' energy: -101.989
flat angles P-C4'-P energy: -54.900
tors. eta vs tors. theta energy: -37.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -720.436733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.436733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.436733 (E_RNA)
where:
Base-Base interactions energy: -366.619
where: short stacking energy: -222.115
Base-Backbone interact. energy: -2.443
local terms energy: -351.374358
where:
bonds (distance) C4'-P energy: -78.555
bonds (distance) P-C4' energy: -103.518
flat angles C4'-P-C4' energy: -90.701
flat angles P-C4'-P energy: -57.731
tors. eta vs tors. theta energy: -20.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -678.524526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.524526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.524526 (E_RNA)
where:
Base-Base interactions energy: -341.660
where: short stacking energy: -189.854
Base-Backbone interact. energy: -2.525
local terms energy: -334.339428
where:
bonds (distance) C4'-P energy: -95.394
bonds (distance) P-C4' energy: -72.898
flat angles C4'-P-C4' energy: -99.352
flat angles P-C4'-P energy: -61.791
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -471.684087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.684087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.684087 (E_RNA)
where:
Base-Base interactions energy: -190.498
where: short stacking energy: -134.907
Base-Backbone interact. energy: 4.799
local terms energy: -285.984738
where:
bonds (distance) C4'-P energy: -92.858
bonds (distance) P-C4' energy: -88.820
flat angles C4'-P-C4' energy: -81.020
flat angles P-C4'-P energy: -29.963
tors. eta vs tors. theta energy: 6.676
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: 1, replica: 9
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1697.752077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.752077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.752077 (E_RNA)
where:
Base-Base interactions energy: -1112.325
where: short stacking energy: -446.630
Base-Backbone interact. energy: -2.208
local terms energy: -583.218783
where:
bonds (distance) C4'-P energy: -114.371
bonds (distance) P-C4' energy: -129.321
flat angles C4'-P-C4' energy: -125.302
flat angles P-C4'-P energy: -91.540
tors. eta vs tors. theta energy: -122.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1583.323640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.323640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.323640 (E_RNA)
where:
Base-Base interactions energy: -1047.516
where: short stacking energy: -461.868
Base-Backbone interact. energy: 3.082
local terms energy: -538.890177
where:
bonds (distance) C4'-P energy: -109.010
bonds (distance) P-C4' energy: -109.761
flat angles C4'-P-C4' energy: -115.354
flat angles P-C4'-P energy: -78.408
tors. eta vs tors. theta energy: -126.357
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: 22
Temperature: 1.000000
Total energy: -1346.970324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.970324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.970324 (E_RNA)
where:
Base-Base interactions energy: -840.769
where: short stacking energy: -406.683
Base-Backbone interact. energy: -3.917
local terms energy: -502.284688
where:
bonds (distance) C4'-P energy: -117.425
bonds (distance) P-C4' energy: -107.237
flat angles C4'-P-C4' energy: -118.315
flat angles P-C4'-P energy: -61.132
tors. eta vs tors. theta energy: -98.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1311.171589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.171589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.171589 (E_RNA)
where:
Base-Base interactions energy: -824.554
where: short stacking energy: -390.373
Base-Backbone interact. energy: -2.790
local terms energy: -483.827686
where:
bonds (distance) C4'-P energy: -109.331
bonds (distance) P-C4' energy: -106.217
flat angles C4'-P-C4' energy: -117.667
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -78.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1267.040816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.040816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.040816 (E_RNA)
where:
Base-Base interactions energy: -786.741
where: short stacking energy: -360.735
Base-Backbone interact. energy: -2.333
local terms energy: -477.966851
where:
bonds (distance) C4'-P energy: -112.825
bonds (distance) P-C4' energy: -112.903
flat angles C4'-P-C4' energy: -100.115
flat angles P-C4'-P energy: -52.590
tors. eta vs tors. theta energy: -99.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -964.911059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.911059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.911059 (E_RNA)
where:
Base-Base interactions energy: -569.040
where: short stacking energy: -287.483
Base-Backbone interact. energy: 2.145
local terms energy: -398.015665
where:
bonds (distance) C4'-P energy: -91.778
bonds (distance) P-C4' energy: -93.203
flat angles C4'-P-C4' energy: -101.412
flat angles P-C4'-P energy: -64.214
tors. eta vs tors. theta energy: -47.409
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: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -840.932167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.932167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.932167 (E_RNA)
where:
Base-Base interactions energy: -450.743
where: short stacking energy: -245.476
Base-Backbone interact. energy: -3.552
local terms energy: -386.637198
where:
bonds (distance) C4'-P energy: -94.990
bonds (distance) P-C4' energy: -102.421
flat angles C4'-P-C4' energy: -103.949
flat angles P-C4'-P energy: -57.284
tors. eta vs tors. theta energy: -27.993
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: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -705.695021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.695021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.695021 (E_RNA)
where:
Base-Base interactions energy: -344.537
where: short stacking energy: -195.683
Base-Backbone interact. energy: -2.979
local terms energy: -358.179060
where:
bonds (distance) C4'-P energy: -93.868
bonds (distance) P-C4' energy: -112.223
flat angles C4'-P-C4' energy: -88.295
flat angles P-C4'-P energy: -51.857
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -668.539920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.539920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.539920 (E_RNA)
where:
Base-Base interactions energy: -358.948
where: short stacking energy: -180.083
Base-Backbone interact. energy: -1.301
local terms energy: -308.291084
where:
bonds (distance) C4'-P energy: -85.267
bonds (distance) P-C4' energy: -103.918
flat angles C4'-P-C4' energy: -80.567
flat angles P-C4'-P energy: -40.051
tors. eta vs tors. theta energy: 1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -465.710137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.710137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.710137 (E_RNA)
where:
Base-Base interactions energy: -173.632
where: short stacking energy: -128.903
Base-Backbone interact. energy: 8.184
local terms energy: -300.262454
where:
bonds (distance) C4'-P energy: -90.956
bonds (distance) P-C4' energy: -113.358
flat angles C4'-P-C4' energy: -74.128
flat angles P-C4'-P energy: -48.169
tors. eta vs tors. theta energy: 26.350
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: 1, replica: 9
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1733.058346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.058346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.058346 (E_RNA)
where:
Base-Base interactions energy: -1162.121
where: short stacking energy: -478.711
Base-Backbone interact. energy: -0.388
local terms energy: -570.548641
where:
bonds (distance) C4'-P energy: -116.293
bonds (distance) P-C4' energy: -109.902
flat angles C4'-P-C4' energy: -125.306
flat angles P-C4'-P energy: -81.075
tors. eta vs tors. theta energy: -137.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1609.387447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.387447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.387447 (E_RNA)
where:
Base-Base interactions energy: -1043.894
where: short stacking energy: -445.470
Base-Backbone interact. energy: -3.709
local terms energy: -561.784780
where:
bonds (distance) C4'-P energy: -118.884
bonds (distance) P-C4' energy: -128.286
flat angles C4'-P-C4' energy: -120.237
flat angles P-C4'-P energy: -81.097
tors. eta vs tors. theta energy: -113.281
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: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1412.792003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.792003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.792003 (E_RNA)
where:
Base-Base interactions energy: -897.592
where: short stacking energy: -418.136
Base-Backbone interact. energy: 0.115
local terms energy: -515.314448
where:
bonds (distance) C4'-P energy: -110.892
bonds (distance) P-C4' energy: -111.991
flat angles C4'-P-C4' energy: -107.996
flat angles P-C4'-P energy: -85.199
tors. eta vs tors. theta energy: -99.237
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: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1339.771721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.771721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.771721 (E_RNA)
where:
Base-Base interactions energy: -852.803
where: short stacking energy: -391.158
Base-Backbone interact. energy: -2.776
local terms energy: -484.193213
where:
bonds (distance) C4'-P energy: -106.168
bonds (distance) P-C4' energy: -119.760
flat angles C4'-P-C4' energy: -107.946
flat angles P-C4'-P energy: -63.830
tors. eta vs tors. theta energy: -86.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1286.512741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.512741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.512741 (E_RNA)
where:
Base-Base interactions energy: -799.239
where: short stacking energy: -365.729
Base-Backbone interact. energy: -0.781
local terms energy: -486.493044
where:
bonds (distance) C4'-P energy: -97.509
bonds (distance) P-C4' energy: -120.340
flat angles C4'-P-C4' energy: -100.416
flat angles P-C4'-P energy: -81.801
tors. eta vs tors. theta energy: -86.427
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: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1014.335513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.335513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.335513 (E_RNA)
where:
Base-Base interactions energy: -581.585
where: short stacking energy: -303.966
Base-Backbone interact. energy: -0.402
local terms energy: -432.348780
where:
bonds (distance) C4'-P energy: -103.743
bonds (distance) P-C4' energy: -110.960
flat angles C4'-P-C4' energy: -103.167
flat angles P-C4'-P energy: -63.722
tors. eta vs tors. theta energy: -50.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -782.624497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.624497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.624497 (E_RNA)
where:
Base-Base interactions energy: -383.011
where: short stacking energy: -244.777
Base-Backbone interact. energy: 1.449
local terms energy: -401.062147
where:
bonds (distance) C4'-P energy: -95.307
bonds (distance) P-C4' energy: -99.411
flat angles C4'-P-C4' energy: -104.833
flat angles P-C4'-P energy: -76.170
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -744.494714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.494714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.494714 (E_RNA)
where:
Base-Base interactions energy: -359.952
where: short stacking energy: -207.801
Base-Backbone interact. energy: -1.799
local terms energy: -382.743851
where:
bonds (distance) C4'-P energy: -109.939
bonds (distance) P-C4' energy: -104.640
flat angles C4'-P-C4' energy: -85.192
flat angles P-C4'-P energy: -59.615
tors. eta vs tors. theta energy: -23.358
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: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -529.227018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.227018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.227018 (E_RNA)
where:
Base-Base interactions energy: -181.476
where: short stacking energy: -134.444
Base-Backbone interact. energy: -1.327
local terms energy: -346.423877
where:
bonds (distance) C4'-P energy: -104.786
bonds (distance) P-C4' energy: -102.487
flat angles C4'-P-C4' energy: -84.955
flat angles P-C4'-P energy: -51.393
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -498.672388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.672388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.672388 (E_RNA)
where:
Base-Base interactions energy: -178.380
where: short stacking energy: -159.065
Base-Backbone interact. energy: -2.125
local terms energy: -318.167346
where:
bonds (distance) C4'-P energy: -94.006
bonds (distance) P-C4' energy: -102.972
flat angles C4'-P-C4' energy: -79.597
flat angles P-C4'-P energy: -53.004
tors. eta vs tors. theta energy: 11.412
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: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1752.024642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.024642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.024642 (E_RNA)
where:
Base-Base interactions energy: -1167.854
where: short stacking energy: -504.823
Base-Backbone interact. energy: -1.647
local terms energy: -582.522999
where:
bonds (distance) C4'-P energy: -114.789
bonds (distance) P-C4' energy: -126.633
flat angles C4'-P-C4' energy: -125.083
flat angles P-C4'-P energy: -85.750
tors. eta vs tors. theta energy: -130.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1596.353424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.353424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.353424 (E_RNA)
where:
Base-Base interactions energy: -1012.778
where: short stacking energy: -467.965
Base-Backbone interact. energy: -4.807
local terms energy: -578.768482
where:
bonds (distance) C4'-P energy: -120.481
bonds (distance) P-C4' energy: -127.031
flat angles C4'-P-C4' energy: -129.951
flat angles P-C4'-P energy: -67.883
tors. eta vs tors. theta energy: -133.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1389.593826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.593826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.593826 (E_RNA)
where:
Base-Base interactions energy: -872.869
where: short stacking energy: -426.981
Base-Backbone interact. energy: 1.045
local terms energy: -517.769859
where:
bonds (distance) C4'-P energy: -100.434
bonds (distance) P-C4' energy: -120.279
flat angles C4'-P-C4' energy: -121.717
flat angles P-C4'-P energy: -75.736
tors. eta vs tors. theta energy: -99.604
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: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1403.077550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.077550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.077550 (E_RNA)
where:
Base-Base interactions energy: -867.765
where: short stacking energy: -399.501
Base-Backbone interact. energy: -1.070
local terms energy: -534.242411
where:
bonds (distance) C4'-P energy: -113.177
bonds (distance) P-C4' energy: -109.929
flat angles C4'-P-C4' energy: -127.262
flat angles P-C4'-P energy: -79.952
tors. eta vs tors. theta energy: -103.922
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: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1300.133803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.133803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.133803 (E_RNA)
where:
Base-Base interactions energy: -809.371
where: short stacking energy: -362.511
Base-Backbone interact. energy: 1.165
local terms energy: -491.927816
where:
bonds (distance) C4'-P energy: -98.084
bonds (distance) P-C4' energy: -118.095
flat angles C4'-P-C4' energy: -110.368
flat angles P-C4'-P energy: -77.126
tors. eta vs tors. theta energy: -88.255
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: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1054.383365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.383365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.383365 (E_RNA)
where:
Base-Base interactions energy: -635.095
where: short stacking energy: -316.277
Base-Backbone interact. energy: 3.769
local terms energy: -423.056774
where:
bonds (distance) C4'-P energy: -91.246
bonds (distance) P-C4' energy: -106.429
flat angles C4'-P-C4' energy: -101.529
flat angles P-C4'-P energy: -66.571
tors. eta vs tors. theta energy: -57.281
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: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -782.090708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.090708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.090708 (E_RNA)
where:
Base-Base interactions energy: -418.671
where: short stacking energy: -228.057
Base-Backbone interact. energy: -2.251
local terms energy: -361.169042
where:
bonds (distance) C4'-P energy: -94.253
bonds (distance) P-C4' energy: -92.799
flat angles C4'-P-C4' energy: -98.199
flat angles P-C4'-P energy: -60.672
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -705.991242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.991242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.991242 (E_RNA)
where:
Base-Base interactions energy: -343.559
where: short stacking energy: -201.707
Base-Backbone interact. energy: -3.895
local terms energy: -358.537197
where:
bonds (distance) C4'-P energy: -105.063
bonds (distance) P-C4' energy: -95.347
flat angles C4'-P-C4' energy: -81.927
flat angles P-C4'-P energy: -66.091
tors. eta vs tors. theta energy: -10.109
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: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -606.696580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.696580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.696580 (E_RNA)
where:
Base-Base interactions energy: -289.372
where: short stacking energy: -170.623
Base-Backbone interact. energy: 1.061
local terms energy: -318.385548
where:
bonds (distance) C4'-P energy: -101.450
bonds (distance) P-C4' energy: -88.236
flat angles C4'-P-C4' energy: -95.111
flat angles P-C4'-P energy: -38.857
tors. eta vs tors. theta energy: 5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -440.520205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.520205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.520205 (E_RNA)
where:
Base-Base interactions energy: -153.831
where: short stacking energy: -121.087
Base-Backbone interact. energy: -2.018
local terms energy: -284.671232
where:
bonds (distance) C4'-P energy: -78.773
bonds (distance) P-C4' energy: -106.320
flat angles C4'-P-C4' energy: -63.644
flat angles P-C4'-P energy: -45.081
tors. eta vs tors. theta energy: 9.147
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: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1741.903656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.903656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.903656 (E_RNA)
where:
Base-Base interactions energy: -1153.901
where: short stacking energy: -474.025
Base-Backbone interact. energy: -4.168
local terms energy: -583.834526
where:
bonds (distance) C4'-P energy: -114.554
bonds (distance) P-C4' energy: -124.609
flat angles C4'-P-C4' energy: -142.295
flat angles P-C4'-P energy: -78.179
tors. eta vs tors. theta energy: -124.198
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: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1618.639152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.639152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.639152 (E_RNA)
where:
Base-Base interactions energy: -1051.615
where: short stacking energy: -485.567
Base-Backbone interact. energy: -3.159
local terms energy: -563.864635
where:
bonds (distance) C4'-P energy: -115.193
bonds (distance) P-C4' energy: -109.972
flat angles C4'-P-C4' energy: -116.882
flat angles P-C4'-P energy: -79.004
tors. eta vs tors. theta energy: -142.814
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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1408.731659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.731659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.731659 (E_RNA)
where:
Base-Base interactions energy: -901.859
where: short stacking energy: -435.077
Base-Backbone interact. energy: -3.630
local terms energy: -503.242339
where:
bonds (distance) C4'-P energy: -107.774
bonds (distance) P-C4' energy: -99.347
flat angles C4'-P-C4' energy: -116.378
flat angles P-C4'-P energy: -61.038
tors. eta vs tors. theta energy: -118.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1415.984945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.984945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.984945 (E_RNA)
where:
Base-Base interactions energy: -910.580
where: short stacking energy: -407.279
Base-Backbone interact. energy: -3.582
local terms energy: -501.822833
where:
bonds (distance) C4'-P energy: -93.965
bonds (distance) P-C4' energy: -118.180
flat angles C4'-P-C4' energy: -112.007
flat angles P-C4'-P energy: -84.853
tors. eta vs tors. theta energy: -92.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1309.948282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.948282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.948282 (E_RNA)
where:
Base-Base interactions energy: -844.591
where: short stacking energy: -371.738
Base-Backbone interact. energy: 0.041
local terms energy: -465.397557
where:
bonds (distance) C4'-P energy: -110.797
bonds (distance) P-C4' energy: -111.126
flat angles C4'-P-C4' energy: -109.450
flat angles P-C4'-P energy: -56.211
tors. eta vs tors. theta energy: -77.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1040.060528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.060528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.060528 (E_RNA)
where:
Base-Base interactions energy: -619.878
where: short stacking energy: -302.820
Base-Backbone interact. energy: -0.355
local terms energy: -419.826546
where:
bonds (distance) C4'-P energy: -97.046
bonds (distance) P-C4' energy: -109.636
flat angles C4'-P-C4' energy: -95.710
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -52.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -851.590547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.590547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.590547 (E_RNA)
where:
Base-Base interactions energy: -470.674
where: short stacking energy: -241.525
Base-Backbone interact. energy: 3.275
local terms energy: -384.191479
where:
bonds (distance) C4'-P energy: -97.745
bonds (distance) P-C4' energy: -99.032
flat angles C4'-P-C4' energy: -102.223
flat angles P-C4'-P energy: -59.585
tors. eta vs tors. theta energy: -25.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -642.067050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.067050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.067050 (E_RNA)
where:
Base-Base interactions energy: -303.122
where: short stacking energy: -186.855
Base-Backbone interact. energy: 4.470
local terms energy: -343.414791
where:
bonds (distance) C4'-P energy: -86.982
bonds (distance) P-C4' energy: -113.169
flat angles C4'-P-C4' energy: -77.089
flat angles P-C4'-P energy: -67.188
tors. eta vs tors. theta energy: 1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -618.887905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.887905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.887905 (E_RNA)
where:
Base-Base interactions energy: -289.031
where: short stacking energy: -174.091
Base-Backbone interact. energy: 10.060
local terms energy: -339.916420
where:
bonds (distance) C4'-P energy: -107.167
bonds (distance) P-C4' energy: -104.091
flat angles C4'-P-C4' energy: -93.788
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: 10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -455.902379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.902379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.902379 (E_RNA)
where:
Base-Base interactions energy: -157.240
where: short stacking energy: -140.708
Base-Backbone interact. energy: -1.286
local terms energy: -297.376132
where:
bonds (distance) C4'-P energy: -98.734
bonds (distance) P-C4' energy: -97.708
flat angles C4'-P-C4' energy: -84.897
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: 16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1744.143160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.143160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.143160 (E_RNA)
where:
Base-Base interactions energy: -1169.259
where: short stacking energy: -501.538
Base-Backbone interact. energy: -1.133
local terms energy: -573.751200
where:
bonds (distance) C4'-P energy: -115.016
bonds (distance) P-C4' energy: -122.591
flat angles C4'-P-C4' energy: -131.430
flat angles P-C4'-P energy: -83.816
tors. eta vs tors. theta energy: -120.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1610.474939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.474939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.474939 (E_RNA)
where:
Base-Base interactions energy: -1056.391
where: short stacking energy: -476.379
Base-Backbone interact. energy: -6.058
local terms energy: -548.025919
where:
bonds (distance) C4'-P energy: -106.871
bonds (distance) P-C4' energy: -119.041
flat angles C4'-P-C4' energy: -114.627
flat angles P-C4'-P energy: -78.275
tors. eta vs tors. theta energy: -129.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1492.614299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.614299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.614299 (E_RNA)
where:
Base-Base interactions energy: -965.282
where: short stacking energy: -458.424
Base-Backbone interact. energy: -2.460
local terms energy: -524.871518
where:
bonds (distance) C4'-P energy: -111.965
bonds (distance) P-C4' energy: -106.331
flat angles C4'-P-C4' energy: -113.027
flat angles P-C4'-P energy: -72.549
tors. eta vs tors. theta energy: -121.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1393.442409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.442409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.442409 (E_RNA)
where:
Base-Base interactions energy: -929.470
where: short stacking energy: -417.572
Base-Backbone interact. energy: 3.156
local terms energy: -467.128080
where:
bonds (distance) C4'-P energy: -102.199
bonds (distance) P-C4' energy: -109.900
flat angles C4'-P-C4' energy: -98.290
flat angles P-C4'-P energy: -60.991
tors. eta vs tors. theta energy: -95.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1321.682789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.682789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.682789 (E_RNA)
where:
Base-Base interactions energy: -848.073
where: short stacking energy: -386.728
Base-Backbone interact. energy: 1.077
local terms energy: -474.686391
where:
bonds (distance) C4'-P energy: -99.224
bonds (distance) P-C4' energy: -115.865
flat angles C4'-P-C4' energy: -101.593
flat angles P-C4'-P energy: -74.013
tors. eta vs tors. theta energy: -83.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1139.354404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.354404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.354404 (E_RNA)
where:
Base-Base interactions energy: -727.850
where: short stacking energy: -342.273
Base-Backbone interact. energy: -0.884
local terms energy: -410.620972
where:
bonds (distance) C4'-P energy: -98.857
bonds (distance) P-C4' energy: -93.057
flat angles C4'-P-C4' energy: -93.477
flat angles P-C4'-P energy: -55.119
tors. eta vs tors. theta energy: -70.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -935.772524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.772524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.772524 (E_RNA)
where:
Base-Base interactions energy: -548.293
where: short stacking energy: -316.117
Base-Backbone interact. energy: -2.862
local terms energy: -384.618063
where:
bonds (distance) C4'-P energy: -82.086
bonds (distance) P-C4' energy: -98.224
flat angles C4'-P-C4' energy: -108.416
flat angles P-C4'-P energy: -55.460
tors. eta vs tors. theta energy: -40.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -629.859143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.859143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.859143 (E_RNA)
where:
Base-Base interactions energy: -298.297
where: short stacking energy: -180.302
Base-Backbone interact. energy: -0.108
local terms energy: -331.453546
where:
bonds (distance) C4'-P energy: -84.179
bonds (distance) P-C4' energy: -111.106
flat angles C4'-P-C4' energy: -81.988
flat angles P-C4'-P energy: -59.650
tors. eta vs tors. theta energy: 5.470
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: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -617.184055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.184055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.184055 (E_RNA)
where:
Base-Base interactions energy: -263.657
where: short stacking energy: -162.178
Base-Backbone interact. energy: -1.585
local terms energy: -351.942448
where:
bonds (distance) C4'-P energy: -95.484
bonds (distance) P-C4' energy: -97.994
flat angles C4'-P-C4' energy: -82.315
flat angles P-C4'-P energy: -67.551
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -472.566329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.566329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.566329 (E_RNA)
where:
Base-Base interactions energy: -188.854
where: short stacking energy: -125.132
Base-Backbone interact. energy: -2.472
local terms energy: -281.240178
where:
bonds (distance) C4'-P energy: -71.015
bonds (distance) P-C4' energy: -103.709
flat angles C4'-P-C4' energy: -73.928
flat angles P-C4'-P energy: -51.420
tors. eta vs tors. theta energy: 18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1694.552450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.552450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.552450 (E_RNA)
where:
Base-Base interactions energy: -1137.188
where: short stacking energy: -485.989
Base-Backbone interact. energy: -9.708
local terms energy: -547.657190
where:
bonds (distance) C4'-P energy: -117.678
bonds (distance) P-C4' energy: -116.752
flat angles C4'-P-C4' energy: -123.895
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -123.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1630.245367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.245367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.245367 (E_RNA)
where:
Base-Base interactions energy: -1062.387
where: short stacking energy: -465.830
Base-Backbone interact. energy: -0.060
local terms energy: -567.798621
where:
bonds (distance) C4'-P energy: -114.515
bonds (distance) P-C4' energy: -119.190
flat angles C4'-P-C4' energy: -120.229
flat angles P-C4'-P energy: -83.318
tors. eta vs tors. theta energy: -130.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1552.025992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.025992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.025992 (E_RNA)
where:
Base-Base interactions energy: -1006.843
where: short stacking energy: -469.396
Base-Backbone interact. energy: -0.776
local terms energy: -544.406911
where:
bonds (distance) C4'-P energy: -113.374
bonds (distance) P-C4' energy: -100.527
flat angles C4'-P-C4' energy: -131.763
flat angles P-C4'-P energy: -67.939
tors. eta vs tors. theta energy: -130.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1358.732240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.732240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.732240 (E_RNA)
where:
Base-Base interactions energy: -834.820
where: short stacking energy: -396.373
Base-Backbone interact. energy: -3.726
local terms energy: -520.186834
where:
bonds (distance) C4'-P energy: -111.961
bonds (distance) P-C4' energy: -106.198
flat angles C4'-P-C4' energy: -117.105
flat angles P-C4'-P energy: -84.043
tors. eta vs tors. theta energy: -100.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1354.056447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.056447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.056447 (E_RNA)
where:
Base-Base interactions energy: -868.071
where: short stacking energy: -358.643
Base-Backbone interact. energy: 1.967
local terms energy: -487.952399
where:
bonds (distance) C4'-P energy: -107.513
bonds (distance) P-C4' energy: -114.476
flat angles C4'-P-C4' energy: -116.055
flat angles P-C4'-P energy: -64.451
tors. eta vs tors. theta energy: -85.457
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1120.833085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.833085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.833085 (E_RNA)
where:
Base-Base interactions energy: -674.826
where: short stacking energy: -308.080
Base-Backbone interact. energy: -1.060
local terms energy: -444.947285
where:
bonds (distance) C4'-P energy: -92.352
bonds (distance) P-C4' energy: -119.856
flat angles C4'-P-C4' energy: -100.232
flat angles P-C4'-P energy: -81.479
tors. eta vs tors. theta energy: -51.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -897.024912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.024912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.024912 (E_RNA)
where:
Base-Base interactions energy: -525.138
where: short stacking energy: -276.204
Base-Backbone interact. energy: 0.353
local terms energy: -372.240273
where:
bonds (distance) C4'-P energy: -99.900
bonds (distance) P-C4' energy: -104.926
flat angles C4'-P-C4' energy: -91.647
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -35.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -674.917585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.917585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.917585 (E_RNA)
where:
Base-Base interactions energy: -323.147
where: short stacking energy: -208.274
Base-Backbone interact. energy: -2.566
local terms energy: -349.204365
where:
bonds (distance) C4'-P energy: -92.232
bonds (distance) P-C4' energy: -102.942
flat angles C4'-P-C4' energy: -94.258
flat angles P-C4'-P energy: -62.364
tors. eta vs tors. theta energy: 2.592
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -641.093403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.093403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.093403 (E_RNA)
where:
Base-Base interactions energy: -301.727
where: short stacking energy: -176.882
Base-Backbone interact. energy: -1.038
local terms energy: -338.327671
where:
bonds (distance) C4'-P energy: -75.131
bonds (distance) P-C4' energy: -100.369
flat angles C4'-P-C4' energy: -101.339
flat angles P-C4'-P energy: -54.881
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -444.835108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.835108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.835108 (E_RNA)
where:
Base-Base interactions energy: -170.790
where: short stacking energy: -122.310
Base-Backbone interact. energy: -0.660
local terms energy: -273.385649
where:
bonds (distance) C4'-P energy: -90.189
bonds (distance) P-C4' energy: -100.948
flat angles C4'-P-C4' energy: -68.236
flat angles P-C4'-P energy: -41.711
tors. eta vs tors. theta energy: 27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1733.486695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.486695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.486695 (E_RNA)
where:
Base-Base interactions energy: -1163.923
where: short stacking energy: -485.402
Base-Backbone interact. energy: -0.086
local terms energy: -569.477582
where:
bonds (distance) C4'-P energy: -109.783
bonds (distance) P-C4' energy: -122.447
flat angles C4'-P-C4' energy: -134.741
flat angles P-C4'-P energy: -80.376
tors. eta vs tors. theta energy: -122.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1658.386979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.386979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.386979 (E_RNA)
where:
Base-Base interactions energy: -1105.638
where: short stacking energy: -490.868
Base-Backbone interact. energy: -3.973
local terms energy: -548.775826
where:
bonds (distance) C4'-P energy: -113.178
bonds (distance) P-C4' energy: -102.793
flat angles C4'-P-C4' energy: -127.744
flat angles P-C4'-P energy: -74.639
tors. eta vs tors. theta energy: -130.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1593.496355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.496355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.496355 (E_RNA)
where:
Base-Base interactions energy: -1057.008
where: short stacking energy: -506.792
Base-Backbone interact. energy: 1.343
local terms energy: -537.831162
where:
bonds (distance) C4'-P energy: -116.587
bonds (distance) P-C4' energy: -113.685
flat angles C4'-P-C4' energy: -121.513
flat angles P-C4'-P energy: -60.790
tors. eta vs tors. theta energy: -125.257
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: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1391.248440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.248440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.248440 (E_RNA)
where:
Base-Base interactions energy: -899.876
where: short stacking energy: -384.152
Base-Backbone interact. energy: 0.370
local terms energy: -491.742570
where:
bonds (distance) C4'-P energy: -90.416
bonds (distance) P-C4' energy: -119.765
flat angles C4'-P-C4' energy: -114.903
flat angles P-C4'-P energy: -77.181
tors. eta vs tors. theta energy: -89.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1460.642424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.642424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.642424 (E_RNA)
where:
Base-Base interactions energy: -972.785
where: short stacking energy: -436.991
Base-Backbone interact. energy: 0.575
local terms energy: -488.432775
where:
bonds (distance) C4'-P energy: -83.925
bonds (distance) P-C4' energy: -115.667
flat angles C4'-P-C4' energy: -117.103
flat angles P-C4'-P energy: -70.192
tors. eta vs tors. theta energy: -101.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1155.682956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.682956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.682956 (E_RNA)
where:
Base-Base interactions energy: -706.770
where: short stacking energy: -314.397
Base-Backbone interact. energy: -2.550
local terms energy: -446.362689
where:
bonds (distance) C4'-P energy: -105.575
bonds (distance) P-C4' energy: -105.058
flat angles C4'-P-C4' energy: -102.651
flat angles P-C4'-P energy: -63.876
tors. eta vs tors. theta energy: -69.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -937.651828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.651828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.651828 (E_RNA)
where:
Base-Base interactions energy: -523.347
where: short stacking energy: -254.396
Base-Backbone interact. energy: 0.478
local terms energy: -414.782455
where:
bonds (distance) C4'-P energy: -96.751
bonds (distance) P-C4' energy: -111.244
flat angles C4'-P-C4' energy: -105.911
flat angles P-C4'-P energy: -64.829
tors. eta vs tors. theta energy: -36.047
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: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -627.303858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.303858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.303858 (E_RNA)
where:
Base-Base interactions energy: -283.932
where: short stacking energy: -157.775
Base-Backbone interact. energy: -1.581
local terms energy: -341.791190
where:
bonds (distance) C4'-P energy: -105.333
bonds (distance) P-C4' energy: -96.299
flat angles C4'-P-C4' energy: -89.226
flat angles P-C4'-P energy: -51.302
tors. eta vs tors. theta energy: 0.369
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: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -620.668915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.668915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.668915 (E_RNA)
where:
Base-Base interactions energy: -294.743
where: short stacking energy: -173.800
Base-Backbone interact. energy: 8.584
local terms energy: -334.509998
where:
bonds (distance) C4'-P energy: -96.466
bonds (distance) P-C4' energy: -102.274
flat angles C4'-P-C4' energy: -82.373
flat angles P-C4'-P energy: -56.001
tors. eta vs tors. theta energy: 2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -469.646232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.646232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.646232 (E_RNA)
where:
Base-Base interactions energy: -195.992
where: short stacking energy: -130.487
Base-Backbone interact. energy: 0.773
local terms energy: -274.427963
where:
bonds (distance) C4'-P energy: -92.557
bonds (distance) P-C4' energy: -79.939
flat angles C4'-P-C4' energy: -74.291
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: 20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1743.933574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.933574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.933574 (E_RNA)
where:
Base-Base interactions energy: -1157.795
where: short stacking energy: -476.838
Base-Backbone interact. energy: -3.364
local terms energy: -582.774846
where:
bonds (distance) C4'-P energy: -115.379
bonds (distance) P-C4' energy: -126.408
flat angles C4'-P-C4' energy: -128.371
flat angles P-C4'-P energy: -91.197
tors. eta vs tors. theta energy: -121.420
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: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1678.837233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.837233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.837233 (E_RNA)
where:
Base-Base interactions energy: -1110.842
where: short stacking energy: -518.439
Base-Backbone interact. energy: 2.980
local terms energy: -570.975836
where:
bonds (distance) C4'-P energy: -108.321
bonds (distance) P-C4' energy: -112.330
flat angles C4'-P-C4' energy: -124.806
flat angles P-C4'-P energy: -89.526
tors. eta vs tors. theta energy: -135.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1603.971511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.971511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.971511 (E_RNA)
where:
Base-Base interactions energy: -1025.099
where: short stacking energy: -474.275
Base-Backbone interact. energy: -1.698
local terms energy: -577.174813
where:
bonds (distance) C4'-P energy: -123.459
bonds (distance) P-C4' energy: -117.526
flat angles C4'-P-C4' energy: -126.799
flat angles P-C4'-P energy: -81.829
tors. eta vs tors. theta energy: -127.562
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: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1422.395003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.395003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.395003 (E_RNA)
where:
Base-Base interactions energy: -903.439
where: short stacking energy: -407.057
Base-Backbone interact. energy: -1.452
local terms energy: -517.504040
where:
bonds (distance) C4'-P energy: -100.449
bonds (distance) P-C4' energy: -114.545
flat angles C4'-P-C4' energy: -120.538
flat angles P-C4'-P energy: -71.179
tors. eta vs tors. theta energy: -110.793
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: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1420.392875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.392875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.392875 (E_RNA)
where:
Base-Base interactions energy: -952.835
where: short stacking energy: -419.922
Base-Backbone interact. energy: 1.465
local terms energy: -469.023073
where:
bonds (distance) C4'-P energy: -85.943
bonds (distance) P-C4' energy: -105.165
flat angles C4'-P-C4' energy: -110.430
flat angles P-C4'-P energy: -62.980
tors. eta vs tors. theta energy: -104.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1184.603215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.603215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.603215 (E_RNA)
where:
Base-Base interactions energy: -747.278
where: short stacking energy: -344.577
Base-Backbone interact. energy: 2.995
local terms energy: -440.320083
where:
bonds (distance) C4'-P energy: -98.586
bonds (distance) P-C4' energy: -103.947
flat angles C4'-P-C4' energy: -102.777
flat angles P-C4'-P energy: -75.692
tors. eta vs tors. theta energy: -59.318
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: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -963.658316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.658316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.658316 (E_RNA)
where:
Base-Base interactions energy: -550.687
where: short stacking energy: -267.479
Base-Backbone interact. energy: -3.834
local terms energy: -409.137634
where:
bonds (distance) C4'-P energy: -100.796
bonds (distance) P-C4' energy: -99.882
flat angles C4'-P-C4' energy: -107.393
flat angles P-C4'-P energy: -70.205
tors. eta vs tors. theta energy: -30.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -605.096581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.096581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.096581 (E_RNA)
where:
Base-Base interactions energy: -251.840
where: short stacking energy: -153.114
Base-Backbone interact. energy: -2.439
local terms energy: -350.817666
where:
bonds (distance) C4'-P energy: -93.218
bonds (distance) P-C4' energy: -109.021
flat angles C4'-P-C4' energy: -94.874
flat angles P-C4'-P energy: -57.647
tors. eta vs tors. theta energy: 3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -534.512109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.512109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.512109 (E_RNA)
where:
Base-Base interactions energy: -227.213
where: short stacking energy: -145.330
Base-Backbone interact. energy: -3.621
local terms energy: -303.678000
where:
bonds (distance) C4'-P energy: -83.713
bonds (distance) P-C4' energy: -96.104
flat angles C4'-P-C4' energy: -75.736
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: 4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -467.477240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.477240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.477240 (E_RNA)
where:
Base-Base interactions energy: -174.002
where: short stacking energy: -122.297
Base-Backbone interact. energy: -0.551
local terms energy: -292.923931
where:
bonds (distance) C4'-P energy: -98.966
bonds (distance) P-C4' energy: -114.208
flat angles C4'-P-C4' energy: -81.282
flat angles P-C4'-P energy: -30.559
tors. eta vs tors. theta energy: 32.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1735.873818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.873818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.873818 (E_RNA)
where:
Base-Base interactions energy: -1160.904
where: short stacking energy: -484.263
Base-Backbone interact. energy: -2.418
local terms energy: -572.552143
where:
bonds (distance) C4'-P energy: -118.242
bonds (distance) P-C4' energy: -119.955
flat angles C4'-P-C4' energy: -123.725
flat angles P-C4'-P energy: -91.331
tors. eta vs tors. theta energy: -119.299
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: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1663.703534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.703534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.703534 (E_RNA)
where:
Base-Base interactions energy: -1074.765
where: short stacking energy: -487.486
Base-Backbone interact. energy: -4.796
local terms energy: -584.142565
where:
bonds (distance) C4'-P energy: -120.553
bonds (distance) P-C4' energy: -110.905
flat angles C4'-P-C4' energy: -128.741
flat angles P-C4'-P energy: -88.700
tors. eta vs tors. theta energy: -135.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1566.962179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.962179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.962179 (E_RNA)
where:
Base-Base interactions energy: -1028.025
where: short stacking energy: -475.993
Base-Backbone interact. energy: -2.647
local terms energy: -536.290145
where:
bonds (distance) C4'-P energy: -103.605
bonds (distance) P-C4' energy: -107.986
flat angles C4'-P-C4' energy: -115.996
flat angles P-C4'-P energy: -86.078
tors. eta vs tors. theta energy: -122.626
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1457.988717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.988717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.988717 (E_RNA)
where:
Base-Base interactions energy: -946.008
where: short stacking energy: -424.968
Base-Backbone interact. energy: -4.183
local terms energy: -507.798054
where:
bonds (distance) C4'-P energy: -82.403
bonds (distance) P-C4' energy: -108.594
flat angles C4'-P-C4' energy: -120.156
flat angles P-C4'-P energy: -86.059
tors. eta vs tors. theta energy: -110.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1454.883718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.883718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.883718 (E_RNA)
where:
Base-Base interactions energy: -938.435
where: short stacking energy: -422.773
Base-Backbone interact. energy: 1.353
local terms energy: -517.801226
where:
bonds (distance) C4'-P energy: -116.046
bonds (distance) P-C4' energy: -108.293
flat angles C4'-P-C4' energy: -104.037
flat angles P-C4'-P energy: -78.077
tors. eta vs tors. theta energy: -111.348
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: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1346.955957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.955957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.955957 (E_RNA)
where:
Base-Base interactions energy: -863.048
where: short stacking energy: -422.316
Base-Backbone interact. energy: 0.249
local terms energy: -484.157357
where:
bonds (distance) C4'-P energy: -100.627
bonds (distance) P-C4' energy: -96.346
flat angles C4'-P-C4' energy: -120.265
flat angles P-C4'-P energy: -61.228
tors. eta vs tors. theta energy: -105.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -946.587309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.587309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.587309 (E_RNA)
where:
Base-Base interactions energy: -535.067
where: short stacking energy: -259.153
Base-Backbone interact. energy: -1.004
local terms energy: -410.515465
where:
bonds (distance) C4'-P energy: -106.771
bonds (distance) P-C4' energy: -114.613
flat angles C4'-P-C4' energy: -77.112
flat angles P-C4'-P energy: -72.381
tors. eta vs tors. theta energy: -39.640
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: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -616.378504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.378504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.378504 (E_RNA)
where:
Base-Base interactions energy: -289.377
where: short stacking energy: -189.298
Base-Backbone interact. energy: -1.383
local terms energy: -325.619199
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -99.489
flat angles C4'-P-C4' energy: -81.614
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -538.159933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.159933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.159933 (E_RNA)
where:
Base-Base interactions energy: -223.319
where: short stacking energy: -143.729
Base-Backbone interact. energy: -1.382
local terms energy: -313.458451
where:
bonds (distance) C4'-P energy: -89.053
bonds (distance) P-C4' energy: -110.512
flat angles C4'-P-C4' energy: -86.510
flat angles P-C4'-P energy: -46.349
tors. eta vs tors. theta energy: 18.966
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: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -445.115559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.115559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.115559 (E_RNA)
where:
Base-Base interactions energy: -151.442
where: short stacking energy: -126.806
Base-Backbone interact. energy: 8.676
local terms energy: -302.348772
where:
bonds (distance) C4'-P energy: -101.003
bonds (distance) P-C4' energy: -91.179
flat angles C4'-P-C4' energy: -86.003
flat angles P-C4'-P energy: -52.032
tors. eta vs tors. theta energy: 27.868
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: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1739.083475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.083475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.083475 (E_RNA)
where:
Base-Base interactions energy: -1136.285
where: short stacking energy: -500.620
Base-Backbone interact. energy: -0.803
local terms energy: -601.996306
where:
bonds (distance) C4'-P energy: -119.525
bonds (distance) P-C4' energy: -124.437
flat angles C4'-P-C4' energy: -132.527
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -128.991
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: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1633.751290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.751290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.751290 (E_RNA)
where:
Base-Base interactions energy: -1078.029
where: short stacking energy: -481.468
Base-Backbone interact. energy: 1.030
local terms energy: -556.753139
where:
bonds (distance) C4'-P energy: -108.635
bonds (distance) P-C4' energy: -112.511
flat angles C4'-P-C4' energy: -128.278
flat angles P-C4'-P energy: -82.513
tors. eta vs tors. theta energy: -124.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1609.644490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.644490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.644490 (E_RNA)
where:
Base-Base interactions energy: -1048.527
where: short stacking energy: -481.235
Base-Backbone interact. energy: -1.723
local terms energy: -559.394332
where:
bonds (distance) C4'-P energy: -118.252
bonds (distance) P-C4' energy: -122.301
flat angles C4'-P-C4' energy: -111.966
flat angles P-C4'-P energy: -80.413
tors. eta vs tors. theta energy: -126.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1476.359377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.359377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.359377 (E_RNA)
where:
Base-Base interactions energy: -973.891
where: short stacking energy: -409.727
Base-Backbone interact. energy: -0.829
local terms energy: -501.639055
where:
bonds (distance) C4'-P energy: -110.080
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -113.923
flat angles P-C4'-P energy: -75.003
tors. eta vs tors. theta energy: -101.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1458.542602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.542602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.542602 (E_RNA)
where:
Base-Base interactions energy: -933.683
where: short stacking energy: -407.679
Base-Backbone interact. energy: -1.463
local terms energy: -523.396916
where:
bonds (distance) C4'-P energy: -106.922
bonds (distance) P-C4' energy: -92.841
flat angles C4'-P-C4' energy: -126.225
flat angles P-C4'-P energy: -69.482
tors. eta vs tors. theta energy: -127.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1325.195647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.195647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.195647 (E_RNA)
where:
Base-Base interactions energy: -846.262
where: short stacking energy: -376.979
Base-Backbone interact. energy: -3.193
local terms energy: -475.741449
where:
bonds (distance) C4'-P energy: -102.679
bonds (distance) P-C4' energy: -104.431
flat angles C4'-P-C4' energy: -117.164
flat angles P-C4'-P energy: -74.921
tors. eta vs tors. theta energy: -76.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -902.491342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.491342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.491342 (E_RNA)
where:
Base-Base interactions energy: -512.671
where: short stacking energy: -233.891
Base-Backbone interact. energy: 1.722
local terms energy: -391.541882
where:
bonds (distance) C4'-P energy: -98.436
bonds (distance) P-C4' energy: -107.780
flat angles C4'-P-C4' energy: -88.715
flat angles P-C4'-P energy: -77.994
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -581.802028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.802028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.802028 (E_RNA)
where:
Base-Base interactions energy: -266.844
where: short stacking energy: -187.496
Base-Backbone interact. energy: -0.571
local terms energy: -314.387861
where:
bonds (distance) C4'-P energy: -67.081
bonds (distance) P-C4' energy: -105.726
flat angles C4'-P-C4' energy: -86.168
flat angles P-C4'-P energy: -63.299
tors. eta vs tors. theta energy: 7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -571.019712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.019712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.019712 (E_RNA)
where:
Base-Base interactions energy: -260.270
where: short stacking energy: -149.621
Base-Backbone interact. energy: -2.210
local terms energy: -308.540087
where:
bonds (distance) C4'-P energy: -104.161
bonds (distance) P-C4' energy: -102.994
flat angles C4'-P-C4' energy: -77.557
flat angles P-C4'-P energy: -49.133
tors. eta vs tors. theta energy: 25.305
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: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -485.246765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.246765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.246765 (E_RNA)
where:
Base-Base interactions energy: -172.990
where: short stacking energy: -117.558
Base-Backbone interact. energy: 3.503
local terms energy: -315.759736
where:
bonds (distance) C4'-P energy: -88.940
bonds (distance) P-C4' energy: -114.321
flat angles C4'-P-C4' energy: -80.393
flat angles P-C4'-P energy: -56.963
tors. eta vs tors. theta energy: 24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1734.624937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.624937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.624937 (E_RNA)
where:
Base-Base interactions energy: -1183.631
where: short stacking energy: -516.650
Base-Backbone interact. energy: 1.783
local terms energy: -552.776117
where:
bonds (distance) C4'-P energy: -102.043
bonds (distance) P-C4' energy: -110.869
flat angles C4'-P-C4' energy: -122.027
flat angles P-C4'-P energy: -89.376
tors. eta vs tors. theta energy: -128.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1668.573285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.573285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.573285 (E_RNA)
where:
Base-Base interactions energy: -1104.471
where: short stacking energy: -490.910
Base-Backbone interact. energy: -0.116
local terms energy: -563.986755
where:
bonds (distance) C4'-P energy: -110.843
bonds (distance) P-C4' energy: -117.491
flat angles C4'-P-C4' energy: -127.058
flat angles P-C4'-P energy: -75.237
tors. eta vs tors. theta energy: -133.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1603.786974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.786974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.786974 (E_RNA)
where:
Base-Base interactions energy: -1066.516
where: short stacking energy: -478.275
Base-Backbone interact. energy: -2.308
local terms energy: -534.962611
where:
bonds (distance) C4'-P energy: -105.055
bonds (distance) P-C4' energy: -108.340
flat angles C4'-P-C4' energy: -119.423
flat angles P-C4'-P energy: -88.835
tors. eta vs tors. theta energy: -113.309
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: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1498.842643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.842643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.842643 (E_RNA)
where:
Base-Base interactions energy: -981.498
where: short stacking energy: -435.029
Base-Backbone interact. energy: -3.652
local terms energy: -513.692364
where:
bonds (distance) C4'-P energy: -112.399
bonds (distance) P-C4' energy: -109.567
flat angles C4'-P-C4' energy: -121.732
flat angles P-C4'-P energy: -59.886
tors. eta vs tors. theta energy: -110.108
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: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1457.600173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.600173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.600173 (E_RNA)
where:
Base-Base interactions energy: -949.156
where: short stacking energy: -419.541
Base-Backbone interact. energy: -2.227
local terms energy: -506.217968
where:
bonds (distance) C4'-P energy: -90.497
bonds (distance) P-C4' energy: -122.815
flat angles C4'-P-C4' energy: -113.681
flat angles P-C4'-P energy: -72.753
tors. eta vs tors. theta energy: -106.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1413.854902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.854902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.854902 (E_RNA)
where:
Base-Base interactions energy: -898.912
where: short stacking energy: -420.146
Base-Backbone interact. energy: -0.012
local terms energy: -514.931300
where:
bonds (distance) C4'-P energy: -96.229
bonds (distance) P-C4' energy: -113.055
flat angles C4'-P-C4' energy: -109.502
flat angles P-C4'-P energy: -79.666
tors. eta vs tors. theta energy: -116.480
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: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -958.144534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.144534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.144534 (E_RNA)
where:
Base-Base interactions energy: -553.775
where: short stacking energy: -263.021
Base-Backbone interact. energy: -4.009
local terms energy: -400.360937
where:
bonds (distance) C4'-P energy: -88.645
bonds (distance) P-C4' energy: -109.579
flat angles C4'-P-C4' energy: -96.378
flat angles P-C4'-P energy: -69.662
tors. eta vs tors. theta energy: -36.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -568.499836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.499836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.499836 (E_RNA)
where:
Base-Base interactions energy: -269.896
where: short stacking energy: -164.686
Base-Backbone interact. energy: 1.784
local terms energy: -300.388168
where:
bonds (distance) C4'-P energy: -82.997
bonds (distance) P-C4' energy: -89.535
flat angles C4'-P-C4' energy: -91.996
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -578.662280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.662280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.662280 (E_RNA)
where:
Base-Base interactions energy: -280.991
where: short stacking energy: -174.729
Base-Backbone interact. energy: 6.202
local terms energy: -303.873006
where:
bonds (distance) C4'-P energy: -90.851
bonds (distance) P-C4' energy: -90.616
flat angles C4'-P-C4' energy: -88.735
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: 16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -456.051383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.051383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.051383 (E_RNA)
where:
Base-Base interactions energy: -160.581
where: short stacking energy: -122.382
Base-Backbone interact. energy: -2.015
local terms energy: -293.455553
where:
bonds (distance) C4'-P energy: -85.725
bonds (distance) P-C4' energy: -97.728
flat angles C4'-P-C4' energy: -92.472
flat angles P-C4'-P energy: -41.537
tors. eta vs tors. theta energy: 24.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1748.623815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.623815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.623815 (E_RNA)
where:
Base-Base interactions energy: -1170.360
where: short stacking energy: -503.760
Base-Backbone interact. energy: -3.532
local terms energy: -574.731296
where:
bonds (distance) C4'-P energy: -113.031
bonds (distance) P-C4' energy: -124.820
flat angles C4'-P-C4' energy: -125.706
flat angles P-C4'-P energy: -72.016
tors. eta vs tors. theta energy: -139.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1629.615287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.615287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.615287 (E_RNA)
where:
Base-Base interactions energy: -1070.383
where: short stacking energy: -472.333
Base-Backbone interact. energy: 0.451
local terms energy: -559.683845
where:
bonds (distance) C4'-P energy: -115.795
bonds (distance) P-C4' energy: -127.060
flat angles C4'-P-C4' energy: -130.089
flat angles P-C4'-P energy: -68.948
tors. eta vs tors. theta energy: -117.792
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: 33
Temperature: 1.000000
Total energy: -1605.598672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.598672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.598672 (E_RNA)
where:
Base-Base interactions energy: -1042.676
where: short stacking energy: -496.645
Base-Backbone interact. energy: -1.385
local terms energy: -561.537944
where:
bonds (distance) C4'-P energy: -115.307
bonds (distance) P-C4' energy: -117.691
flat angles C4'-P-C4' energy: -126.998
flat angles P-C4'-P energy: -69.380
tors. eta vs tors. theta energy: -132.161
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: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1571.176665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.176665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.176665 (E_RNA)
where:
Base-Base interactions energy: -1034.625
where: short stacking energy: -477.063
Base-Backbone interact. energy: -2.624
local terms energy: -533.927488
where:
bonds (distance) C4'-P energy: -98.585
bonds (distance) P-C4' energy: -112.687
flat angles C4'-P-C4' energy: -121.469
flat angles P-C4'-P energy: -63.918
tors. eta vs tors. theta energy: -137.268
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: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1427.871081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.871081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.871081 (E_RNA)
where:
Base-Base interactions energy: -924.915
where: short stacking energy: -397.084
Base-Backbone interact. energy: -4.511
local terms energy: -498.445337
where:
bonds (distance) C4'-P energy: -96.572
bonds (distance) P-C4' energy: -112.217
flat angles C4'-P-C4' energy: -107.049
flat angles P-C4'-P energy: -82.576
tors. eta vs tors. theta energy: -100.030
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: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1383.517553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.517553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.517553 (E_RNA)
where:
Base-Base interactions energy: -906.156
where: short stacking energy: -422.371
Base-Backbone interact. energy: -1.981
local terms energy: -475.380075
where:
bonds (distance) C4'-P energy: -87.878
bonds (distance) P-C4' energy: -98.283
flat angles C4'-P-C4' energy: -123.701
flat angles P-C4'-P energy: -59.909
tors. eta vs tors. theta energy: -105.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1006.132275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.132275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.132275 (E_RNA)
where:
Base-Base interactions energy: -602.075
where: short stacking energy: -266.727
Base-Backbone interact. energy: -3.203
local terms energy: -400.853855
where:
bonds (distance) C4'-P energy: -96.908
bonds (distance) P-C4' energy: -106.385
flat angles C4'-P-C4' energy: -113.667
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -37.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -602.282169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.282169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.282169 (E_RNA)
where:
Base-Base interactions energy: -262.440
where: short stacking energy: -173.929
Base-Backbone interact. energy: 1.551
local terms energy: -341.392759
where:
bonds (distance) C4'-P energy: -95.851
bonds (distance) P-C4' energy: -104.469
flat angles C4'-P-C4' energy: -102.179
flat angles P-C4'-P energy: -42.559
tors. eta vs tors. theta energy: 3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -500.137604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.137604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.137604 (E_RNA)
where:
Base-Base interactions energy: -193.129
where: short stacking energy: -127.935
Base-Backbone interact. energy: 4.964
local terms energy: -311.971833
where:
bonds (distance) C4'-P energy: -89.210
bonds (distance) P-C4' energy: -106.869
flat angles C4'-P-C4' energy: -99.513
flat angles P-C4'-P energy: -42.114
tors. eta vs tors. theta energy: 25.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -477.757648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.757648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.757648 (E_RNA)
where:
Base-Base interactions energy: -167.588
where: short stacking energy: -125.524
Base-Backbone interact. energy: 3.880
local terms energy: -314.049661
where:
bonds (distance) C4'-P energy: -88.145
bonds (distance) P-C4' energy: -102.685
flat angles C4'-P-C4' energy: -79.300
flat angles P-C4'-P energy: -52.644
tors. eta vs tors. theta energy: 8.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1763.454001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.454001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.454001 (E_RNA)
where:
Base-Base interactions energy: -1181.989
where: short stacking energy: -501.517
Base-Backbone interact. energy: -0.248
local terms energy: -581.217001
where:
bonds (distance) C4'-P energy: -115.807
bonds (distance) P-C4' energy: -122.881
flat angles C4'-P-C4' energy: -124.631
flat angles P-C4'-P energy: -78.998
tors. eta vs tors. theta energy: -138.901
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: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1646.971476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.971476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.971476 (E_RNA)
where:
Base-Base interactions energy: -1059.417
where: short stacking energy: -473.963
Base-Backbone interact. energy: -1.499
local terms energy: -586.054875
where:
bonds (distance) C4'-P energy: -119.315
bonds (distance) P-C4' energy: -127.556
flat angles C4'-P-C4' energy: -127.604
flat angles P-C4'-P energy: -69.603
tors. eta vs tors. theta energy: -141.977
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: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1596.737182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.737182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.737182 (E_RNA)
where:
Base-Base interactions energy: -1039.981
where: short stacking energy: -480.516
Base-Backbone interact. energy: -4.094
local terms energy: -552.661861
where:
bonds (distance) C4'-P energy: -115.838
bonds (distance) P-C4' energy: -112.873
flat angles C4'-P-C4' energy: -112.487
flat angles P-C4'-P energy: -78.507
tors. eta vs tors. theta energy: -132.957
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: 34
Temperature: 1.050000
Total energy: -1547.707394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.707394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.707394 (E_RNA)
where:
Base-Base interactions energy: -1009.455
where: short stacking energy: -452.315
Base-Backbone interact. energy: -0.076
local terms energy: -538.176977
where:
bonds (distance) C4'-P energy: -120.221
bonds (distance) P-C4' energy: -104.826
flat angles C4'-P-C4' energy: -116.171
flat angles P-C4'-P energy: -73.017
tors. eta vs tors. theta energy: -123.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1441.586399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.586399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.586399 (E_RNA)
where:
Base-Base interactions energy: -934.122
where: short stacking energy: -391.022
Base-Backbone interact. energy: -2.107
local terms energy: -505.356404
where:
bonds (distance) C4'-P energy: -111.052
bonds (distance) P-C4' energy: -118.807
flat angles C4'-P-C4' energy: -115.023
flat angles P-C4'-P energy: -57.941
tors. eta vs tors. theta energy: -102.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1356.446007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.446007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.446007 (E_RNA)
where:
Base-Base interactions energy: -883.877
where: short stacking energy: -388.425
Base-Backbone interact. energy: -2.584
local terms energy: -469.984831
where:
bonds (distance) C4'-P energy: -106.105
bonds (distance) P-C4' energy: -109.087
flat angles C4'-P-C4' energy: -97.729
flat angles P-C4'-P energy: -60.040
tors. eta vs tors. theta energy: -97.025
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: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1006.729100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.729100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.729100 (E_RNA)
where:
Base-Base interactions energy: -621.825
where: short stacking energy: -293.255
Base-Backbone interact. energy: -2.516
local terms energy: -382.388852
where:
bonds (distance) C4'-P energy: -93.877
bonds (distance) P-C4' energy: -92.285
flat angles C4'-P-C4' energy: -91.795
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -45.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -655.934563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.934563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.934563 (E_RNA)
where:
Base-Base interactions energy: -295.306
where: short stacking energy: -191.658
Base-Backbone interact. energy: -0.528
local terms energy: -360.100383
where:
bonds (distance) C4'-P energy: -90.207
bonds (distance) P-C4' energy: -107.692
flat angles C4'-P-C4' energy: -82.256
flat angles P-C4'-P energy: -65.192
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -492.549446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.549446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.549446 (E_RNA)
where:
Base-Base interactions energy: -204.898
where: short stacking energy: -157.118
Base-Backbone interact. energy: -1.941
local terms energy: -285.710619
where:
bonds (distance) C4'-P energy: -89.182
bonds (distance) P-C4' energy: -104.097
flat angles C4'-P-C4' energy: -77.086
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: 7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -453.543225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.543225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.543225 (E_RNA)
where:
Base-Base interactions energy: -155.941
where: short stacking energy: -128.165
Base-Backbone interact. energy: 0.773
local terms energy: -298.375801
where:
bonds (distance) C4'-P energy: -95.317
bonds (distance) P-C4' energy: -99.226
flat angles C4'-P-C4' energy: -83.527
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: 21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1773.479492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.479492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.479492 (E_RNA)
where:
Base-Base interactions energy: -1199.616
where: short stacking energy: -537.885
Base-Backbone interact. energy: 0.472
local terms energy: -574.335384
where:
bonds (distance) C4'-P energy: -110.304
bonds (distance) P-C4' energy: -107.082
flat angles C4'-P-C4' energy: -120.045
flat angles P-C4'-P energy: -87.607
tors. eta vs tors. theta energy: -149.297
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: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1720.618468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.618468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.618468 (E_RNA)
where:
Base-Base interactions energy: -1116.569
where: short stacking energy: -512.125
Base-Backbone interact. energy: -1.067
local terms energy: -602.981793
where:
bonds (distance) C4'-P energy: -113.659
bonds (distance) P-C4' energy: -122.622
flat angles C4'-P-C4' energy: -128.982
flat angles P-C4'-P energy: -82.581
tors. eta vs tors. theta energy: -155.138
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: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1582.845979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.845979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.845979 (E_RNA)
where:
Base-Base interactions energy: -1044.081
where: short stacking energy: -468.263
Base-Backbone interact. energy: -1.493
local terms energy: -537.271754
where:
bonds (distance) C4'-P energy: -104.635
bonds (distance) P-C4' energy: -110.977
flat angles C4'-P-C4' energy: -124.060
flat angles P-C4'-P energy: -73.468
tors. eta vs tors. theta energy: -124.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1569.630446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.630446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.630446 (E_RNA)
where:
Base-Base interactions energy: -1025.811
where: short stacking energy: -478.642
Base-Backbone interact. energy: 1.398
local terms energy: -545.217979
where:
bonds (distance) C4'-P energy: -92.783
bonds (distance) P-C4' energy: -126.837
flat angles C4'-P-C4' energy: -119.592
flat angles P-C4'-P energy: -81.419
tors. eta vs tors. theta energy: -124.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1366.832832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.832832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.832832 (E_RNA)
where:
Base-Base interactions energy: -907.626
where: short stacking energy: -408.196
Base-Backbone interact. energy: -2.962
local terms energy: -456.245309
where:
bonds (distance) C4'-P energy: -103.530
bonds (distance) P-C4' energy: -79.869
flat angles C4'-P-C4' energy: -118.386
flat angles P-C4'-P energy: -61.910
tors. eta vs tors. theta energy: -92.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1404.170392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.170392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.170392 (E_RNA)
where:
Base-Base interactions energy: -936.781
where: short stacking energy: -412.084
Base-Backbone interact. energy: 5.397
local terms energy: -472.786923
where:
bonds (distance) C4'-P energy: -103.150
bonds (distance) P-C4' energy: -93.079
flat angles C4'-P-C4' energy: -106.879
flat angles P-C4'-P energy: -73.640
tors. eta vs tors. theta energy: -96.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -970.311222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.311222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.311222 (E_RNA)
where:
Base-Base interactions energy: -530.503
where: short stacking energy: -263.721
Base-Backbone interact. energy: -0.789
local terms energy: -439.018777
where:
bonds (distance) C4'-P energy: -108.161
bonds (distance) P-C4' energy: -110.460
flat angles C4'-P-C4' energy: -104.997
flat angles P-C4'-P energy: -64.604
tors. eta vs tors. theta energy: -50.797
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: 8, replica: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -692.273473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.273473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.273473 (E_RNA)
where:
Base-Base interactions energy: -333.695
where: short stacking energy: -194.938
Base-Backbone interact. energy: -4.149
local terms energy: -354.430123
where:
bonds (distance) C4'-P energy: -96.116
bonds (distance) P-C4' energy: -104.073
flat angles C4'-P-C4' energy: -87.863
flat angles P-C4'-P energy: -56.965
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -519.160860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.160860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.160860 (E_RNA)
where:
Base-Base interactions energy: -197.581
where: short stacking energy: -150.290
Base-Backbone interact. energy: 0.053
local terms energy: -321.632436
where:
bonds (distance) C4'-P energy: -86.567
bonds (distance) P-C4' energy: -99.637
flat angles C4'-P-C4' energy: -87.742
flat angles P-C4'-P energy: -52.586
tors. eta vs tors. theta energy: 4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -464.641140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.641140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.641140 (E_RNA)
where:
Base-Base interactions energy: -159.658
where: short stacking energy: -112.640
Base-Backbone interact. energy: -1.642
local terms energy: -303.341403
where:
bonds (distance) C4'-P energy: -103.058
bonds (distance) P-C4' energy: -88.660
flat angles C4'-P-C4' energy: -79.847
flat angles P-C4'-P energy: -56.687
tors. eta vs tors. theta energy: 24.910
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: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1785.438010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.438010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.438010 (E_RNA)
where:
Base-Base interactions energy: -1160.282
where: short stacking energy: -533.312
Base-Backbone interact. energy: 1.434
local terms energy: -626.590193
where:
bonds (distance) C4'-P energy: -117.045
bonds (distance) P-C4' energy: -120.403
flat angles C4'-P-C4' energy: -134.388
flat angles P-C4'-P energy: -94.278
tors. eta vs tors. theta energy: -160.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1740.847242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.847242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.847242 (E_RNA)
where:
Base-Base interactions energy: -1154.428
where: short stacking energy: -502.715
Base-Backbone interact. energy: -2.798
local terms energy: -583.620579
where:
bonds (distance) C4'-P energy: -116.824
bonds (distance) P-C4' energy: -122.161
flat angles C4'-P-C4' energy: -127.936
flat angles P-C4'-P energy: -84.187
tors. eta vs tors. theta energy: -132.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1619.091017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.091017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.091017 (E_RNA)
where:
Base-Base interactions energy: -1079.810
where: short stacking energy: -479.205
Base-Backbone interact. energy: -0.503
local terms energy: -538.778121
where:
bonds (distance) C4'-P energy: -109.077
bonds (distance) P-C4' energy: -99.276
flat angles C4'-P-C4' energy: -115.910
flat angles P-C4'-P energy: -88.409
tors. eta vs tors. theta energy: -126.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1504.885788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.885788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.885788 (E_RNA)
where:
Base-Base interactions energy: -1006.580
where: short stacking energy: -444.391
Base-Backbone interact. energy: -3.070
local terms energy: -495.235309
where:
bonds (distance) C4'-P energy: -106.106
bonds (distance) P-C4' energy: -101.432
flat angles C4'-P-C4' energy: -116.222
flat angles P-C4'-P energy: -65.108
tors. eta vs tors. theta energy: -106.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1402.266412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.266412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.266412 (E_RNA)
where:
Base-Base interactions energy: -918.154
where: short stacking energy: -392.678
Base-Backbone interact. energy: -3.112
local terms energy: -481.000176
where:
bonds (distance) C4'-P energy: -79.932
bonds (distance) P-C4' energy: -109.688
flat angles C4'-P-C4' energy: -106.413
flat angles P-C4'-P energy: -86.764
tors. eta vs tors. theta energy: -98.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1324.866563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.866563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.866563 (E_RNA)
where:
Base-Base interactions energy: -884.490
where: short stacking energy: -342.321
Base-Backbone interact. energy: -1.898
local terms energy: -438.478218
where:
bonds (distance) C4'-P energy: -96.405
bonds (distance) P-C4' energy: -91.849
flat angles C4'-P-C4' energy: -106.577
flat angles P-C4'-P energy: -73.549
tors. eta vs tors. theta energy: -70.099
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: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -998.910070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.910070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.910070 (E_RNA)
where:
Base-Base interactions energy: -569.081
where: short stacking energy: -297.016
Base-Backbone interact. energy: -2.404
local terms energy: -427.425029
where:
bonds (distance) C4'-P energy: -99.016
bonds (distance) P-C4' energy: -113.198
flat angles C4'-P-C4' energy: -100.776
flat angles P-C4'-P energy: -64.979
tors. eta vs tors. theta energy: -49.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -638.369126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.369126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.369126 (E_RNA)
where:
Base-Base interactions energy: -269.305
where: short stacking energy: -169.414
Base-Backbone interact. energy: 0.907
local terms energy: -369.971052
where:
bonds (distance) C4'-P energy: -97.997
bonds (distance) P-C4' energy: -100.968
flat angles C4'-P-C4' energy: -85.776
flat angles P-C4'-P energy: -63.366
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -499.714403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.714403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.714403 (E_RNA)
where:
Base-Base interactions energy: -176.044
where: short stacking energy: -153.197
Base-Backbone interact. energy: -1.821
local terms energy: -321.849699
where:
bonds (distance) C4'-P energy: -91.714
bonds (distance) P-C4' energy: -109.300
flat angles C4'-P-C4' energy: -63.176
flat angles P-C4'-P energy: -53.672
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -455.323028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.323028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.323028 (E_RNA)
where:
Base-Base interactions energy: -160.187
where: short stacking energy: -100.964
Base-Backbone interact. energy: 0.276
local terms energy: -295.411697
where:
bonds (distance) C4'-P energy: -99.448
bonds (distance) P-C4' energy: -98.725
flat angles C4'-P-C4' energy: -79.010
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: 23.978
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: 1, replica: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1799.997448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.997448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.997448 (E_RNA)
where:
Base-Base interactions energy: -1208.331
where: short stacking energy: -532.673
Base-Backbone interact. energy: -2.205
local terms energy: -589.461198
where:
bonds (distance) C4'-P energy: -109.093
bonds (distance) P-C4' energy: -120.953
flat angles C4'-P-C4' energy: -125.593
flat angles P-C4'-P energy: -89.760
tors. eta vs tors. theta energy: -144.063
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: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1733.887761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.887761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.887761 (E_RNA)
where:
Base-Base interactions energy: -1169.677
where: short stacking energy: -492.366
Base-Backbone interact. energy: 1.546
local terms energy: -565.756731
where:
bonds (distance) C4'-P energy: -92.312
bonds (distance) P-C4' energy: -122.629
flat angles C4'-P-C4' energy: -122.188
flat angles P-C4'-P energy: -86.148
tors. eta vs tors. theta energy: -142.479
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: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1645.977458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.977458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.977458 (E_RNA)
where:
Base-Base interactions energy: -1080.096
where: short stacking energy: -485.854
Base-Backbone interact. energy: -1.603
local terms energy: -564.278315
where:
bonds (distance) C4'-P energy: -92.103
bonds (distance) P-C4' energy: -114.248
flat angles C4'-P-C4' energy: -138.012
flat angles P-C4'-P energy: -83.427
tors. eta vs tors. theta energy: -136.487
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: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1535.285354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.285354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.285354 (E_RNA)
where:
Base-Base interactions energy: -1029.172
where: short stacking energy: -446.321
Base-Backbone interact. energy: -3.200
local terms energy: -502.913584
where:
bonds (distance) C4'-P energy: -107.682
bonds (distance) P-C4' energy: -102.231
flat angles C4'-P-C4' energy: -113.940
flat angles P-C4'-P energy: -65.582
tors. eta vs tors. theta energy: -113.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1442.420091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.420091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.420091 (E_RNA)
where:
Base-Base interactions energy: -935.385
where: short stacking energy: -415.441
Base-Backbone interact. energy: -1.196
local terms energy: -505.838876
where:
bonds (distance) C4'-P energy: -107.292
bonds (distance) P-C4' energy: -111.912
flat angles C4'-P-C4' energy: -99.336
flat angles P-C4'-P energy: -69.359
tors. eta vs tors. theta energy: -117.941
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: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1270.158855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.158855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.158855 (E_RNA)
where:
Base-Base interactions energy: -788.566
where: short stacking energy: -403.167
Base-Backbone interact. energy: -4.257
local terms energy: -477.335995
where:
bonds (distance) C4'-P energy: -99.596
bonds (distance) P-C4' energy: -96.248
flat angles C4'-P-C4' energy: -111.126
flat angles P-C4'-P energy: -71.949
tors. eta vs tors. theta energy: -98.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1083.904658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.904658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.904658 (E_RNA)
where:
Base-Base interactions energy: -653.652
where: short stacking energy: -293.390
Base-Backbone interact. energy: -1.134
local terms energy: -429.118470
where:
bonds (distance) C4'-P energy: -109.471
bonds (distance) P-C4' energy: -109.121
flat angles C4'-P-C4' energy: -103.659
flat angles P-C4'-P energy: -51.715
tors. eta vs tors. theta energy: -55.154
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: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -631.015300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.015300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.015300 (E_RNA)
where:
Base-Base interactions energy: -293.568
where: short stacking energy: -188.649
Base-Backbone interact. energy: -1.254
local terms energy: -336.193461
where:
bonds (distance) C4'-P energy: -95.658
bonds (distance) P-C4' energy: -121.615
flat angles C4'-P-C4' energy: -92.203
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: 0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -492.441871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.441871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.441871 (E_RNA)
where:
Base-Base interactions energy: -192.036
where: short stacking energy: -138.582
Base-Backbone interact. energy: 0.590
local terms energy: -300.995297
where:
bonds (distance) C4'-P energy: -86.938
bonds (distance) P-C4' energy: -99.083
flat angles C4'-P-C4' energy: -87.511
flat angles P-C4'-P energy: -60.674
tors. eta vs tors. theta energy: 33.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -511.307499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.307499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.307499 (E_RNA)
where:
Base-Base interactions energy: -175.465
where: short stacking energy: -134.763
Base-Backbone interact. energy: -3.075
local terms energy: -332.767826
where:
bonds (distance) C4'-P energy: -105.799
bonds (distance) P-C4' energy: -85.466
flat angles C4'-P-C4' energy: -101.773
flat angles P-C4'-P energy: -52.457
tors. eta vs tors. theta energy: 12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1812.733843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.733843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.733843 (E_RNA)
where:
Base-Base interactions energy: -1208.809
where: short stacking energy: -532.884
Base-Backbone interact. energy: -3.821
local terms energy: -600.104459
where:
bonds (distance) C4'-P energy: -111.639
bonds (distance) P-C4' energy: -118.753
flat angles C4'-P-C4' energy: -136.968
flat angles P-C4'-P energy: -85.143
tors. eta vs tors. theta energy: -147.602
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: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1784.528030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.528030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.528030 (E_RNA)
where:
Base-Base interactions energy: -1209.731
where: short stacking energy: -486.489
Base-Backbone interact. energy: -4.042
local terms energy: -570.755189
where:
bonds (distance) C4'-P energy: -117.705
bonds (distance) P-C4' energy: -118.523
flat angles C4'-P-C4' energy: -128.214
flat angles P-C4'-P energy: -68.835
tors. eta vs tors. theta energy: -137.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1635.101151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.101151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.101151 (E_RNA)
where:
Base-Base interactions energy: -1093.557
where: short stacking energy: -463.581
Base-Backbone interact. energy: 0.906
local terms energy: -542.449945
where:
bonds (distance) C4'-P energy: -110.589
bonds (distance) P-C4' energy: -110.092
flat angles C4'-P-C4' energy: -120.385
flat angles P-C4'-P energy: -73.681
tors. eta vs tors. theta energy: -127.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1547.352829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.352829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.352829 (E_RNA)
where:
Base-Base interactions energy: -1011.060
where: short stacking energy: -453.651
Base-Backbone interact. energy: 2.833
local terms energy: -539.125792
where:
bonds (distance) C4'-P energy: -99.095
bonds (distance) P-C4' energy: -110.793
flat angles C4'-P-C4' energy: -126.813
flat angles P-C4'-P energy: -86.480
tors. eta vs tors. theta energy: -115.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1445.340422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.340422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.340422 (E_RNA)
where:
Base-Base interactions energy: -964.850
where: short stacking energy: -420.728
Base-Backbone interact. energy: -1.442
local terms energy: -479.047555
where:
bonds (distance) C4'-P energy: -91.253
bonds (distance) P-C4' energy: -102.849
flat angles C4'-P-C4' energy: -105.652
flat angles P-C4'-P energy: -71.067
tors. eta vs tors. theta energy: -108.226
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: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1190.150452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.150452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.150452 (E_RNA)
where:
Base-Base interactions energy: -755.735
where: short stacking energy: -339.181
Base-Backbone interact. energy: -2.569
local terms energy: -431.846371
where:
bonds (distance) C4'-P energy: -91.545
bonds (distance) P-C4' energy: -96.156
flat angles C4'-P-C4' energy: -118.955
flat angles P-C4'-P energy: -66.060
tors. eta vs tors. theta energy: -59.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1009.177228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.177228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.177228 (E_RNA)
where:
Base-Base interactions energy: -582.998
where: short stacking energy: -283.642
Base-Backbone interact. energy: -2.938
local terms energy: -423.241067
where:
bonds (distance) C4'-P energy: -114.894
bonds (distance) P-C4' energy: -116.492
flat angles C4'-P-C4' energy: -90.845
flat angles P-C4'-P energy: -60.925
tors. eta vs tors. theta energy: -40.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -637.508395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.508395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.508395 (E_RNA)
where:
Base-Base interactions energy: -279.402
where: short stacking energy: -182.241
Base-Backbone interact. energy: -1.199
local terms energy: -356.907491
where:
bonds (distance) C4'-P energy: -91.776
bonds (distance) P-C4' energy: -98.190
flat angles C4'-P-C4' energy: -91.212
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: -34.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -576.571702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.571702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.571702 (E_RNA)
where:
Base-Base interactions energy: -232.807
where: short stacking energy: -152.643
Base-Backbone interact. energy: 1.169
local terms energy: -344.934415
where:
bonds (distance) C4'-P energy: -101.258
bonds (distance) P-C4' energy: -89.619
flat angles C4'-P-C4' energy: -99.943
flat angles P-C4'-P energy: -44.628
tors. eta vs tors. theta energy: -9.486
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: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -492.138833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.138833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.138833 (E_RNA)
where:
Base-Base interactions energy: -196.754
where: short stacking energy: -133.888
Base-Backbone interact. energy: -1.663
local terms energy: -293.720963
where:
bonds (distance) C4'-P energy: -84.803
bonds (distance) P-C4' energy: -97.770
flat angles C4'-P-C4' energy: -69.786
flat angles P-C4'-P energy: -56.390
tors. eta vs tors. theta energy: 15.028
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: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1819.791396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.791396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.791396 (E_RNA)
where:
Base-Base interactions energy: -1209.539
where: short stacking energy: -546.185
Base-Backbone interact. energy: -2.611
local terms energy: -607.641206
where:
bonds (distance) C4'-P energy: -115.128
bonds (distance) P-C4' energy: -113.292
flat angles C4'-P-C4' energy: -134.426
flat angles P-C4'-P energy: -95.311
tors. eta vs tors. theta energy: -149.484
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1768.421490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.421490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.421490 (E_RNA)
where:
Base-Base interactions energy: -1184.098
where: short stacking energy: -495.758
Base-Backbone interact. energy: -0.918
local terms energy: -583.405344
where:
bonds (distance) C4'-P energy: -110.380
bonds (distance) P-C4' energy: -116.272
flat angles C4'-P-C4' energy: -127.093
flat angles P-C4'-P energy: -77.884
tors. eta vs tors. theta energy: -151.777
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: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1633.533016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.533016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.533016 (E_RNA)
where:
Base-Base interactions energy: -1093.692
where: short stacking energy: -442.825
Base-Backbone interact. energy: -2.230
local terms energy: -537.610769
where:
bonds (distance) C4'-P energy: -121.862
bonds (distance) P-C4' energy: -111.700
flat angles C4'-P-C4' energy: -108.158
flat angles P-C4'-P energy: -70.453
tors. eta vs tors. theta energy: -125.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1620.778293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.778293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.778293 (E_RNA)
where:
Base-Base interactions energy: -1071.826
where: short stacking energy: -465.721
Base-Backbone interact. energy: -2.282
local terms energy: -546.670313
where:
bonds (distance) C4'-P energy: -111.944
bonds (distance) P-C4' energy: -116.042
flat angles C4'-P-C4' energy: -123.913
flat angles P-C4'-P energy: -69.167
tors. eta vs tors. theta energy: -125.604
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: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1449.317269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.317269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.317269 (E_RNA)
where:
Base-Base interactions energy: -940.657
where: short stacking energy: -436.730
Base-Backbone interact. energy: -3.349
local terms energy: -505.311317
where:
bonds (distance) C4'-P energy: -113.980
bonds (distance) P-C4' energy: -110.692
flat angles C4'-P-C4' energy: -112.661
flat angles P-C4'-P energy: -57.045
tors. eta vs tors. theta energy: -110.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1183.825072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.825072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.825072 (E_RNA)
where:
Base-Base interactions energy: -770.979
where: short stacking energy: -329.326
Base-Backbone interact. energy: -0.083
local terms energy: -412.763900
where:
bonds (distance) C4'-P energy: -102.504
bonds (distance) P-C4' energy: -83.059
flat angles C4'-P-C4' energy: -112.659
flat angles P-C4'-P energy: -50.857
tors. eta vs tors. theta energy: -63.685
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: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1033.287802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.287802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.287802 (E_RNA)
where:
Base-Base interactions energy: -595.340
where: short stacking energy: -281.375
Base-Backbone interact. energy: -1.242
local terms energy: -436.705328
where:
bonds (distance) C4'-P energy: -101.591
bonds (distance) P-C4' energy: -104.098
flat angles C4'-P-C4' energy: -113.539
flat angles P-C4'-P energy: -58.001
tors. eta vs tors. theta energy: -59.476
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: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -647.090910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.090910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.090910 (E_RNA)
where:
Base-Base interactions energy: -308.653
where: short stacking energy: -177.798
Base-Backbone interact. energy: -2.575
local terms energy: -335.862734
where:
bonds (distance) C4'-P energy: -99.732
bonds (distance) P-C4' energy: -97.755
flat angles C4'-P-C4' energy: -98.904
flat angles P-C4'-P energy: -38.074
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -638.943154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.943154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.943154 (E_RNA)
where:
Base-Base interactions energy: -259.861
where: short stacking energy: -158.195
Base-Backbone interact. energy: 0.309
local terms energy: -379.391694
where:
bonds (distance) C4'-P energy: -126.120
bonds (distance) P-C4' energy: -101.131
flat angles C4'-P-C4' energy: -102.357
flat angles P-C4'-P energy: -53.939
tors. eta vs tors. theta energy: 4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -527.870808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.870808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.870808 (E_RNA)
where:
Base-Base interactions energy: -230.548
where: short stacking energy: -140.428
Base-Backbone interact. energy: -1.627
local terms energy: -295.695402
where:
bonds (distance) C4'-P energy: -93.523
bonds (distance) P-C4' energy: -94.594
flat angles C4'-P-C4' energy: -70.587
flat angles P-C4'-P energy: -46.458
tors. eta vs tors. theta energy: 9.466
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: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1844.613058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.613058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.613058 (E_RNA)
where:
Base-Base interactions energy: -1235.523
where: short stacking energy: -537.587
Base-Backbone interact. energy: -4.958
local terms energy: -604.132061
where:
bonds (distance) C4'-P energy: -117.580
bonds (distance) P-C4' energy: -121.117
flat angles C4'-P-C4' energy: -136.181
flat angles P-C4'-P energy: -77.348
tors. eta vs tors. theta energy: -151.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1743.077490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.077490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.077490 (E_RNA)
where:
Base-Base interactions energy: -1150.541
where: short stacking energy: -525.516
Base-Backbone interact. energy: -1.288
local terms energy: -591.248911
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -116.520
flat angles C4'-P-C4' energy: -141.127
flat angles P-C4'-P energy: -87.575
tors. eta vs tors. theta energy: -145.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1639.812166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.812166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.812166 (E_RNA)
where:
Base-Base interactions energy: -1099.696
where: short stacking energy: -485.137
Base-Backbone interact. energy: -1.609
local terms energy: -538.506711
where:
bonds (distance) C4'-P energy: -90.127
bonds (distance) P-C4' energy: -115.193
flat angles C4'-P-C4' energy: -121.728
flat angles P-C4'-P energy: -79.466
tors. eta vs tors. theta energy: -131.992
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: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1644.276025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.276025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.276025 (E_RNA)
where:
Base-Base interactions energy: -1124.125
where: short stacking energy: -461.378
Base-Backbone interact. energy: -5.157
local terms energy: -514.993745
where:
bonds (distance) C4'-P energy: -105.319
bonds (distance) P-C4' energy: -109.516
flat angles C4'-P-C4' energy: -111.970
flat angles P-C4'-P energy: -77.154
tors. eta vs tors. theta energy: -111.035
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: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1421.636479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.636479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.636479 (E_RNA)
where:
Base-Base interactions energy: -919.476
where: short stacking energy: -417.538
Base-Backbone interact. energy: -0.355
local terms energy: -501.805255
where:
bonds (distance) C4'-P energy: -88.851
bonds (distance) P-C4' energy: -105.673
flat angles C4'-P-C4' energy: -125.893
flat angles P-C4'-P energy: -82.487
tors. eta vs tors. theta energy: -98.901
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: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1189.601654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.601654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.601654 (E_RNA)
where:
Base-Base interactions energy: -747.015
where: short stacking energy: -346.380
Base-Backbone interact. energy: 4.257
local terms energy: -446.843729
where:
bonds (distance) C4'-P energy: -98.359
bonds (distance) P-C4' energy: -111.960
flat angles C4'-P-C4' energy: -104.287
flat angles P-C4'-P energy: -71.957
tors. eta vs tors. theta energy: -60.281
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: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -961.606438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.606438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.606438 (E_RNA)
where:
Base-Base interactions energy: -557.285
where: short stacking energy: -263.648
Base-Backbone interact. energy: 1.093
local terms energy: -405.413527
where:
bonds (distance) C4'-P energy: -92.279
bonds (distance) P-C4' energy: -117.056
flat angles C4'-P-C4' energy: -104.682
flat angles P-C4'-P energy: -43.294
tors. eta vs tors. theta energy: -48.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -628.812283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.812283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.812283 (E_RNA)
where:
Base-Base interactions energy: -301.158
where: short stacking energy: -205.056
Base-Backbone interact. energy: 2.137
local terms energy: -329.790739
where:
bonds (distance) C4'-P energy: -86.406
bonds (distance) P-C4' energy: -96.728
flat angles C4'-P-C4' energy: -78.467
flat angles P-C4'-P energy: -50.932
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -590.687158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.687158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.687158 (E_RNA)
where:
Base-Base interactions energy: -258.078
where: short stacking energy: -163.545
Base-Backbone interact. energy: -1.063
local terms energy: -331.546313
where:
bonds (distance) C4'-P energy: -89.736
bonds (distance) P-C4' energy: -107.340
flat angles C4'-P-C4' energy: -88.738
flat angles P-C4'-P energy: -45.459
tors. eta vs tors. theta energy: -0.273
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: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -527.084036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.084036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.084036 (E_RNA)
where:
Base-Base interactions energy: -221.555
where: short stacking energy: -123.655
Base-Backbone interact. energy: -0.611
local terms energy: -304.918648
where:
bonds (distance) C4'-P energy: -92.161
bonds (distance) P-C4' energy: -88.517
flat angles C4'-P-C4' energy: -88.090
flat angles P-C4'-P energy: -50.292
tors. eta vs tors. theta energy: 14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1837.190014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.190014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.190014 (E_RNA)
where:
Base-Base interactions energy: -1248.055
where: short stacking energy: -516.212
Base-Backbone interact. energy: -1.801
local terms energy: -587.333466
where:
bonds (distance) C4'-P energy: -96.903
bonds (distance) P-C4' energy: -115.739
flat angles C4'-P-C4' energy: -133.780
flat angles P-C4'-P energy: -92.760
tors. eta vs tors. theta energy: -148.152
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: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1722.612003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.612003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.612003 (E_RNA)
where:
Base-Base interactions energy: -1117.251
where: short stacking energy: -499.742
Base-Backbone interact. energy: -4.269
local terms energy: -601.091576
where:
bonds (distance) C4'-P energy: -115.184
bonds (distance) P-C4' energy: -128.298
flat angles C4'-P-C4' energy: -138.318
flat angles P-C4'-P energy: -72.034
tors. eta vs tors. theta energy: -147.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1672.835628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.835628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.835628 (E_RNA)
where:
Base-Base interactions energy: -1117.779
where: short stacking energy: -476.056
Base-Backbone interact. energy: -3.344
local terms energy: -551.711751
where:
bonds (distance) C4'-P energy: -102.108
bonds (distance) P-C4' energy: -112.340
flat angles C4'-P-C4' energy: -121.367
flat angles P-C4'-P energy: -82.559
tors. eta vs tors. theta energy: -133.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1634.183145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.183145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.183145 (E_RNA)
where:
Base-Base interactions energy: -1117.089
where: short stacking energy: -458.990
Base-Backbone interact. energy: -0.468
local terms energy: -516.626115
where:
bonds (distance) C4'-P energy: -106.507
bonds (distance) P-C4' energy: -100.794
flat angles C4'-P-C4' energy: -111.349
flat angles P-C4'-P energy: -76.798
tors. eta vs tors. theta energy: -121.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1434.133027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.133027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.133027 (E_RNA)
where:
Base-Base interactions energy: -932.998
where: short stacking energy: -418.390
Base-Backbone interact. energy: -2.183
local terms energy: -498.952077
where:
bonds (distance) C4'-P energy: -102.768
bonds (distance) P-C4' energy: -100.275
flat angles C4'-P-C4' energy: -110.003
flat angles P-C4'-P energy: -67.743
tors. eta vs tors. theta energy: -118.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1248.910468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.910468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.910468 (E_RNA)
where:
Base-Base interactions energy: -765.106
where: short stacking energy: -354.151
Base-Backbone interact. energy: 1.593
local terms energy: -485.397141
where:
bonds (distance) C4'-P energy: -117.424
bonds (distance) P-C4' energy: -99.123
flat angles C4'-P-C4' energy: -116.716
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -82.179
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: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -970.124430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.124430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.124430 (E_RNA)
where:
Base-Base interactions energy: -547.637
where: short stacking energy: -271.894
Base-Backbone interact. energy: 0.874
local terms energy: -423.361401
where:
bonds (distance) C4'-P energy: -94.719
bonds (distance) P-C4' energy: -103.741
flat angles C4'-P-C4' energy: -109.387
flat angles P-C4'-P energy: -63.204
tors. eta vs tors. theta energy: -52.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -632.200483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.200483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.200483 (E_RNA)
where:
Base-Base interactions energy: -273.966
where: short stacking energy: -184.395
Base-Backbone interact. energy: 2.192
local terms energy: -360.425821
where:
bonds (distance) C4'-P energy: -83.280
bonds (distance) P-C4' energy: -109.275
flat angles C4'-P-C4' energy: -91.426
flat angles P-C4'-P energy: -67.466
tors. eta vs tors. theta energy: -8.979
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: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -693.712156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.712156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.712156 (E_RNA)
where:
Base-Base interactions energy: -339.106
where: short stacking energy: -209.471
Base-Backbone interact. energy: -1.979
local terms energy: -352.627434
where:
bonds (distance) C4'-P energy: -105.984
bonds (distance) P-C4' energy: -103.882
flat angles C4'-P-C4' energy: -83.753
flat angles P-C4'-P energy: -39.475
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -509.688849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.688849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.688849 (E_RNA)
where:
Base-Base interactions energy: -217.217
where: short stacking energy: -140.321
Base-Backbone interact. energy: -1.003
local terms energy: -291.469104
where:
bonds (distance) C4'-P energy: -91.128
bonds (distance) P-C4' energy: -90.604
flat angles C4'-P-C4' energy: -90.239
flat angles P-C4'-P energy: -41.900
tors. eta vs tors. theta energy: 22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1836.184521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.184521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.184521 (E_RNA)
where:
Base-Base interactions energy: -1244.668
where: short stacking energy: -541.429
Base-Backbone interact. energy: -3.787
local terms energy: -587.729304
where:
bonds (distance) C4'-P energy: -106.901
bonds (distance) P-C4' energy: -112.157
flat angles C4'-P-C4' energy: -131.361
flat angles P-C4'-P energy: -78.458
tors. eta vs tors. theta energy: -158.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1781.198579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.198579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.198579 (E_RNA)
where:
Base-Base interactions energy: -1203.336
where: short stacking energy: -544.480
Base-Backbone interact. energy: -1.183
local terms energy: -576.679656
where:
bonds (distance) C4'-P energy: -105.371
bonds (distance) P-C4' energy: -117.752
flat angles C4'-P-C4' energy: -121.371
flat angles P-C4'-P energy: -73.319
tors. eta vs tors. theta energy: -158.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1679.051315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.051315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.051315 (E_RNA)
where:
Base-Base interactions energy: -1104.902
where: short stacking energy: -488.110
Base-Backbone interact. energy: -4.504
local terms energy: -569.645863
where:
bonds (distance) C4'-P energy: -111.856
bonds (distance) P-C4' energy: -126.206
flat angles C4'-P-C4' energy: -125.260
flat angles P-C4'-P energy: -73.690
tors. eta vs tors. theta energy: -132.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1635.652098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.652098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.652098 (E_RNA)
where:
Base-Base interactions energy: -1109.015
where: short stacking energy: -472.417
Base-Backbone interact. energy: -4.544
local terms energy: -522.092736
where:
bonds (distance) C4'-P energy: -99.958
bonds (distance) P-C4' energy: -114.974
flat angles C4'-P-C4' energy: -115.639
flat angles P-C4'-P energy: -80.350
tors. eta vs tors. theta energy: -111.172
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: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1410.197774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.197774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.197774 (E_RNA)
where:
Base-Base interactions energy: -881.833
where: short stacking energy: -412.795
Base-Backbone interact. energy: 0.341
local terms energy: -528.705605
where:
bonds (distance) C4'-P energy: -110.408
bonds (distance) P-C4' energy: -109.254
flat angles C4'-P-C4' energy: -119.858
flat angles P-C4'-P energy: -74.497
tors. eta vs tors. theta energy: -114.688
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: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1280.036176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.036176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.036176 (E_RNA)
where:
Base-Base interactions energy: -846.805
where: short stacking energy: -380.882
Base-Backbone interact. energy: -2.694
local terms energy: -430.537612
where:
bonds (distance) C4'-P energy: -98.352
bonds (distance) P-C4' energy: -93.948
flat angles C4'-P-C4' energy: -95.025
flat angles P-C4'-P energy: -57.511
tors. eta vs tors. theta energy: -85.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1101.622782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.622782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.622782 (E_RNA)
where:
Base-Base interactions energy: -670.120
where: short stacking energy: -301.653
Base-Backbone interact. energy: -3.057
local terms energy: -428.445847
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -97.416
flat angles C4'-P-C4' energy: -85.093
flat angles P-C4'-P energy: -70.251
tors. eta vs tors. theta energy: -69.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -686.577745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.577745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.577745 (E_RNA)
where:
Base-Base interactions energy: -340.245
where: short stacking energy: -205.070
Base-Backbone interact. energy: -0.641
local terms energy: -345.691211
where:
bonds (distance) C4'-P energy: -97.621
bonds (distance) P-C4' energy: -98.960
flat angles C4'-P-C4' energy: -77.417
flat angles P-C4'-P energy: -61.036
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -682.388229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.388229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.388229 (E_RNA)
where:
Base-Base interactions energy: -350.644
where: short stacking energy: -196.791
Base-Backbone interact. energy: 0.324
local terms energy: -332.067883
where:
bonds (distance) C4'-P energy: -86.346
bonds (distance) P-C4' energy: -103.038
flat angles C4'-P-C4' energy: -74.675
flat angles P-C4'-P energy: -55.867
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -531.055362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.055362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.055362 (E_RNA)
where:
Base-Base interactions energy: -236.367
where: short stacking energy: -142.575
Base-Backbone interact. energy: -0.637
local terms energy: -294.051362
where:
bonds (distance) C4'-P energy: -91.901
bonds (distance) P-C4' energy: -116.257
flat angles C4'-P-C4' energy: -67.591
flat angles P-C4'-P energy: -51.520
tors. eta vs tors. theta energy: 33.218
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: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1858.458883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.458883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.458883 (E_RNA)
where:
Base-Base interactions energy: -1257.528
where: short stacking energy: -541.677
Base-Backbone interact. energy: -4.054
local terms energy: -596.876533
where:
bonds (distance) C4'-P energy: -126.678
bonds (distance) P-C4' energy: -108.322
flat angles C4'-P-C4' energy: -136.069
flat angles P-C4'-P energy: -74.811
tors. eta vs tors. theta energy: -150.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1780.611405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.611405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.611405 (E_RNA)
where:
Base-Base interactions energy: -1184.200
where: short stacking energy: -518.419
Base-Backbone interact. energy: -3.513
local terms energy: -592.898461
where:
bonds (distance) C4'-P energy: -109.968
bonds (distance) P-C4' energy: -125.391
flat angles C4'-P-C4' energy: -120.542
flat angles P-C4'-P energy: -84.331
tors. eta vs tors. theta energy: -152.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1667.415929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.415929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.415929 (E_RNA)
where:
Base-Base interactions energy: -1080.942
where: short stacking energy: -466.116
Base-Backbone interact. energy: 1.240
local terms energy: -587.714352
where:
bonds (distance) C4'-P energy: -117.515
bonds (distance) P-C4' energy: -115.390
flat angles C4'-P-C4' energy: -116.354
flat angles P-C4'-P energy: -97.042
tors. eta vs tors. theta energy: -141.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1602.410209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.410209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.410209 (E_RNA)
where:
Base-Base interactions energy: -1069.562
where: short stacking energy: -477.403
Base-Backbone interact. energy: -2.287
local terms energy: -530.560612
where:
bonds (distance) C4'-P energy: -105.245
bonds (distance) P-C4' energy: -110.320
flat angles C4'-P-C4' energy: -118.380
flat angles P-C4'-P energy: -72.617
tors. eta vs tors. theta energy: -123.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1470.958181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.958181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.958181 (E_RNA)
where:
Base-Base interactions energy: -990.653
where: short stacking energy: -428.106
Base-Backbone interact. energy: 1.593
local terms energy: -481.898453
where:
bonds (distance) C4'-P energy: -94.865
bonds (distance) P-C4' energy: -99.993
flat angles C4'-P-C4' energy: -111.356
flat angles P-C4'-P energy: -71.380
tors. eta vs tors. theta energy: -104.305
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: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1167.267838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.267838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.267838 (E_RNA)
where:
Base-Base interactions energy: -710.381
where: short stacking energy: -349.958
Base-Backbone interact. energy: 0.031
local terms energy: -456.917602
where:
bonds (distance) C4'-P energy: -103.126
bonds (distance) P-C4' energy: -108.327
flat angles C4'-P-C4' energy: -111.603
flat angles P-C4'-P energy: -57.645
tors. eta vs tors. theta energy: -76.218
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: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1189.126707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.126707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.126707 (E_RNA)
where:
Base-Base interactions energy: -746.698
where: short stacking energy: -345.671
Base-Backbone interact. energy: -1.507
local terms energy: -440.922032
where:
bonds (distance) C4'-P energy: -93.838
bonds (distance) P-C4' energy: -99.750
flat angles C4'-P-C4' energy: -100.469
flat angles P-C4'-P energy: -74.327
tors. eta vs tors. theta energy: -72.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -697.820360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.820360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.820360 (E_RNA)
where:
Base-Base interactions energy: -355.374
where: short stacking energy: -210.114
Base-Backbone interact. energy: 7.390
local terms energy: -349.836789
where:
bonds (distance) C4'-P energy: -86.578
bonds (distance) P-C4' energy: -97.847
flat angles C4'-P-C4' energy: -96.781
flat angles P-C4'-P energy: -60.785
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -636.553794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.553794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.553794 (E_RNA)
where:
Base-Base interactions energy: -303.706
where: short stacking energy: -167.505
Base-Backbone interact. energy: -1.976
local terms energy: -330.872171
where:
bonds (distance) C4'-P energy: -107.697
bonds (distance) P-C4' energy: -101.352
flat angles C4'-P-C4' energy: -69.132
flat angles P-C4'-P energy: -53.293
tors. eta vs tors. theta energy: 0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -533.796160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.796160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.796160 (E_RNA)
where:
Base-Base interactions energy: -225.736
where: short stacking energy: -157.322
Base-Backbone interact. energy: -0.893
local terms energy: -307.167512
where:
bonds (distance) C4'-P energy: -87.289
bonds (distance) P-C4' energy: -100.593
flat angles C4'-P-C4' energy: -68.448
flat angles P-C4'-P energy: -55.265
tors. eta vs tors. theta energy: 4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1880.381147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.381147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.381147 (E_RNA)
where:
Base-Base interactions energy: -1280.865
where: short stacking energy: -549.326
Base-Backbone interact. energy: -2.204
local terms energy: -597.312683
where:
bonds (distance) C4'-P energy: -112.700
bonds (distance) P-C4' energy: -117.840
flat angles C4'-P-C4' energy: -128.330
flat angles P-C4'-P energy: -81.049
tors. eta vs tors. theta energy: -157.393
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: 2, replica: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1832.094758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.094758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.094758 (E_RNA)
where:
Base-Base interactions energy: -1210.182
where: short stacking energy: -524.725
Base-Backbone interact. energy: -1.522
local terms energy: -620.391477
where:
bonds (distance) C4'-P energy: -115.344
bonds (distance) P-C4' energy: -126.130
flat angles C4'-P-C4' energy: -133.275
flat angles P-C4'-P energy: -80.902
tors. eta vs tors. theta energy: -164.740
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: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1659.420806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.420806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.420806 (E_RNA)
where:
Base-Base interactions energy: -1110.426
where: short stacking energy: -504.431
Base-Backbone interact. energy: -0.590
local terms energy: -548.405121
where:
bonds (distance) C4'-P energy: -109.409
bonds (distance) P-C4' energy: -113.634
flat angles C4'-P-C4' energy: -110.666
flat angles P-C4'-P energy: -75.251
tors. eta vs tors. theta energy: -139.446
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: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1643.232911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.232911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.232911 (E_RNA)
where:
Base-Base interactions energy: -1127.836
where: short stacking energy: -473.804
Base-Backbone interact. energy: -1.241
local terms energy: -514.156033
where:
bonds (distance) C4'-P energy: -104.343
bonds (distance) P-C4' energy: -104.265
flat angles C4'-P-C4' energy: -122.332
flat angles P-C4'-P energy: -67.574
tors. eta vs tors. theta energy: -115.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1557.744202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.744202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.744202 (E_RNA)
where:
Base-Base interactions energy: -1035.324
where: short stacking energy: -460.707
Base-Backbone interact. energy: -2.806
local terms energy: -519.613877
where:
bonds (distance) C4'-P energy: -111.209
bonds (distance) P-C4' energy: -101.522
flat angles C4'-P-C4' energy: -121.900
flat angles P-C4'-P energy: -66.501
tors. eta vs tors. theta energy: -118.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1199.306809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.306809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.306809 (E_RNA)
where:
Base-Base interactions energy: -744.154
where: short stacking energy: -330.662
Base-Backbone interact. energy: -3.368
local terms energy: -451.784295
where:
bonds (distance) C4'-P energy: -105.702
bonds (distance) P-C4' energy: -100.408
flat angles C4'-P-C4' energy: -117.267
flat angles P-C4'-P energy: -56.240
tors. eta vs tors. theta energy: -72.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1019.221230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.221230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.221230 (E_RNA)
where:
Base-Base interactions energy: -567.403
where: short stacking energy: -294.941
Base-Backbone interact. energy: -0.576
local terms energy: -451.242831
where:
bonds (distance) C4'-P energy: -105.492
bonds (distance) P-C4' energy: -102.668
flat angles C4'-P-C4' energy: -118.197
flat angles P-C4'-P energy: -65.718
tors. eta vs tors. theta energy: -59.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -681.005016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.005016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.005016 (E_RNA)
where:
Base-Base interactions energy: -338.953
where: short stacking energy: -191.832
Base-Backbone interact. energy: 0.138
local terms energy: -342.190264
where:
bonds (distance) C4'-P energy: -89.034
bonds (distance) P-C4' energy: -95.661
flat angles C4'-P-C4' energy: -85.284
flat angles P-C4'-P energy: -61.801
tors. eta vs tors. theta energy: -10.411
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: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -654.481016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.481016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.481016 (E_RNA)
where:
Base-Base interactions energy: -333.983
where: short stacking energy: -149.734
Base-Backbone interact. energy: -3.652
local terms energy: -316.846122
where:
bonds (distance) C4'-P energy: -69.998
bonds (distance) P-C4' energy: -118.472
flat angles C4'-P-C4' energy: -88.194
flat angles P-C4'-P energy: -49.863
tors. eta vs tors. theta energy: 9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -503.596518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.596518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.596518 (E_RNA)
where:
Base-Base interactions energy: -218.603
where: short stacking energy: -143.792
Base-Backbone interact. energy: 7.225
local terms energy: -292.218281
where:
bonds (distance) C4'-P energy: -83.300
bonds (distance) P-C4' energy: -99.766
flat angles C4'-P-C4' energy: -66.040
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: 12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1841.826040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.826040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.826040 (E_RNA)
where:
Base-Base interactions energy: -1245.265
where: short stacking energy: -515.502
Base-Backbone interact. energy: -3.842
local terms energy: -592.718880
where:
bonds (distance) C4'-P energy: -121.575
bonds (distance) P-C4' energy: -110.163
flat angles C4'-P-C4' energy: -137.100
flat angles P-C4'-P energy: -75.156
tors. eta vs tors. theta energy: -148.725
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: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1773.828391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.828391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.828391 (E_RNA)
where:
Base-Base interactions energy: -1205.327
where: short stacking energy: -520.184
Base-Backbone interact. energy: -3.637
local terms energy: -564.864492
where:
bonds (distance) C4'-P energy: -118.555
bonds (distance) P-C4' energy: -108.186
flat angles C4'-P-C4' energy: -121.436
flat angles P-C4'-P energy: -67.669
tors. eta vs tors. theta energy: -149.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1624.305448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.305448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.305448 (E_RNA)
where:
Base-Base interactions energy: -1057.606
where: short stacking energy: -487.617
Base-Backbone interact. energy: -2.464
local terms energy: -564.235472
where:
bonds (distance) C4'-P energy: -113.253
bonds (distance) P-C4' energy: -108.984
flat angles C4'-P-C4' energy: -132.895
flat angles P-C4'-P energy: -77.778
tors. eta vs tors. theta energy: -131.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1630.399678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.399678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.399678 (E_RNA)
where:
Base-Base interactions energy: -1112.594
where: short stacking energy: -450.747
Base-Backbone interact. energy: -1.071
local terms energy: -516.734556
where:
bonds (distance) C4'-P energy: -109.216
bonds (distance) P-C4' energy: -111.158
flat angles C4'-P-C4' energy: -121.794
flat angles P-C4'-P energy: -77.585
tors. eta vs tors. theta energy: -96.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1529.190262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.190262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.190262 (E_RNA)
where:
Base-Base interactions energy: -1016.498
where: short stacking energy: -462.353
Base-Backbone interact. energy: -1.750
local terms energy: -510.942317
where:
bonds (distance) C4'-P energy: -89.745
bonds (distance) P-C4' energy: -123.957
flat angles C4'-P-C4' energy: -109.081
flat angles P-C4'-P energy: -70.606
tors. eta vs tors. theta energy: -117.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1276.870925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.870925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.870925 (E_RNA)
where:
Base-Base interactions energy: -798.618
where: short stacking energy: -363.336
Base-Backbone interact. energy: -2.437
local terms energy: -475.815465
where:
bonds (distance) C4'-P energy: -98.760
bonds (distance) P-C4' energy: -119.295
flat angles C4'-P-C4' energy: -102.193
flat angles P-C4'-P energy: -72.713
tors. eta vs tors. theta energy: -82.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1074.586374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.586374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.586374 (E_RNA)
where:
Base-Base interactions energy: -656.561
where: short stacking energy: -301.576
Base-Backbone interact. energy: -3.895
local terms energy: -414.130542
where:
bonds (distance) C4'-P energy: -102.877
bonds (distance) P-C4' energy: -99.118
flat angles C4'-P-C4' energy: -103.816
flat angles P-C4'-P energy: -58.654
tors. eta vs tors. theta energy: -49.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -705.911566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.911566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.911566 (E_RNA)
where:
Base-Base interactions energy: -346.113
where: short stacking energy: -218.833
Base-Backbone interact. energy: 2.758
local terms energy: -362.556920
where:
bonds (distance) C4'-P energy: -91.466
bonds (distance) P-C4' energy: -96.102
flat angles C4'-P-C4' energy: -83.707
flat angles P-C4'-P energy: -64.901
tors. eta vs tors. theta energy: -26.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -617.859114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.859114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.859114 (E_RNA)
where:
Base-Base interactions energy: -287.858
where: short stacking energy: -172.095
Base-Backbone interact. energy: 4.127
local terms energy: -334.128217
where:
bonds (distance) C4'-P energy: -95.464
bonds (distance) P-C4' energy: -108.747
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -50.267
tors. eta vs tors. theta energy: 13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -505.913397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.913397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.913397 (E_RNA)
where:
Base-Base interactions energy: -219.252
where: short stacking energy: -140.816
Base-Backbone interact. energy: -1.336
local terms energy: -285.325196
where:
bonds (distance) C4'-P energy: -86.886
bonds (distance) P-C4' energy: -111.525
flat angles C4'-P-C4' energy: -76.017
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: 17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1859.794007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.794007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.794007 (E_RNA)
where:
Base-Base interactions energy: -1267.325
where: short stacking energy: -567.853
Base-Backbone interact. energy: -2.270
local terms energy: -590.198675
where:
bonds (distance) C4'-P energy: -120.017
bonds (distance) P-C4' energy: -105.990
flat angles C4'-P-C4' energy: -121.538
flat angles P-C4'-P energy: -81.438
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: 2, replica: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1807.840829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.840829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.840829 (E_RNA)
where:
Base-Base interactions energy: -1204.926
where: short stacking energy: -535.266
Base-Backbone interact. energy: -2.171
local terms energy: -600.744050
where:
bonds (distance) C4'-P energy: -115.077
bonds (distance) P-C4' energy: -115.578
flat angles C4'-P-C4' energy: -133.259
flat angles P-C4'-P energy: -79.305
tors. eta vs tors. theta energy: -157.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1631.420686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.420686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.420686 (E_RNA)
where:
Base-Base interactions energy: -1076.581
where: short stacking energy: -444.813
Base-Backbone interact. energy: 0.348
local terms energy: -555.187663
where:
bonds (distance) C4'-P energy: -111.800
bonds (distance) P-C4' energy: -106.916
flat angles C4'-P-C4' energy: -127.317
flat angles P-C4'-P energy: -75.957
tors. eta vs tors. theta energy: -133.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1622.718053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.718053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.718053 (E_RNA)
where:
Base-Base interactions energy: -1103.554
where: short stacking energy: -463.124
Base-Backbone interact. energy: -5.113
local terms energy: -514.051215
where:
bonds (distance) C4'-P energy: -115.498
bonds (distance) P-C4' energy: -104.416
flat angles C4'-P-C4' energy: -114.028
flat angles P-C4'-P energy: -66.735
tors. eta vs tors. theta energy: -113.375
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: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1580.461398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.461398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.461398 (E_RNA)
where:
Base-Base interactions energy: -1065.911
where: short stacking energy: -457.475
Base-Backbone interact. energy: -3.831
local terms energy: -510.719890
where:
bonds (distance) C4'-P energy: -113.418
bonds (distance) P-C4' energy: -84.148
flat angles C4'-P-C4' energy: -110.111
flat angles P-C4'-P energy: -85.836
tors. eta vs tors. theta energy: -117.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1266.551224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.551224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.551224 (E_RNA)
where:
Base-Base interactions energy: -818.931
where: short stacking energy: -356.521
Base-Backbone interact. energy: -1.367
local terms energy: -446.253486
where:
bonds (distance) C4'-P energy: -82.437
bonds (distance) P-C4' energy: -112.734
flat angles C4'-P-C4' energy: -110.477
flat angles P-C4'-P energy: -77.041
tors. eta vs tors. theta energy: -63.564
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: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1026.582530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.582530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.582530 (E_RNA)
where:
Base-Base interactions energy: -628.703
where: short stacking energy: -301.325
Base-Backbone interact. energy: -2.134
local terms energy: -395.745305
where:
bonds (distance) C4'-P energy: -91.638
bonds (distance) P-C4' energy: -100.315
flat angles C4'-P-C4' energy: -106.017
flat angles P-C4'-P energy: -46.416
tors. eta vs tors. theta energy: -51.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -768.972368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.972368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.972368 (E_RNA)
where:
Base-Base interactions energy: -403.455
where: short stacking energy: -221.382
Base-Backbone interact. energy: 3.018
local terms energy: -368.535542
where:
bonds (distance) C4'-P energy: -82.040
bonds (distance) P-C4' energy: -105.218
flat angles C4'-P-C4' energy: -100.370
flat angles P-C4'-P energy: -58.179
tors. eta vs tors. theta energy: -22.729
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: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -660.444324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.444324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.444324 (E_RNA)
where:
Base-Base interactions energy: -338.602
where: short stacking energy: -172.174
Base-Backbone interact. energy: 2.423
local terms energy: -324.265250
where:
bonds (distance) C4'-P energy: -93.502
bonds (distance) P-C4' energy: -102.410
flat angles C4'-P-C4' energy: -90.476
flat angles P-C4'-P energy: -43.718
tors. eta vs tors. theta energy: 5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -515.585521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.585521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.585521 (E_RNA)
where:
Base-Base interactions energy: -228.820
where: short stacking energy: -148.139
Base-Backbone interact. energy: -3.251
local terms energy: -283.514751
where:
bonds (distance) C4'-P energy: -90.146
bonds (distance) P-C4' energy: -107.994
flat angles C4'-P-C4' energy: -53.375
flat angles P-C4'-P energy: -48.919
tors. eta vs tors. theta energy: 16.920
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: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1860.107767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.107767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.107767 (E_RNA)
where:
Base-Base interactions energy: -1259.363
where: short stacking energy: -551.291
Base-Backbone interact. energy: -2.165
local terms energy: -598.579417
where:
bonds (distance) C4'-P energy: -116.666
bonds (distance) P-C4' energy: -118.992
flat angles C4'-P-C4' energy: -134.794
flat angles P-C4'-P energy: -75.931
tors. eta vs tors. theta energy: -152.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1803.470053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.470053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.470053 (E_RNA)
where:
Base-Base interactions energy: -1198.496
where: short stacking energy: -537.599
Base-Backbone interact. energy: -0.965
local terms energy: -604.009002
where:
bonds (distance) C4'-P energy: -107.816
bonds (distance) P-C4' energy: -112.863
flat angles C4'-P-C4' energy: -123.773
flat angles P-C4'-P energy: -98.989
tors. eta vs tors. theta energy: -160.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1600.158915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.158915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.158915 (E_RNA)
where:
Base-Base interactions energy: -1063.953
where: short stacking energy: -450.554
Base-Backbone interact. energy: -4.585
local terms energy: -531.621333
where:
bonds (distance) C4'-P energy: -110.718
bonds (distance) P-C4' energy: -110.272
flat angles C4'-P-C4' energy: -120.011
flat angles P-C4'-P energy: -71.693
tors. eta vs tors. theta energy: -118.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1640.749498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.749498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.749498 (E_RNA)
where:
Base-Base interactions energy: -1129.680
where: short stacking energy: -456.459
Base-Backbone interact. energy: -2.375
local terms energy: -508.694859
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -100.743
flat angles C4'-P-C4' energy: -112.458
flat angles P-C4'-P energy: -79.879
tors. eta vs tors. theta energy: -114.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1561.138686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.138686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.138686 (E_RNA)
where:
Base-Base interactions energy: -1052.493
where: short stacking energy: -446.622
Base-Backbone interact. energy: 0.575
local terms energy: -509.220820
where:
bonds (distance) C4'-P energy: -94.567
bonds (distance) P-C4' energy: -84.317
flat angles C4'-P-C4' energy: -133.532
flat angles P-C4'-P energy: -78.241
tors. eta vs tors. theta energy: -118.564
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: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1295.535487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.535487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.535487 (E_RNA)
where:
Base-Base interactions energy: -829.619
where: short stacking energy: -378.815
Base-Backbone interact. energy: -2.734
local terms energy: -463.182949
where:
bonds (distance) C4'-P energy: -102.439
bonds (distance) P-C4' energy: -110.255
flat angles C4'-P-C4' energy: -108.113
flat angles P-C4'-P energy: -78.078
tors. eta vs tors. theta energy: -64.299
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: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1003.836924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.836924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.836924 (E_RNA)
where:
Base-Base interactions energy: -581.767
where: short stacking energy: -289.660
Base-Backbone interact. energy: -2.002
local terms energy: -420.068111
where:
bonds (distance) C4'-P energy: -91.632
bonds (distance) P-C4' energy: -103.878
flat angles C4'-P-C4' energy: -88.473
flat angles P-C4'-P energy: -74.290
tors. eta vs tors. theta energy: -61.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -742.987946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.987946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.987946 (E_RNA)
where:
Base-Base interactions energy: -360.583
where: short stacking energy: -196.350
Base-Backbone interact. energy: -0.268
local terms energy: -382.137028
where:
bonds (distance) C4'-P energy: -88.299
bonds (distance) P-C4' energy: -105.065
flat angles C4'-P-C4' energy: -98.570
flat angles P-C4'-P energy: -64.631
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -618.909210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.909210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.909210 (E_RNA)
where:
Base-Base interactions energy: -280.923
where: short stacking energy: -141.063
Base-Backbone interact. energy: -0.542
local terms energy: -337.443938
where:
bonds (distance) C4'-P energy: -100.164
bonds (distance) P-C4' energy: -94.743
flat angles C4'-P-C4' energy: -80.238
flat angles P-C4'-P energy: -59.901
tors. eta vs tors. theta energy: -2.398
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: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -501.351128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.351128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.351128 (E_RNA)
where:
Base-Base interactions energy: -182.655
where: short stacking energy: -123.561
Base-Backbone interact. energy: -1.005
local terms energy: -317.690662
where:
bonds (distance) C4'-P energy: -72.758
bonds (distance) P-C4' energy: -107.288
flat angles C4'-P-C4' energy: -86.768
flat angles P-C4'-P energy: -49.152
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1853.130949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.130949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.130949 (E_RNA)
where:
Base-Base interactions energy: -1268.789
where: short stacking energy: -543.047
Base-Backbone interact. energy: -2.204
local terms energy: -582.137238
where:
bonds (distance) C4'-P energy: -108.011
bonds (distance) P-C4' energy: -116.969
flat angles C4'-P-C4' energy: -129.315
flat angles P-C4'-P energy: -88.434
tors. eta vs tors. theta energy: -139.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1774.211104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.211104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.211104 (E_RNA)
where:
Base-Base interactions energy: -1183.384
where: short stacking energy: -541.917
Base-Backbone interact. energy: -3.968
local terms energy: -586.859748
where:
bonds (distance) C4'-P energy: -102.233
bonds (distance) P-C4' energy: -117.121
flat angles C4'-P-C4' energy: -134.002
flat angles P-C4'-P energy: -76.417
tors. eta vs tors. theta energy: -157.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1706.360374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.360374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.360374 (E_RNA)
where:
Base-Base interactions energy: -1156.509
where: short stacking energy: -496.177
Base-Backbone interact. energy: -3.779
local terms energy: -546.072758
where:
bonds (distance) C4'-P energy: -108.823
bonds (distance) P-C4' energy: -118.053
flat angles C4'-P-C4' energy: -128.783
flat angles P-C4'-P energy: -75.022
tors. eta vs tors. theta energy: -115.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1536.738442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.738442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.738442 (E_RNA)
where:
Base-Base interactions energy: -1026.424
where: short stacking energy: -442.686
Base-Backbone interact. energy: -2.059
local terms energy: -508.255690
where:
bonds (distance) C4'-P energy: -95.038
bonds (distance) P-C4' energy: -105.001
flat angles C4'-P-C4' energy: -110.162
flat angles P-C4'-P energy: -78.493
tors. eta vs tors. theta energy: -119.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1545.697632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.697632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.697632 (E_RNA)
where:
Base-Base interactions energy: -1031.883
where: short stacking energy: -441.699
Base-Backbone interact. energy: 2.471
local terms energy: -516.285851
where:
bonds (distance) C4'-P energy: -108.892
bonds (distance) P-C4' energy: -109.005
flat angles C4'-P-C4' energy: -124.099
flat angles P-C4'-P energy: -62.011
tors. eta vs tors. theta energy: -112.279
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: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1222.118296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.118296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.118296 (E_RNA)
where:
Base-Base interactions energy: -772.486
where: short stacking energy: -367.850
Base-Backbone interact. energy: -3.768
local terms energy: -445.864523
where:
bonds (distance) C4'-P energy: -87.455
bonds (distance) P-C4' energy: -103.263
flat angles C4'-P-C4' energy: -113.126
flat angles P-C4'-P energy: -68.685
tors. eta vs tors. theta energy: -73.334
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: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1071.090464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.090464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.090464 (E_RNA)
where:
Base-Base interactions energy: -650.298
where: short stacking energy: -308.292
Base-Backbone interact. energy: 3.155
local terms energy: -423.947545
where:
bonds (distance) C4'-P energy: -90.925
bonds (distance) P-C4' energy: -124.545
flat angles C4'-P-C4' energy: -92.881
flat angles P-C4'-P energy: -56.608
tors. eta vs tors. theta energy: -58.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -709.066337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.066337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.066337 (E_RNA)
where:
Base-Base interactions energy: -349.233
where: short stacking energy: -229.972
Base-Backbone interact. energy: 1.530
local terms energy: -361.363532
where:
bonds (distance) C4'-P energy: -100.168
bonds (distance) P-C4' energy: -95.281
flat angles C4'-P-C4' energy: -82.464
flat angles P-C4'-P energy: -55.655
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -647.975194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.975194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.975194 (E_RNA)
where:
Base-Base interactions energy: -298.835
where: short stacking energy: -151.349
Base-Backbone interact. energy: 1.518
local terms energy: -350.657295
where:
bonds (distance) C4'-P energy: -106.827
bonds (distance) P-C4' energy: -105.847
flat angles C4'-P-C4' energy: -101.622
flat angles P-C4'-P energy: -44.987
tors. eta vs tors. theta energy: 8.627
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: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -537.817704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.817704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.817704 (E_RNA)
where:
Base-Base interactions energy: -236.948
where: short stacking energy: -158.094
Base-Backbone interact. energy: -0.195
local terms energy: -300.674523
where:
bonds (distance) C4'-P energy: -101.578
bonds (distance) P-C4' energy: -87.397
flat angles C4'-P-C4' energy: -51.733
flat angles P-C4'-P energy: -64.491
tors. eta vs tors. theta energy: 4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1847.603678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.603678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.603678 (E_RNA)
where:
Base-Base interactions energy: -1245.464
where: short stacking energy: -539.712
Base-Backbone interact. energy: -3.364
local terms energy: -598.775730
where:
bonds (distance) C4'-P energy: -111.745
bonds (distance) P-C4' energy: -132.490
flat angles C4'-P-C4' energy: -129.582
flat angles P-C4'-P energy: -83.077
tors. eta vs tors. theta energy: -141.881
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: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1792.167685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.167685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.167685 (E_RNA)
where:
Base-Base interactions energy: -1211.813
where: short stacking energy: -535.146
Base-Backbone interact. energy: -1.455
local terms energy: -578.899732
where:
bonds (distance) C4'-P energy: -109.051
bonds (distance) P-C4' energy: -110.017
flat angles C4'-P-C4' energy: -127.624
flat angles P-C4'-P energy: -85.389
tors. eta vs tors. theta energy: -146.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1720.790116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.790116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.790116 (E_RNA)
where:
Base-Base interactions energy: -1182.626
where: short stacking energy: -505.521
Base-Backbone interact. energy: -3.956
local terms energy: -534.208547
where:
bonds (distance) C4'-P energy: -106.732
bonds (distance) P-C4' energy: -104.033
flat angles C4'-P-C4' energy: -118.666
flat angles P-C4'-P energy: -72.544
tors. eta vs tors. theta energy: -132.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1662.370174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.370174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.370174 (E_RNA)
where:
Base-Base interactions energy: -1098.557
where: short stacking energy: -471.348
Base-Backbone interact. energy: -2.019
local terms energy: -561.794632
where:
bonds (distance) C4'-P energy: -103.159
bonds (distance) P-C4' energy: -120.890
flat angles C4'-P-C4' energy: -121.779
flat angles P-C4'-P energy: -77.225
tors. eta vs tors. theta energy: -138.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1470.727874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.727874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.727874 (E_RNA)
where:
Base-Base interactions energy: -958.735
where: short stacking energy: -429.322
Base-Backbone interact. energy: 1.988
local terms energy: -513.980197
where:
bonds (distance) C4'-P energy: -108.061
bonds (distance) P-C4' energy: -85.969
flat angles C4'-P-C4' energy: -114.295
flat angles P-C4'-P energy: -83.182
tors. eta vs tors. theta energy: -122.474
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: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1272.080350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.080350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.080350 (E_RNA)
where:
Base-Base interactions energy: -808.415
where: short stacking energy: -369.804
Base-Backbone interact. energy: 1.463
local terms energy: -465.128871
where:
bonds (distance) C4'-P energy: -91.155
bonds (distance) P-C4' energy: -99.265
flat angles C4'-P-C4' energy: -110.362
flat angles P-C4'-P energy: -76.947
tors. eta vs tors. theta energy: -87.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1033.649482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.649482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.649482 (E_RNA)
where:
Base-Base interactions energy: -617.325
where: short stacking energy: -287.576
Base-Backbone interact. energy: -1.384
local terms energy: -414.940153
where:
bonds (distance) C4'-P energy: -96.351
bonds (distance) P-C4' energy: -113.407
flat angles C4'-P-C4' energy: -86.296
flat angles P-C4'-P energy: -65.324
tors. eta vs tors. theta energy: -53.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -706.347219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.347219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.347219 (E_RNA)
where:
Base-Base interactions energy: -354.198
where: short stacking energy: -210.157
Base-Backbone interact. energy: -2.186
local terms energy: -349.962848
where:
bonds (distance) C4'-P energy: -96.329
bonds (distance) P-C4' energy: -101.555
flat angles C4'-P-C4' energy: -97.797
flat angles P-C4'-P energy: -48.291
tors. eta vs tors. theta energy: -5.990
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: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -602.627387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.627387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.627387 (E_RNA)
where:
Base-Base interactions energy: -254.485
where: short stacking energy: -177.589
Base-Backbone interact. energy: 0.270
local terms energy: -348.411996
where:
bonds (distance) C4'-P energy: -89.511
bonds (distance) P-C4' energy: -105.287
flat angles C4'-P-C4' energy: -84.883
flat angles P-C4'-P energy: -64.022
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -511.524981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.524981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.524981 (E_RNA)
where:
Base-Base interactions energy: -214.486
where: short stacking energy: -148.501
Base-Backbone interact. energy: 3.387
local terms energy: -300.425963
where:
bonds (distance) C4'-P energy: -86.485
bonds (distance) P-C4' energy: -101.071
flat angles C4'-P-C4' energy: -75.052
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: 8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1867.418465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.418465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.418465 (E_RNA)
where:
Base-Base interactions energy: -1279.814
where: short stacking energy: -550.068
Base-Backbone interact. energy: 0.984
local terms energy: -588.588386
where:
bonds (distance) C4'-P energy: -125.914
bonds (distance) P-C4' energy: -107.990
flat angles C4'-P-C4' energy: -125.867
flat angles P-C4'-P energy: -82.978
tors. eta vs tors. theta energy: -145.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1825.988069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.988069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.988069 (E_RNA)
where:
Base-Base interactions energy: -1209.310
where: short stacking energy: -535.538
Base-Backbone interact. energy: -1.752
local terms energy: -614.925632
where:
bonds (distance) C4'-P energy: -124.481
bonds (distance) P-C4' energy: -112.393
flat angles C4'-P-C4' energy: -133.397
flat angles P-C4'-P energy: -90.589
tors. eta vs tors. theta energy: -154.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1731.589744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.589744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.589744 (E_RNA)
where:
Base-Base interactions energy: -1179.513
where: short stacking energy: -512.178
Base-Backbone interact. energy: 0.026
local terms energy: -552.103221
where:
bonds (distance) C4'-P energy: -113.980
bonds (distance) P-C4' energy: -115.101
flat angles C4'-P-C4' energy: -119.319
flat angles P-C4'-P energy: -66.500
tors. eta vs tors. theta energy: -137.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1684.468611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.468611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.468611 (E_RNA)
where:
Base-Base interactions energy: -1125.011
where: short stacking energy: -483.052
Base-Backbone interact. energy: -3.208
local terms energy: -556.249450
where:
bonds (distance) C4'-P energy: -111.544
bonds (distance) P-C4' energy: -105.539
flat angles C4'-P-C4' energy: -132.995
flat angles P-C4'-P energy: -81.642
tors. eta vs tors. theta energy: -124.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1422.780752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.780752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.780752 (E_RNA)
where:
Base-Base interactions energy: -949.522
where: short stacking energy: -398.127
Base-Backbone interact. energy: 1.103
local terms energy: -474.362480
where:
bonds (distance) C4'-P energy: -92.393
bonds (distance) P-C4' energy: -110.692
flat angles C4'-P-C4' energy: -111.012
flat angles P-C4'-P energy: -63.438
tors. eta vs tors. theta energy: -96.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1293.614846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.614846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.614846 (E_RNA)
where:
Base-Base interactions energy: -818.967
where: short stacking energy: -375.626
Base-Backbone interact. energy: -1.923
local terms energy: -472.725367
where:
bonds (distance) C4'-P energy: -103.640
bonds (distance) P-C4' energy: -121.361
flat angles C4'-P-C4' energy: -100.807
flat angles P-C4'-P energy: -69.438
tors. eta vs tors. theta energy: -77.480
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: 50
Temperature: 1.200000
Total energy: -989.829480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.829480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.829480 (E_RNA)
where:
Base-Base interactions energy: -599.199
where: short stacking energy: -281.877
Base-Backbone interact. energy: 1.300
local terms energy: -391.930559
where:
bonds (distance) C4'-P energy: -101.140
bonds (distance) P-C4' energy: -119.968
flat angles C4'-P-C4' energy: -71.177
flat angles P-C4'-P energy: -60.120
tors. eta vs tors. theta energy: -39.526
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: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -678.436729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.436729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.436729 (E_RNA)
where:
Base-Base interactions energy: -297.213
where: short stacking energy: -170.031
Base-Backbone interact. energy: 0.388
local terms energy: -381.611534
where:
bonds (distance) C4'-P energy: -100.957
bonds (distance) P-C4' energy: -123.295
flat angles C4'-P-C4' energy: -95.979
flat angles P-C4'-P energy: -47.676
tors. eta vs tors. theta energy: -13.704
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: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -660.610370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.610370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.610370 (E_RNA)
where:
Base-Base interactions energy: -321.462
where: short stacking energy: -174.261
Base-Backbone interact. energy: -1.180
local terms energy: -337.968117
where:
bonds (distance) C4'-P energy: -88.587
bonds (distance) P-C4' energy: -103.760
flat angles C4'-P-C4' energy: -85.869
flat angles P-C4'-P energy: -64.893
tors. eta vs tors. theta energy: 5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -496.193805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.193805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.193805 (E_RNA)
where:
Base-Base interactions energy: -181.204
where: short stacking energy: -143.367
Base-Backbone interact. energy: 5.961
local terms energy: -320.950854
where:
bonds (distance) C4'-P energy: -91.966
bonds (distance) P-C4' energy: -85.995
flat angles C4'-P-C4' energy: -88.658
flat angles P-C4'-P energy: -65.602
tors. eta vs tors. theta energy: 11.270
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: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1887.463498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.463498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.463498 (E_RNA)
where:
Base-Base interactions energy: -1286.840
where: short stacking energy: -555.369
Base-Backbone interact. energy: -2.786
local terms energy: -597.837187
where:
bonds (distance) C4'-P energy: -105.357
bonds (distance) P-C4' energy: -120.753
flat angles C4'-P-C4' energy: -126.888
flat angles P-C4'-P energy: -95.246
tors. eta vs tors. theta energy: -149.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1801.501864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.501864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.501864 (E_RNA)
where:
Base-Base interactions energy: -1189.964
where: short stacking energy: -515.790
Base-Backbone interact. energy: -4.756
local terms energy: -606.781856
where:
bonds (distance) C4'-P energy: -117.767
bonds (distance) P-C4' energy: -114.552
flat angles C4'-P-C4' energy: -131.631
flat angles P-C4'-P energy: -85.771
tors. eta vs tors. theta energy: -157.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1721.689978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.689978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.689978 (E_RNA)
where:
Base-Base interactions energy: -1178.765
where: short stacking energy: -490.675
Base-Backbone interact. energy: -2.655
local terms energy: -540.270125
where:
bonds (distance) C4'-P energy: -110.188
bonds (distance) P-C4' energy: -106.640
flat angles C4'-P-C4' energy: -116.361
flat angles P-C4'-P energy: -82.385
tors. eta vs tors. theta energy: -124.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1720.036407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.036407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.036407 (E_RNA)
where:
Base-Base interactions energy: -1167.072
where: short stacking energy: -480.714
Base-Backbone interact. energy: -3.159
local terms energy: -549.805138
where:
bonds (distance) C4'-P energy: -116.010
bonds (distance) P-C4' energy: -114.572
flat angles C4'-P-C4' energy: -126.367
flat angles P-C4'-P energy: -66.848
tors. eta vs tors. theta energy: -126.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1407.973253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.973253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.973253 (E_RNA)
where:
Base-Base interactions energy: -906.237
where: short stacking energy: -400.622
Base-Backbone interact. energy: -0.628
local terms energy: -501.108495
where:
bonds (distance) C4'-P energy: -96.339
bonds (distance) P-C4' energy: -117.116
flat angles C4'-P-C4' energy: -108.781
flat angles P-C4'-P energy: -69.524
tors. eta vs tors. theta energy: -109.348
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: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1322.754656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.754656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.754656 (E_RNA)
where:
Base-Base interactions energy: -847.999
where: short stacking energy: -394.439
Base-Backbone interact. energy: -2.550
local terms energy: -472.205614
where:
bonds (distance) C4'-P energy: -95.640
bonds (distance) P-C4' energy: -98.293
flat angles C4'-P-C4' energy: -125.082
flat angles P-C4'-P energy: -58.636
tors. eta vs tors. theta energy: -94.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -992.013638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.013638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.013638 (E_RNA)
where:
Base-Base interactions energy: -621.706
where: short stacking energy: -298.484
Base-Backbone interact. energy: -2.301
local terms energy: -368.006531
where:
bonds (distance) C4'-P energy: -70.012
bonds (distance) P-C4' energy: -109.620
flat angles C4'-P-C4' energy: -97.244
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -48.114
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: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -661.459847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.459847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.459847 (E_RNA)
where:
Base-Base interactions energy: -301.336
where: short stacking energy: -185.752
Base-Backbone interact. energy: 9.874
local terms energy: -369.998008
where:
bonds (distance) C4'-P energy: -89.406
bonds (distance) P-C4' energy: -114.071
flat angles C4'-P-C4' energy: -86.797
flat angles P-C4'-P energy: -54.492
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -645.707891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.707891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.707891 (E_RNA)
where:
Base-Base interactions energy: -308.869
where: short stacking energy: -193.977
Base-Backbone interact. energy: 4.945
local terms energy: -341.784779
where:
bonds (distance) C4'-P energy: -101.917
bonds (distance) P-C4' energy: -104.749
flat angles C4'-P-C4' energy: -86.140
flat angles P-C4'-P energy: -43.304
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -470.590306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.590306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.590306 (E_RNA)
where:
Base-Base interactions energy: -182.716
where: short stacking energy: -139.014
Base-Backbone interact. energy: 2.323
local terms energy: -290.197793
where:
bonds (distance) C4'-P energy: -84.176
bonds (distance) P-C4' energy: -112.752
flat angles C4'-P-C4' energy: -86.586
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: 23.028
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: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1878.360490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.360490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.360490 (E_RNA)
where:
Base-Base interactions energy: -1287.334
where: short stacking energy: -532.385
Base-Backbone interact. energy: 1.094
local terms energy: -592.121083
where:
bonds (distance) C4'-P energy: -114.340
bonds (distance) P-C4' energy: -123.174
flat angles C4'-P-C4' energy: -129.977
flat angles P-C4'-P energy: -84.869
tors. eta vs tors. theta energy: -139.762
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: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1799.641639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.641639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.641639 (E_RNA)
where:
Base-Base interactions energy: -1200.911
where: short stacking energy: -514.022
Base-Backbone interact. energy: -2.528
local terms energy: -596.202424
where:
bonds (distance) C4'-P energy: -119.199
bonds (distance) P-C4' energy: -118.756
flat angles C4'-P-C4' energy: -125.542
flat angles P-C4'-P energy: -76.736
tors. eta vs tors. theta energy: -155.970
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: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1744.123707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.123707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.123707 (E_RNA)
where:
Base-Base interactions energy: -1181.003
where: short stacking energy: -482.969
Base-Backbone interact. energy: -2.313
local terms energy: -560.807651
where:
bonds (distance) C4'-P energy: -109.953
bonds (distance) P-C4' energy: -105.135
flat angles C4'-P-C4' energy: -126.048
flat angles P-C4'-P energy: -88.012
tors. eta vs tors. theta energy: -131.659
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: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1672.987786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.987786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.987786 (E_RNA)
where:
Base-Base interactions energy: -1148.321
where: short stacking energy: -487.687
Base-Backbone interact. energy: -1.992
local terms energy: -522.675266
where:
bonds (distance) C4'-P energy: -97.530
bonds (distance) P-C4' energy: -111.060
flat angles C4'-P-C4' energy: -116.315
flat angles P-C4'-P energy: -76.432
tors. eta vs tors. theta energy: -121.338
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: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1496.047767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.047767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.047767 (E_RNA)
where:
Base-Base interactions energy: -980.570
where: short stacking energy: -438.349
Base-Backbone interact. energy: -4.009
local terms energy: -511.468510
where:
bonds (distance) C4'-P energy: -98.962
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -123.598
flat angles P-C4'-P energy: -69.018
tors. eta vs tors. theta energy: -107.178
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: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1276.835607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.835607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.835607 (E_RNA)
where:
Base-Base interactions energy: -787.838
where: short stacking energy: -383.474
Base-Backbone interact. energy: 0.122
local terms energy: -489.118975
where:
bonds (distance) C4'-P energy: -96.625
bonds (distance) P-C4' energy: -128.550
flat angles C4'-P-C4' energy: -99.453
flat angles P-C4'-P energy: -69.745
tors. eta vs tors. theta energy: -94.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1034.153836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.153836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.153836 (E_RNA)
where:
Base-Base interactions energy: -647.467
where: short stacking energy: -304.378
Base-Backbone interact. energy: 3.801
local terms energy: -390.488226
where:
bonds (distance) C4'-P energy: -86.309
bonds (distance) P-C4' energy: -99.475
flat angles C4'-P-C4' energy: -92.351
flat angles P-C4'-P energy: -65.187
tors. eta vs tors. theta energy: -47.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -740.363038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.363038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.363038 (E_RNA)
where:
Base-Base interactions energy: -347.849
where: short stacking energy: -211.451
Base-Backbone interact. energy: -0.539
local terms energy: -391.975206
where:
bonds (distance) C4'-P energy: -97.824
bonds (distance) P-C4' energy: -118.121
flat angles C4'-P-C4' energy: -100.444
flat angles P-C4'-P energy: -49.011
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -647.263797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.263797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.263797 (E_RNA)
where:
Base-Base interactions energy: -311.890
where: short stacking energy: -186.620
Base-Backbone interact. energy: 3.811
local terms energy: -339.185121
where:
bonds (distance) C4'-P energy: -109.894
bonds (distance) P-C4' energy: -92.490
flat angles C4'-P-C4' energy: -85.024
flat angles P-C4'-P energy: -44.751
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -476.074716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.074716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.074716 (E_RNA)
where:
Base-Base interactions energy: -176.996
where: short stacking energy: -149.410
Base-Backbone interact. energy: 11.819
local terms energy: -310.897594
where:
bonds (distance) C4'-P energy: -102.637
bonds (distance) P-C4' energy: -102.233
flat angles C4'-P-C4' energy: -73.899
flat angles P-C4'-P energy: -42.216
tors. eta vs tors. theta energy: 10.087
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: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1879.506164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.506164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.506164 (E_RNA)
where:
Base-Base interactions energy: -1272.335
where: short stacking energy: -528.177
Base-Backbone interact. energy: -3.657
local terms energy: -603.514268
where:
bonds (distance) C4'-P energy: -120.211
bonds (distance) P-C4' energy: -124.021
flat angles C4'-P-C4' energy: -121.230
flat angles P-C4'-P energy: -91.456
tors. eta vs tors. theta energy: -146.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1774.155833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.155833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.155833 (E_RNA)
where:
Base-Base interactions energy: -1203.257
where: short stacking energy: -529.027
Base-Backbone interact. energy: 0.823
local terms energy: -571.722420
where:
bonds (distance) C4'-P energy: -108.003
bonds (distance) P-C4' energy: -110.622
flat angles C4'-P-C4' energy: -127.808
flat angles P-C4'-P energy: -79.907
tors. eta vs tors. theta energy: -145.382
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: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1784.466267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.466267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.466267 (E_RNA)
where:
Base-Base interactions energy: -1205.318
where: short stacking energy: -499.748
Base-Backbone interact. energy: -0.373
local terms energy: -578.775319
where:
bonds (distance) C4'-P energy: -108.868
bonds (distance) P-C4' energy: -113.951
flat angles C4'-P-C4' energy: -125.326
flat angles P-C4'-P energy: -81.608
tors. eta vs tors. theta energy: -149.023
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: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1672.995847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.995847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.995847 (E_RNA)
where:
Base-Base interactions energy: -1145.750
where: short stacking energy: -470.820
Base-Backbone interact. energy: 2.832
local terms energy: -530.077568
where:
bonds (distance) C4'-P energy: -106.872
bonds (distance) P-C4' energy: -89.937
flat angles C4'-P-C4' energy: -115.446
flat angles P-C4'-P energy: -90.405
tors. eta vs tors. theta energy: -127.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1389.629308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.629308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.629308 (E_RNA)
where:
Base-Base interactions energy: -867.366
where: short stacking energy: -389.140
Base-Backbone interact. energy: -1.651
local terms energy: -520.612554
where:
bonds (distance) C4'-P energy: -117.032
bonds (distance) P-C4' energy: -118.186
flat angles C4'-P-C4' energy: -106.995
flat angles P-C4'-P energy: -84.031
tors. eta vs tors. theta energy: -94.369
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1293.811474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.811474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.811474 (E_RNA)
where:
Base-Base interactions energy: -826.572
where: short stacking energy: -374.940
Base-Backbone interact. energy: 1.308
local terms energy: -468.547343
where:
bonds (distance) C4'-P energy: -111.282
bonds (distance) P-C4' energy: -85.458
flat angles C4'-P-C4' energy: -117.244
flat angles P-C4'-P energy: -69.670
tors. eta vs tors. theta energy: -84.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -934.464081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.464081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.464081 (E_RNA)
where:
Base-Base interactions energy: -541.197
where: short stacking energy: -258.614
Base-Backbone interact. energy: -3.165
local terms energy: -390.101573
where:
bonds (distance) C4'-P energy: -101.623
bonds (distance) P-C4' energy: -91.378
flat angles C4'-P-C4' energy: -99.317
flat angles P-C4'-P energy: -57.654
tors. eta vs tors. theta energy: -40.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -714.254981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.254981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.254981 (E_RNA)
where:
Base-Base interactions energy: -352.017
where: short stacking energy: -205.374
Base-Backbone interact. energy: -1.956
local terms energy: -360.281194
where:
bonds (distance) C4'-P energy: -92.476
bonds (distance) P-C4' energy: -97.421
flat angles C4'-P-C4' energy: -92.887
flat angles P-C4'-P energy: -60.986
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -660.002455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.002455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.002455 (E_RNA)
where:
Base-Base interactions energy: -313.396
where: short stacking energy: -171.226
Base-Backbone interact. energy: -0.056
local terms energy: -346.550552
where:
bonds (distance) C4'-P energy: -69.236
bonds (distance) P-C4' energy: -106.810
flat angles C4'-P-C4' energy: -109.520
flat angles P-C4'-P energy: -43.262
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -490.341376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.341376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.341376 (E_RNA)
where:
Base-Base interactions energy: -178.587
where: short stacking energy: -148.604
Base-Backbone interact. energy: -0.835
local terms energy: -310.919993
where:
bonds (distance) C4'-P energy: -98.335
bonds (distance) P-C4' energy: -104.757
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -53.402
tors. eta vs tors. theta energy: 20.074
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: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1885.388082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.388082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.388082 (E_RNA)
where:
Base-Base interactions energy: -1276.683
where: short stacking energy: -520.420
Base-Backbone interact. energy: -0.483
local terms energy: -608.221312
where:
bonds (distance) C4'-P energy: -116.590
bonds (distance) P-C4' energy: -120.681
flat angles C4'-P-C4' energy: -134.319
flat angles P-C4'-P energy: -87.337
tors. eta vs tors. theta energy: -149.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1765.317789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.317789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.317789 (E_RNA)
where:
Base-Base interactions energy: -1195.985
where: short stacking energy: -526.289
Base-Backbone interact. energy: -3.684
local terms energy: -565.648419
where:
bonds (distance) C4'-P energy: -101.824
bonds (distance) P-C4' energy: -119.189
flat angles C4'-P-C4' energy: -116.722
flat angles P-C4'-P energy: -82.214
tors. eta vs tors. theta energy: -145.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1809.871724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.871724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.871724 (E_RNA)
where:
Base-Base interactions energy: -1243.504
where: short stacking energy: -515.723
Base-Backbone interact. energy: 2.934
local terms energy: -569.301220
where:
bonds (distance) C4'-P energy: -118.903
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -120.617
flat angles P-C4'-P energy: -78.208
tors. eta vs tors. theta energy: -141.456
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: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1642.249009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.249009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.249009 (E_RNA)
where:
Base-Base interactions energy: -1101.610
where: short stacking energy: -461.708
Base-Backbone interact. energy: 2.866
local terms energy: -543.505913
where:
bonds (distance) C4'-P energy: -107.648
bonds (distance) P-C4' energy: -109.060
flat angles C4'-P-C4' energy: -114.128
flat angles P-C4'-P energy: -86.844
tors. eta vs tors. theta energy: -125.825
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: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1406.878869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.878869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.878869 (E_RNA)
where:
Base-Base interactions energy: -923.239
where: short stacking energy: -409.158
Base-Backbone interact. energy: 0.414
local terms energy: -484.053906
where:
bonds (distance) C4'-P energy: -98.973
bonds (distance) P-C4' energy: -110.154
flat angles C4'-P-C4' energy: -113.355
flat angles P-C4'-P energy: -61.092
tors. eta vs tors. theta energy: -100.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1278.482340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.482340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.482340 (E_RNA)
where:
Base-Base interactions energy: -808.029
where: short stacking energy: -360.678
Base-Backbone interact. energy: -1.088
local terms energy: -469.365410
where:
bonds (distance) C4'-P energy: -100.657
bonds (distance) P-C4' energy: -99.853
flat angles C4'-P-C4' energy: -113.317
flat angles P-C4'-P energy: -67.677
tors. eta vs tors. theta energy: -87.862
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: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -991.261841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.261841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.261841 (E_RNA)
where:
Base-Base interactions energy: -589.380
where: short stacking energy: -280.466
Base-Backbone interact. energy: 5.092
local terms energy: -406.973754
where:
bonds (distance) C4'-P energy: -95.663
bonds (distance) P-C4' energy: -109.577
flat angles C4'-P-C4' energy: -92.448
flat angles P-C4'-P energy: -60.187
tors. eta vs tors. theta energy: -49.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -691.387682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.387682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.387682 (E_RNA)
where:
Base-Base interactions energy: -336.110
where: short stacking energy: -198.979
Base-Backbone interact. energy: -2.722
local terms energy: -352.555606
where:
bonds (distance) C4'-P energy: -91.498
bonds (distance) P-C4' energy: -99.162
flat angles C4'-P-C4' energy: -93.833
flat angles P-C4'-P energy: -56.768
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -687.392013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.392013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.392013 (E_RNA)
where:
Base-Base interactions energy: -351.561
where: short stacking energy: -190.057
Base-Backbone interact. energy: -1.493
local terms energy: -334.337657
where:
bonds (distance) C4'-P energy: -90.388
bonds (distance) P-C4' energy: -106.158
flat angles C4'-P-C4' energy: -90.719
flat angles P-C4'-P energy: -49.919
tors. eta vs tors. theta energy: 2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -522.973390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.973390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.973390 (E_RNA)
where:
Base-Base interactions energy: -192.960
where: short stacking energy: -130.509
Base-Backbone interact. energy: -1.112
local terms energy: -328.901931
where:
bonds (distance) C4'-P energy: -96.705
bonds (distance) P-C4' energy: -104.277
flat angles C4'-P-C4' energy: -84.343
flat angles P-C4'-P energy: -46.437
tors. eta vs tors. theta energy: 2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1852.295844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.295844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.295844 (E_RNA)
where:
Base-Base interactions energy: -1260.063
where: short stacking energy: -548.965
Base-Backbone interact. energy: 2.449
local terms energy: -594.681289
where:
bonds (distance) C4'-P energy: -110.325
bonds (distance) P-C4' energy: -116.291
flat angles C4'-P-C4' energy: -135.821
flat angles P-C4'-P energy: -86.220
tors. eta vs tors. theta energy: -146.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1787.772341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.772341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.772341 (E_RNA)
where:
Base-Base interactions energy: -1196.727
where: short stacking energy: -509.816
Base-Backbone interact. energy: -1.012
local terms energy: -590.034099
where:
bonds (distance) C4'-P energy: -117.814
bonds (distance) P-C4' energy: -117.677
flat angles C4'-P-C4' energy: -136.241
flat angles P-C4'-P energy: -71.301
tors. eta vs tors. theta energy: -147.001
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: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1807.385641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.385641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.385641 (E_RNA)
where:
Base-Base interactions energy: -1228.519
where: short stacking energy: -512.637
Base-Backbone interact. energy: -4.442
local terms energy: -574.424682
where:
bonds (distance) C4'-P energy: -112.669
bonds (distance) P-C4' energy: -114.786
flat angles C4'-P-C4' energy: -126.576
flat angles P-C4'-P energy: -78.718
tors. eta vs tors. theta energy: -141.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1690.462141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.462141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.462141 (E_RNA)
where:
Base-Base interactions energy: -1163.642
where: short stacking energy: -465.428
Base-Backbone interact. energy: 1.325
local terms energy: -528.144527
where:
bonds (distance) C4'-P energy: -109.490
bonds (distance) P-C4' energy: -112.993
flat angles C4'-P-C4' energy: -112.957
flat angles P-C4'-P energy: -71.394
tors. eta vs tors. theta energy: -121.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1432.256378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.256378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.256378 (E_RNA)
where:
Base-Base interactions energy: -913.479
where: short stacking energy: -421.012
Base-Backbone interact. energy: -0.137
local terms energy: -518.640398
where:
bonds (distance) C4'-P energy: -105.390
bonds (distance) P-C4' energy: -121.268
flat angles C4'-P-C4' energy: -116.720
flat angles P-C4'-P energy: -66.591
tors. eta vs tors. theta energy: -108.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1294.461061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.461061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.461061 (E_RNA)
where:
Base-Base interactions energy: -830.363
where: short stacking energy: -369.658
Base-Backbone interact. energy: 0.935
local terms energy: -465.033070
where:
bonds (distance) C4'-P energy: -104.603
bonds (distance) P-C4' energy: -108.761
flat angles C4'-P-C4' energy: -105.208
flat angles P-C4'-P energy: -60.737
tors. eta vs tors. theta energy: -85.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1033.780614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.780614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.780614 (E_RNA)
where:
Base-Base interactions energy: -634.327
where: short stacking energy: -282.663
Base-Backbone interact. energy: -3.687
local terms energy: -395.766531
where:
bonds (distance) C4'-P energy: -104.182
bonds (distance) P-C4' energy: -106.506
flat angles C4'-P-C4' energy: -96.077
flat angles P-C4'-P energy: -51.269
tors. eta vs tors. theta energy: -37.733
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: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -708.621965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.621965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.621965 (E_RNA)
where:
Base-Base interactions energy: -338.689
where: short stacking energy: -188.675
Base-Backbone interact. energy: 2.370
local terms energy: -372.302940
where:
bonds (distance) C4'-P energy: -82.760
bonds (distance) P-C4' energy: -114.737
flat angles C4'-P-C4' energy: -93.008
flat angles P-C4'-P energy: -60.059
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -699.127851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.127851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.127851 (E_RNA)
where:
Base-Base interactions energy: -384.954
where: short stacking energy: -212.794
Base-Backbone interact. energy: 12.188
local terms energy: -326.362251
where:
bonds (distance) C4'-P energy: -96.846
bonds (distance) P-C4' energy: -81.707
flat angles C4'-P-C4' energy: -82.271
flat angles P-C4'-P energy: -56.094
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -515.149701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.149701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.149701 (E_RNA)
where:
Base-Base interactions energy: -221.956
where: short stacking energy: -138.074
Base-Backbone interact. energy: -0.499
local terms energy: -292.694725
where:
bonds (distance) C4'-P energy: -88.901
bonds (distance) P-C4' energy: -89.057
flat angles C4'-P-C4' energy: -76.640
flat angles P-C4'-P energy: -37.772
tors. eta vs tors. theta energy: -0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1829.486088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.486088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.486088 (E_RNA)
where:
Base-Base interactions energy: -1232.033
where: short stacking energy: -537.633
Base-Backbone interact. energy: -4.584
local terms energy: -592.868915
where:
bonds (distance) C4'-P energy: -99.000
bonds (distance) P-C4' energy: -117.750
flat angles C4'-P-C4' energy: -140.372
flat angles P-C4'-P energy: -80.444
tors. eta vs tors. theta energy: -155.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1838.477811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.477811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.477811 (E_RNA)
where:
Base-Base interactions energy: -1247.353
where: short stacking energy: -537.430
Base-Backbone interact. energy: -1.898
local terms energy: -589.226799
where:
bonds (distance) C4'-P energy: -109.328
bonds (distance) P-C4' energy: -113.517
flat angles C4'-P-C4' energy: -135.678
flat angles P-C4'-P energy: -80.608
tors. eta vs tors. theta energy: -150.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1790.857805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.857805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.857805 (E_RNA)
where:
Base-Base interactions energy: -1236.883
where: short stacking energy: -506.491
Base-Backbone interact. energy: -2.528
local terms energy: -551.446701
where:
bonds (distance) C4'-P energy: -112.232
bonds (distance) P-C4' energy: -121.481
flat angles C4'-P-C4' energy: -110.704
flat angles P-C4'-P energy: -69.860
tors. eta vs tors. theta energy: -137.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1671.384523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.384523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.384523 (E_RNA)
where:
Base-Base interactions energy: -1173.256
where: short stacking energy: -466.072
Base-Backbone interact. energy: -2.503
local terms energy: -495.625619
where:
bonds (distance) C4'-P energy: -101.363
bonds (distance) P-C4' energy: -107.986
flat angles C4'-P-C4' energy: -108.175
flat angles P-C4'-P energy: -61.447
tors. eta vs tors. theta energy: -116.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1445.427902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.427902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.427902 (E_RNA)
where:
Base-Base interactions energy: -940.642
where: short stacking energy: -426.128
Base-Backbone interact. energy: 8.800
local terms energy: -513.586561
where:
bonds (distance) C4'-P energy: -108.239
bonds (distance) P-C4' energy: -108.405
flat angles C4'-P-C4' energy: -107.004
flat angles P-C4'-P energy: -82.572
tors. eta vs tors. theta energy: -107.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1341.355505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.355505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.355505 (E_RNA)
where:
Base-Base interactions energy: -869.883
where: short stacking energy: -395.030
Base-Backbone interact. energy: 3.413
local terms energy: -474.885391
where:
bonds (distance) C4'-P energy: -107.170
bonds (distance) P-C4' energy: -96.381
flat angles C4'-P-C4' energy: -123.879
flat angles P-C4'-P energy: -69.258
tors. eta vs tors. theta energy: -78.198
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: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1070.062308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.062308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.062308 (E_RNA)
where:
Base-Base interactions energy: -640.189
where: short stacking energy: -293.985
Base-Backbone interact. energy: 0.328
local terms energy: -430.202181
where:
bonds (distance) C4'-P energy: -110.653
bonds (distance) P-C4' energy: -114.429
flat angles C4'-P-C4' energy: -102.507
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -56.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -774.928243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.928243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.928243 (E_RNA)
where:
Base-Base interactions energy: -387.286
where: short stacking energy: -206.607
Base-Backbone interact. energy: 0.836
local terms energy: -388.477808
where:
bonds (distance) C4'-P energy: -101.933
bonds (distance) P-C4' energy: -118.523
flat angles C4'-P-C4' energy: -97.229
flat angles P-C4'-P energy: -52.979
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -736.792114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.792114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.792114 (E_RNA)
where:
Base-Base interactions energy: -392.161
where: short stacking energy: -209.286
Base-Backbone interact. energy: -1.787
local terms energy: -342.844561
where:
bonds (distance) C4'-P energy: -96.458
bonds (distance) P-C4' energy: -96.765
flat angles C4'-P-C4' energy: -96.301
flat angles P-C4'-P energy: -43.488
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -523.330767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.330767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.330767 (E_RNA)
where:
Base-Base interactions energy: -197.025
where: short stacking energy: -134.435
Base-Backbone interact. energy: -0.381
local terms energy: -325.925322
where:
bonds (distance) C4'-P energy: -105.440
bonds (distance) P-C4' energy: -99.455
flat angles C4'-P-C4' energy: -77.789
flat angles P-C4'-P energy: -57.837
tors. eta vs tors. theta energy: 14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1879.165838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.165838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.165838 (E_RNA)
where:
Base-Base interactions energy: -1249.515
where: short stacking energy: -569.878
Base-Backbone interact. energy: -4.117
local terms energy: -625.534021
where:
bonds (distance) C4'-P energy: -112.025
bonds (distance) P-C4' energy: -129.835
flat angles C4'-P-C4' energy: -132.803
flat angles P-C4'-P energy: -83.993
tors. eta vs tors. theta energy: -166.878
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: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1862.006852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.006852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.006852 (E_RNA)
where:
Base-Base interactions energy: -1271.621
where: short stacking energy: -547.917
Base-Backbone interact. energy: -1.199
local terms energy: -589.186723
where:
bonds (distance) C4'-P energy: -101.585
bonds (distance) P-C4' energy: -134.492
flat angles C4'-P-C4' energy: -126.068
flat angles P-C4'-P energy: -73.916
tors. eta vs tors. theta energy: -153.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1790.076389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.076389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.076389 (E_RNA)
where:
Base-Base interactions energy: -1203.971
where: short stacking energy: -505.278
Base-Backbone interact. energy: -3.763
local terms energy: -582.342383
where:
bonds (distance) C4'-P energy: -104.192
bonds (distance) P-C4' energy: -125.708
flat angles C4'-P-C4' energy: -125.116
flat angles P-C4'-P energy: -79.108
tors. eta vs tors. theta energy: -148.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1617.147225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.147225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.147225 (E_RNA)
where:
Base-Base interactions energy: -1088.711
where: short stacking energy: -444.891
Base-Backbone interact. energy: -1.772
local terms energy: -526.664541
where:
bonds (distance) C4'-P energy: -101.584
bonds (distance) P-C4' energy: -112.352
flat angles C4'-P-C4' energy: -116.168
flat angles P-C4'-P energy: -88.840
tors. eta vs tors. theta energy: -107.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1437.798380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.798380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.798380 (E_RNA)
where:
Base-Base interactions energy: -926.205
where: short stacking energy: -426.529
Base-Backbone interact. energy: -3.543
local terms energy: -508.051025
where:
bonds (distance) C4'-P energy: -103.026
bonds (distance) P-C4' energy: -100.464
flat angles C4'-P-C4' energy: -109.009
flat angles P-C4'-P energy: -78.223
tors. eta vs tors. theta energy: -117.329
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: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1322.359268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.359268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.359268 (E_RNA)
where:
Base-Base interactions energy: -842.943
where: short stacking energy: -395.063
Base-Backbone interact. energy: -1.116
local terms energy: -478.300383
where:
bonds (distance) C4'-P energy: -105.565
bonds (distance) P-C4' energy: -91.665
flat angles C4'-P-C4' energy: -112.163
flat angles P-C4'-P energy: -76.225
tors. eta vs tors. theta energy: -92.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1003.237465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.237465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.237465 (E_RNA)
where:
Base-Base interactions energy: -606.517
where: short stacking energy: -281.756
Base-Backbone interact. energy: -3.536
local terms energy: -393.185074
where:
bonds (distance) C4'-P energy: -99.757
bonds (distance) P-C4' energy: -97.391
flat angles C4'-P-C4' energy: -97.130
flat angles P-C4'-P energy: -69.637
tors. eta vs tors. theta energy: -29.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -785.164487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.164487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.164487 (E_RNA)
where:
Base-Base interactions energy: -380.857
where: short stacking energy: -214.650
Base-Backbone interact. energy: -1.336
local terms energy: -402.971707
where:
bonds (distance) C4'-P energy: -97.566
bonds (distance) P-C4' energy: -118.636
flat angles C4'-P-C4' energy: -103.602
flat angles P-C4'-P energy: -50.952
tors. eta vs tors. theta energy: -32.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -702.795247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.795247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.795247 (E_RNA)
where:
Base-Base interactions energy: -374.149
where: short stacking energy: -199.062
Base-Backbone interact. energy: 0.266
local terms energy: -328.912504
where:
bonds (distance) C4'-P energy: -96.382
bonds (distance) P-C4' energy: -91.041
flat angles C4'-P-C4' energy: -92.318
flat angles P-C4'-P energy: -47.714
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -495.095594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.095594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.095594 (E_RNA)
where:
Base-Base interactions energy: -187.782
where: short stacking energy: -122.738
Base-Backbone interact. energy: 1.659
local terms energy: -308.972896
where:
bonds (distance) C4'-P energy: -85.263
bonds (distance) P-C4' energy: -99.890
flat angles C4'-P-C4' energy: -90.796
flat angles P-C4'-P energy: -59.123
tors. eta vs tors. theta energy: 26.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1829.945065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.945065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.945065 (E_RNA)
where:
Base-Base interactions energy: -1213.829
where: short stacking energy: -538.501
Base-Backbone interact. energy: -1.948
local terms energy: -614.168012
where:
bonds (distance) C4'-P energy: -120.149
bonds (distance) P-C4' energy: -115.826
flat angles C4'-P-C4' energy: -138.535
flat angles P-C4'-P energy: -86.678
tors. eta vs tors. theta energy: -152.979
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: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1844.244498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.244498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.244498 (E_RNA)
where:
Base-Base interactions energy: -1259.566
where: short stacking energy: -542.497
Base-Backbone interact. energy: -4.218
local terms energy: -580.460720
where:
bonds (distance) C4'-P energy: -102.751
bonds (distance) P-C4' energy: -117.191
flat angles C4'-P-C4' energy: -125.742
flat angles P-C4'-P energy: -79.316
tors. eta vs tors. theta energy: -155.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1845.615746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.615746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.615746 (E_RNA)
where:
Base-Base interactions energy: -1273.697
where: short stacking energy: -532.662
Base-Backbone interact. energy: -2.871
local terms energy: -569.047894
where:
bonds (distance) C4'-P energy: -93.598
bonds (distance) P-C4' energy: -111.796
flat angles C4'-P-C4' energy: -120.437
flat angles P-C4'-P energy: -90.789
tors. eta vs tors. theta energy: -152.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1712.406474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.406474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.406474 (E_RNA)
where:
Base-Base interactions energy: -1162.524
where: short stacking energy: -505.157
Base-Backbone interact. energy: -3.687
local terms energy: -546.195838
where:
bonds (distance) C4'-P energy: -105.500
bonds (distance) P-C4' energy: -115.390
flat angles C4'-P-C4' energy: -113.079
flat angles P-C4'-P energy: -72.613
tors. eta vs tors. theta energy: -139.614
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: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1474.433412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.433412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.433412 (E_RNA)
where:
Base-Base interactions energy: -948.061
where: short stacking energy: -455.304
Base-Backbone interact. energy: -2.642
local terms energy: -523.730526
where:
bonds (distance) C4'-P energy: -100.805
bonds (distance) P-C4' energy: -102.519
flat angles C4'-P-C4' energy: -116.976
flat angles P-C4'-P energy: -90.628
tors. eta vs tors. theta energy: -112.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1307.573664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.573664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.573664 (E_RNA)
where:
Base-Base interactions energy: -822.763
where: short stacking energy: -377.051
Base-Backbone interact. energy: -0.834
local terms energy: -483.976249
where:
bonds (distance) C4'-P energy: -99.292
bonds (distance) P-C4' energy: -96.279
flat angles C4'-P-C4' energy: -110.046
flat angles P-C4'-P energy: -75.702
tors. eta vs tors. theta energy: -102.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1010.397430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.397430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.397430 (E_RNA)
where:
Base-Base interactions energy: -594.108
where: short stacking energy: -292.986
Base-Backbone interact. energy: -0.517
local terms energy: -415.772062
where:
bonds (distance) C4'-P energy: -76.601
bonds (distance) P-C4' energy: -110.664
flat angles C4'-P-C4' energy: -99.634
flat angles P-C4'-P energy: -68.530
tors. eta vs tors. theta energy: -60.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -869.339987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.339987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.339987 (E_RNA)
where:
Base-Base interactions energy: -457.852
where: short stacking energy: -253.833
Base-Backbone interact. energy: 1.038
local terms energy: -412.525381
where:
bonds (distance) C4'-P energy: -104.061
bonds (distance) P-C4' energy: -110.345
flat angles C4'-P-C4' energy: -96.731
flat angles P-C4'-P energy: -64.127
tors. eta vs tors. theta energy: -37.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -607.674964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.674964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.674964 (E_RNA)
where:
Base-Base interactions energy: -276.144
where: short stacking energy: -158.734
Base-Backbone interact. energy: -6.899
local terms energy: -324.631371
where:
bonds (distance) C4'-P energy: -83.881
bonds (distance) P-C4' energy: -89.518
flat angles C4'-P-C4' energy: -81.005
flat angles P-C4'-P energy: -60.482
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -529.722967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.722967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.722967 (E_RNA)
where:
Base-Base interactions energy: -225.897
where: short stacking energy: -144.913
Base-Backbone interact. energy: 1.196
local terms energy: -305.022214
where:
bonds (distance) C4'-P energy: -77.932
bonds (distance) P-C4' energy: -98.404
flat angles C4'-P-C4' energy: -86.800
flat angles P-C4'-P energy: -54.900
tors. eta vs tors. theta energy: 13.014
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: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1864.834307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.834307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.834307 (E_RNA)
where:
Base-Base interactions energy: -1263.549
where: short stacking energy: -560.138
Base-Backbone interact. energy: 0.441
local terms energy: -601.726313
where:
bonds (distance) C4'-P energy: -117.634
bonds (distance) P-C4' energy: -115.212
flat angles C4'-P-C4' energy: -131.377
flat angles P-C4'-P energy: -86.756
tors. eta vs tors. theta energy: -150.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1839.058787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.058787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.058787 (E_RNA)
where:
Base-Base interactions energy: -1255.889
where: short stacking energy: -538.520
Base-Backbone interact. energy: -0.438
local terms energy: -582.732528
where:
bonds (distance) C4'-P energy: -108.589
bonds (distance) P-C4' energy: -118.823
flat angles C4'-P-C4' energy: -123.429
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -157.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1783.334238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.334238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.334238 (E_RNA)
where:
Base-Base interactions energy: -1228.188
where: short stacking energy: -509.892
Base-Backbone interact. energy: -1.505
local terms energy: -553.640557
where:
bonds (distance) C4'-P energy: -101.266
bonds (distance) P-C4' energy: -114.103
flat angles C4'-P-C4' energy: -119.876
flat angles P-C4'-P energy: -78.603
tors. eta vs tors. theta energy: -139.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1692.291357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.291357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.291357 (E_RNA)
where:
Base-Base interactions energy: -1156.194
where: short stacking energy: -480.788
Base-Backbone interact. energy: -2.618
local terms energy: -533.478852
where:
bonds (distance) C4'-P energy: -100.311
bonds (distance) P-C4' energy: -107.560
flat angles C4'-P-C4' energy: -118.947
flat angles P-C4'-P energy: -76.789
tors. eta vs tors. theta energy: -129.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1471.895538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.895538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.895538 (E_RNA)
where:
Base-Base interactions energy: -984.301
where: short stacking energy: -441.885
Base-Backbone interact. energy: 3.173
local terms energy: -490.767726
where:
bonds (distance) C4'-P energy: -104.015
bonds (distance) P-C4' energy: -113.438
flat angles C4'-P-C4' energy: -103.682
flat angles P-C4'-P energy: -64.519
tors. eta vs tors. theta energy: -105.114
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: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1229.473938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.473938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.473938 (E_RNA)
where:
Base-Base interactions energy: -771.618
where: short stacking energy: -371.508
Base-Backbone interact. energy: -0.942
local terms energy: -456.914096
where:
bonds (distance) C4'-P energy: -114.709
bonds (distance) P-C4' energy: -92.149
flat angles C4'-P-C4' energy: -109.382
flat angles P-C4'-P energy: -65.307
tors. eta vs tors. theta energy: -75.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1054.786764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.786764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.786764 (E_RNA)
where:
Base-Base interactions energy: -622.241
where: short stacking energy: -303.677
Base-Backbone interact. energy: -2.128
local terms energy: -430.417942
where:
bonds (distance) C4'-P energy: -104.511
bonds (distance) P-C4' energy: -109.691
flat angles C4'-P-C4' energy: -111.941
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -53.115
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: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -871.474531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.474531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.474531 (E_RNA)
where:
Base-Base interactions energy: -501.270
where: short stacking energy: -254.687
Base-Backbone interact. energy: 2.110
local terms energy: -372.314727
where:
bonds (distance) C4'-P energy: -87.342
bonds (distance) P-C4' energy: -99.155
flat angles C4'-P-C4' energy: -89.686
flat angles P-C4'-P energy: -56.000
tors. eta vs tors. theta energy: -40.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -609.635088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.635088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.635088 (E_RNA)
where:
Base-Base interactions energy: -279.387
where: short stacking energy: -173.973
Base-Backbone interact. energy: 2.471
local terms energy: -332.718664
where:
bonds (distance) C4'-P energy: -94.148
bonds (distance) P-C4' energy: -101.670
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -52.847
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -454.370354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.370354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.370354 (E_RNA)
where:
Base-Base interactions energy: -151.458
where: short stacking energy: -94.041
Base-Backbone interact. energy: 0.625
local terms energy: -303.537253
where:
bonds (distance) C4'-P energy: -99.179
bonds (distance) P-C4' energy: -96.745
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -61.759
tors. eta vs tors. theta energy: 16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1879.236940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.236940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.236940 (E_RNA)
where:
Base-Base interactions energy: -1256.433
where: short stacking energy: -574.146
Base-Backbone interact. energy: -2.947
local terms energy: -619.857200
where:
bonds (distance) C4'-P energy: -116.008
bonds (distance) P-C4' energy: -119.059
flat angles C4'-P-C4' energy: -134.147
flat angles P-C4'-P energy: -90.461
tors. eta vs tors. theta energy: -160.182
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: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1809.359467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.359467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.359467 (E_RNA)
where:
Base-Base interactions energy: -1234.263
where: short stacking energy: -511.262
Base-Backbone interact. energy: -1.984
local terms energy: -573.111890
where:
bonds (distance) C4'-P energy: -102.695
bonds (distance) P-C4' energy: -122.596
flat angles C4'-P-C4' energy: -126.982
flat angles P-C4'-P energy: -86.734
tors. eta vs tors. theta energy: -134.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1794.408061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.408061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.408061 (E_RNA)
where:
Base-Base interactions energy: -1189.828
where: short stacking energy: -488.153
Base-Backbone interact. energy: -4.834
local terms energy: -599.745876
where:
bonds (distance) C4'-P energy: -115.863
bonds (distance) P-C4' energy: -120.928
flat angles C4'-P-C4' energy: -129.446
flat angles P-C4'-P energy: -86.627
tors. eta vs tors. theta energy: -146.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1698.533633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.533633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.533633 (E_RNA)
where:
Base-Base interactions energy: -1148.256
where: short stacking energy: -490.347
Base-Backbone interact. energy: -2.611
local terms energy: -547.666174
where:
bonds (distance) C4'-P energy: -115.851
bonds (distance) P-C4' energy: -109.149
flat angles C4'-P-C4' energy: -125.310
flat angles P-C4'-P energy: -71.391
tors. eta vs tors. theta energy: -125.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1557.180551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.180551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.180551 (E_RNA)
where:
Base-Base interactions energy: -1024.669
where: short stacking energy: -449.922
Base-Backbone interact. energy: -2.759
local terms energy: -529.752469
where:
bonds (distance) C4'-P energy: -111.918
bonds (distance) P-C4' energy: -104.797
flat angles C4'-P-C4' energy: -119.926
flat angles P-C4'-P energy: -73.510
tors. eta vs tors. theta energy: -119.601
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: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1250.165651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.165651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.165651 (E_RNA)
where:
Base-Base interactions energy: -802.050
where: short stacking energy: -373.513
Base-Backbone interact. energy: -1.581
local terms energy: -446.535492
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -94.839
flat angles C4'-P-C4' energy: -106.577
flat angles P-C4'-P energy: -65.690
tors. eta vs tors. theta energy: -74.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1040.121278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.121278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.121278 (E_RNA)
where:
Base-Base interactions energy: -634.064
where: short stacking energy: -291.246
Base-Backbone interact. energy: 1.953
local terms energy: -408.010817
where:
bonds (distance) C4'-P energy: -103.792
bonds (distance) P-C4' energy: -116.040
flat angles C4'-P-C4' energy: -95.832
flat angles P-C4'-P energy: -47.728
tors. eta vs tors. theta energy: -44.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -817.309433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.309433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.309433 (E_RNA)
where:
Base-Base interactions energy: -437.622
where: short stacking energy: -213.671
Base-Backbone interact. energy: -1.546
local terms energy: -378.142027
where:
bonds (distance) C4'-P energy: -97.702
bonds (distance) P-C4' energy: -99.176
flat angles C4'-P-C4' energy: -99.414
flat angles P-C4'-P energy: -59.269
tors. eta vs tors. theta energy: -22.581
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: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -585.705479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.705479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.705479 (E_RNA)
where:
Base-Base interactions energy: -272.777
where: short stacking energy: -165.527
Base-Backbone interact. energy: -1.353
local terms energy: -311.575868
where:
bonds (distance) C4'-P energy: -96.930
bonds (distance) P-C4' energy: -81.482
flat angles C4'-P-C4' energy: -76.155
flat angles P-C4'-P energy: -50.578
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -457.584790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.584790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.584790 (E_RNA)
where:
Base-Base interactions energy: -150.054
where: short stacking energy: -134.631
Base-Backbone interact. energy: 4.043
local terms energy: -311.573652
where:
bonds (distance) C4'-P energy: -96.986
bonds (distance) P-C4' energy: -104.915
flat angles C4'-P-C4' energy: -71.126
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: 13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1856.924781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.924781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.924781 (E_RNA)
where:
Base-Base interactions energy: -1254.273
where: short stacking energy: -527.455
Base-Backbone interact. energy: -1.640
local terms energy: -601.012361
where:
bonds (distance) C4'-P energy: -115.633
bonds (distance) P-C4' energy: -115.366
flat angles C4'-P-C4' energy: -123.765
flat angles P-C4'-P energy: -88.715
tors. eta vs tors. theta energy: -157.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1855.629504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.629504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.629504 (E_RNA)
where:
Base-Base interactions energy: -1265.247
where: short stacking energy: -507.788
Base-Backbone interact. energy: -1.644
local terms energy: -588.738522
where:
bonds (distance) C4'-P energy: -109.483
bonds (distance) P-C4' energy: -116.938
flat angles C4'-P-C4' energy: -128.833
flat angles P-C4'-P energy: -96.623
tors. eta vs tors. theta energy: -136.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1806.642994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.642994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.642994 (E_RNA)
where:
Base-Base interactions energy: -1224.549
where: short stacking energy: -532.237
Base-Backbone interact. energy: -1.319
local terms energy: -580.775516
where:
bonds (distance) C4'-P energy: -105.368
bonds (distance) P-C4' energy: -121.694
flat angles C4'-P-C4' energy: -120.101
flat angles P-C4'-P energy: -77.023
tors. eta vs tors. theta energy: -156.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1692.357651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.357651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.357651 (E_RNA)
where:
Base-Base interactions energy: -1158.642
where: short stacking energy: -480.173
Base-Backbone interact. energy: -0.480
local terms energy: -533.236139
where:
bonds (distance) C4'-P energy: -103.348
bonds (distance) P-C4' energy: -110.216
flat angles C4'-P-C4' energy: -111.455
flat angles P-C4'-P energy: -74.696
tors. eta vs tors. theta energy: -133.521
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: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1601.362006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.362006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.362006 (E_RNA)
where:
Base-Base interactions energy: -1060.874
where: short stacking energy: -476.295
Base-Backbone interact. energy: -1.999
local terms energy: -538.489398
where:
bonds (distance) C4'-P energy: -106.520
bonds (distance) P-C4' energy: -107.763
flat angles C4'-P-C4' energy: -107.975
flat angles P-C4'-P energy: -77.256
tors. eta vs tors. theta energy: -138.976
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: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1243.566737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.566737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.566737 (E_RNA)
where:
Base-Base interactions energy: -774.340
where: short stacking energy: -360.656
Base-Backbone interact. energy: -2.172
local terms energy: -467.054263
where:
bonds (distance) C4'-P energy: -103.032
bonds (distance) P-C4' energy: -102.433
flat angles C4'-P-C4' energy: -116.310
flat angles P-C4'-P energy: -69.275
tors. eta vs tors. theta energy: -76.004
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: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1120.099067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.099067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.099067 (E_RNA)
where:
Base-Base interactions energy: -682.983
where: short stacking energy: -297.722
Base-Backbone interact. energy: -5.987
local terms energy: -431.128888
where:
bonds (distance) C4'-P energy: -98.946
bonds (distance) P-C4' energy: -110.241
flat angles C4'-P-C4' energy: -97.267
flat angles P-C4'-P energy: -65.851
tors. eta vs tors. theta energy: -58.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -788.614677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.614677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.614677 (E_RNA)
where:
Base-Base interactions energy: -422.436
where: short stacking energy: -210.429
Base-Backbone interact. energy: -2.501
local terms energy: -363.678157
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -105.755
flat angles C4'-P-C4' energy: -81.152
flat angles P-C4'-P energy: -62.118
tors. eta vs tors. theta energy: -12.854
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: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -656.960956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.960956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.960956 (E_RNA)
where:
Base-Base interactions energy: -302.824
where: short stacking energy: -188.309
Base-Backbone interact. energy: 4.054
local terms energy: -358.190845
where:
bonds (distance) C4'-P energy: -105.677
bonds (distance) P-C4' energy: -107.961
flat angles C4'-P-C4' energy: -87.655
flat angles P-C4'-P energy: -52.144
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -432.578426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.578426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.578426 (E_RNA)
where:
Base-Base interactions energy: -142.041
where: short stacking energy: -113.895
Base-Backbone interact. energy: 0.685
local terms energy: -291.221622
where:
bonds (distance) C4'-P energy: -90.863
bonds (distance) P-C4' energy: -95.287
flat angles C4'-P-C4' energy: -91.835
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: 24.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1867.681972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.681972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.681972 (E_RNA)
where:
Base-Base interactions energy: -1243.357
where: short stacking energy: -546.749
Base-Backbone interact. energy: -2.097
local terms energy: -622.227964
where:
bonds (distance) C4'-P energy: -119.795
bonds (distance) P-C4' energy: -128.280
flat angles C4'-P-C4' energy: -133.615
flat angles P-C4'-P energy: -84.146
tors. eta vs tors. theta energy: -156.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1867.906428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.906428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.906428 (E_RNA)
where:
Base-Base interactions energy: -1280.835
where: short stacking energy: -526.325
Base-Backbone interact. energy: 0.164
local terms energy: -587.235403
where:
bonds (distance) C4'-P energy: -103.919
bonds (distance) P-C4' energy: -128.563
flat angles C4'-P-C4' energy: -120.543
flat angles P-C4'-P energy: -92.381
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: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1843.957141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.957141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.957141 (E_RNA)
where:
Base-Base interactions energy: -1236.437
where: short stacking energy: -528.911
Base-Backbone interact. energy: -0.487
local terms energy: -607.032932
where:
bonds (distance) C4'-P energy: -119.333
bonds (distance) P-C4' energy: -116.750
flat angles C4'-P-C4' energy: -128.699
flat angles P-C4'-P energy: -77.575
tors. eta vs tors. theta energy: -164.676
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: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1640.793960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.793960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.793960 (E_RNA)
where:
Base-Base interactions energy: -1117.511
where: short stacking energy: -481.004
Base-Backbone interact. energy: -0.259
local terms energy: -523.024724
where:
bonds (distance) C4'-P energy: -108.791
bonds (distance) P-C4' energy: -100.437
flat angles C4'-P-C4' energy: -113.858
flat angles P-C4'-P energy: -73.505
tors. eta vs tors. theta energy: -126.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1623.296913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.296913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.296913 (E_RNA)
where:
Base-Base interactions energy: -1105.404
where: short stacking energy: -489.136
Base-Backbone interact. energy: 5.513
local terms energy: -523.405799
where:
bonds (distance) C4'-P energy: -95.664
bonds (distance) P-C4' energy: -105.996
flat angles C4'-P-C4' energy: -121.566
flat angles P-C4'-P energy: -66.955
tors. eta vs tors. theta energy: -133.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1330.952115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.952115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.952115 (E_RNA)
where:
Base-Base interactions energy: -849.890
where: short stacking energy: -375.191
Base-Backbone interact. energy: -2.017
local terms energy: -479.045656
where:
bonds (distance) C4'-P energy: -93.024
bonds (distance) P-C4' energy: -123.329
flat angles C4'-P-C4' energy: -110.437
flat angles P-C4'-P energy: -65.303
tors. eta vs tors. theta energy: -86.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1117.959876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.959876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.959876 (E_RNA)
where:
Base-Base interactions energy: -668.904
where: short stacking energy: -307.394
Base-Backbone interact. energy: 3.435
local terms energy: -452.490563
where:
bonds (distance) C4'-P energy: -107.466
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -108.784
flat angles P-C4'-P energy: -64.126
tors. eta vs tors. theta energy: -50.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -853.939995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.939995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.939995 (E_RNA)
where:
Base-Base interactions energy: -477.469
where: short stacking energy: -249.909
Base-Backbone interact. energy: 1.360
local terms energy: -377.830444
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -99.150
flat angles C4'-P-C4' energy: -101.822
flat angles P-C4'-P energy: -50.893
tors. eta vs tors. theta energy: -33.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -628.855898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.855898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.855898 (E_RNA)
where:
Base-Base interactions energy: -307.897
where: short stacking energy: -143.988
Base-Backbone interact. energy: -0.148
local terms energy: -320.810707
where:
bonds (distance) C4'-P energy: -88.706
bonds (distance) P-C4' energy: -104.420
flat angles C4'-P-C4' energy: -84.889
flat angles P-C4'-P energy: -47.432
tors. eta vs tors. theta energy: 4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -448.525151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.525151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.525151 (E_RNA)
where:
Base-Base interactions energy: -157.841
where: short stacking energy: -128.962
Base-Backbone interact. energy: 0.183
local terms energy: -290.866898
where:
bonds (distance) C4'-P energy: -103.712
bonds (distance) P-C4' energy: -84.622
flat angles C4'-P-C4' energy: -78.185
flat angles P-C4'-P energy: -55.376
tors. eta vs tors. theta energy: 31.028
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: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1841.808405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.808405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.808405 (E_RNA)
where:
Base-Base interactions energy: -1251.582
where: short stacking energy: -544.811
Base-Backbone interact. energy: -2.986
local terms energy: -587.239931
where:
bonds (distance) C4'-P energy: -111.845
bonds (distance) P-C4' energy: -112.174
flat angles C4'-P-C4' energy: -134.155
flat angles P-C4'-P energy: -78.954
tors. eta vs tors. theta energy: -150.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1878.611099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.611099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.611099 (E_RNA)
where:
Base-Base interactions energy: -1279.723
where: short stacking energy: -528.126
Base-Backbone interact. energy: 0.291
local terms energy: -599.179307
where:
bonds (distance) C4'-P energy: -119.115
bonds (distance) P-C4' energy: -133.134
flat angles C4'-P-C4' energy: -112.971
flat angles P-C4'-P energy: -82.246
tors. eta vs tors. theta energy: -151.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1766.713288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.713288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.713288 (E_RNA)
where:
Base-Base interactions energy: -1217.522
where: short stacking energy: -490.442
Base-Backbone interact. energy: 4.686
local terms energy: -553.877594
where:
bonds (distance) C4'-P energy: -100.693
bonds (distance) P-C4' energy: -115.931
flat angles C4'-P-C4' energy: -118.766
flat angles P-C4'-P energy: -73.329
tors. eta vs tors. theta energy: -145.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1689.721451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.721451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.721451 (E_RNA)
where:
Base-Base interactions energy: -1119.212
where: short stacking energy: -471.205
Base-Backbone interact. energy: -4.968
local terms energy: -565.541625
where:
bonds (distance) C4'-P energy: -113.119
bonds (distance) P-C4' energy: -119.523
flat angles C4'-P-C4' energy: -115.299
flat angles P-C4'-P energy: -80.039
tors. eta vs tors. theta energy: -137.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1554.092317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.092317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.092317 (E_RNA)
where:
Base-Base interactions energy: -1003.172
where: short stacking energy: -484.236
Base-Backbone interact. energy: -1.779
local terms energy: -549.141970
where:
bonds (distance) C4'-P energy: -105.248
bonds (distance) P-C4' energy: -118.129
flat angles C4'-P-C4' energy: -121.007
flat angles P-C4'-P energy: -62.358
tors. eta vs tors. theta energy: -142.400
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: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1346.183214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.183214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.183214 (E_RNA)
where:
Base-Base interactions energy: -871.787
where: short stacking energy: -402.333
Base-Backbone interact. energy: -1.952
local terms energy: -472.444677
where:
bonds (distance) C4'-P energy: -101.595
bonds (distance) P-C4' energy: -106.541
flat angles C4'-P-C4' energy: -99.344
flat angles P-C4'-P energy: -66.092
tors. eta vs tors. theta energy: -98.873
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: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1074.751617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.751617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.751617 (E_RNA)
where:
Base-Base interactions energy: -657.310
where: short stacking energy: -296.659
Base-Backbone interact. energy: 2.366
local terms energy: -419.807314
where:
bonds (distance) C4'-P energy: -89.991
bonds (distance) P-C4' energy: -103.630
flat angles C4'-P-C4' energy: -110.986
flat angles P-C4'-P energy: -79.544
tors. eta vs tors. theta energy: -35.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -845.834655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.834655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.834655 (E_RNA)
where:
Base-Base interactions energy: -474.282
where: short stacking energy: -242.659
Base-Backbone interact. energy: 0.145
local terms energy: -371.697696
where:
bonds (distance) C4'-P energy: -83.726
bonds (distance) P-C4' energy: -106.429
flat angles C4'-P-C4' energy: -98.002
flat angles P-C4'-P energy: -51.279
tors. eta vs tors. theta energy: -32.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -621.726858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.726858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.726858 (E_RNA)
where:
Base-Base interactions energy: -277.219
where: short stacking energy: -156.956
Base-Backbone interact. energy: 2.171
local terms energy: -346.678536
where:
bonds (distance) C4'-P energy: -110.912
bonds (distance) P-C4' energy: -109.658
flat angles C4'-P-C4' energy: -90.740
flat angles P-C4'-P energy: -52.364
tors. eta vs tors. theta energy: 16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -453.233007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.233007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.233007 (E_RNA)
where:
Base-Base interactions energy: -122.258
where: short stacking energy: -103.905
Base-Backbone interact. energy: 0.733
local terms energy: -331.708428
where:
bonds (distance) C4'-P energy: -96.395
bonds (distance) P-C4' energy: -111.079
flat angles C4'-P-C4' energy: -82.080
flat angles P-C4'-P energy: -58.513
tors. eta vs tors. theta energy: 16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1839.292667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.292667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.292667 (E_RNA)
where:
Base-Base interactions energy: -1233.492
where: short stacking energy: -535.619
Base-Backbone interact. energy: -0.652
local terms energy: -605.148811
where:
bonds (distance) C4'-P energy: -112.013
bonds (distance) P-C4' energy: -123.946
flat angles C4'-P-C4' energy: -134.273
flat angles P-C4'-P energy: -93.470
tors. eta vs tors. theta energy: -141.446
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: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1912.106562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.106562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.106562 (E_RNA)
where:
Base-Base interactions energy: -1318.579
where: short stacking energy: -567.515
Base-Backbone interact. energy: -2.831
local terms energy: -590.697244
where:
bonds (distance) C4'-P energy: -112.445
bonds (distance) P-C4' energy: -113.308
flat angles C4'-P-C4' energy: -126.387
flat angles P-C4'-P energy: -77.739
tors. eta vs tors. theta energy: -160.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1768.250460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.250460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.250460 (E_RNA)
where:
Base-Base interactions energy: -1205.808
where: short stacking energy: -490.408
Base-Backbone interact. energy: -3.899
local terms energy: -558.543963
where:
bonds (distance) C4'-P energy: -104.276
bonds (distance) P-C4' energy: -114.028
flat angles C4'-P-C4' energy: -127.575
flat angles P-C4'-P energy: -74.573
tors. eta vs tors. theta energy: -138.092
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: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1638.870846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.870846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.870846 (E_RNA)
where:
Base-Base interactions energy: -1091.859
where: short stacking energy: -474.418
Base-Backbone interact. energy: -1.025
local terms energy: -545.987507
where:
bonds (distance) C4'-P energy: -108.150
bonds (distance) P-C4' energy: -115.861
flat angles C4'-P-C4' energy: -123.723
flat angles P-C4'-P energy: -75.455
tors. eta vs tors. theta energy: -122.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1533.792318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.792318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.792318 (E_RNA)
where:
Base-Base interactions energy: -1014.639
where: short stacking energy: -443.422
Base-Backbone interact. energy: 2.884
local terms energy: -522.037249
where:
bonds (distance) C4'-P energy: -95.946
bonds (distance) P-C4' energy: -110.288
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -77.372
tors. eta vs tors. theta energy: -128.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1253.340861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.340861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.340861 (E_RNA)
where:
Base-Base interactions energy: -803.487
where: short stacking energy: -384.189
Base-Backbone interact. energy: 0.241
local terms energy: -450.094796
where:
bonds (distance) C4'-P energy: -93.820
bonds (distance) P-C4' energy: -101.345
flat angles C4'-P-C4' energy: -108.331
flat angles P-C4'-P energy: -72.187
tors. eta vs tors. theta energy: -74.412
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: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1096.226394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.226394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.226394 (E_RNA)
where:
Base-Base interactions energy: -677.178
where: short stacking energy: -326.601
Base-Backbone interact. energy: 2.945
local terms energy: -421.993148
where:
bonds (distance) C4'-P energy: -101.991
bonds (distance) P-C4' energy: -102.480
flat angles C4'-P-C4' energy: -84.348
flat angles P-C4'-P energy: -55.501
tors. eta vs tors. theta energy: -77.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -806.761542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.761542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.761542 (E_RNA)
where:
Base-Base interactions energy: -429.942
where: short stacking energy: -216.946
Base-Backbone interact. energy: -1.952
local terms energy: -374.867026
where:
bonds (distance) C4'-P energy: -95.004
bonds (distance) P-C4' energy: -115.148
flat angles C4'-P-C4' energy: -96.210
flat angles P-C4'-P energy: -53.588
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -627.071383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.071383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.071383 (E_RNA)
where:
Base-Base interactions energy: -296.006
where: short stacking energy: -184.312
Base-Backbone interact. energy: -1.837
local terms energy: -329.228635
where:
bonds (distance) C4'-P energy: -71.650
bonds (distance) P-C4' energy: -78.718
flat angles C4'-P-C4' energy: -101.740
flat angles P-C4'-P energy: -71.525
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -443.715646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.715646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.715646 (E_RNA)
where:
Base-Base interactions energy: -155.598
where: short stacking energy: -128.326
Base-Backbone interact. energy: 1.375
local terms energy: -289.492240
where:
bonds (distance) C4'-P energy: -91.638
bonds (distance) P-C4' energy: -92.282
flat angles C4'-P-C4' energy: -77.029
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: 18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1841.969995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.969995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.969995 (E_RNA)
where:
Base-Base interactions energy: -1240.509
where: short stacking energy: -516.964
Base-Backbone interact. energy: -4.215
local terms energy: -597.245980
where:
bonds (distance) C4'-P energy: -103.450
bonds (distance) P-C4' energy: -124.496
flat angles C4'-P-C4' energy: -132.250
flat angles P-C4'-P energy: -93.030
tors. eta vs tors. theta energy: -144.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1893.933527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.933527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.933527 (E_RNA)
where:
Base-Base interactions energy: -1269.680
where: short stacking energy: -533.543
Base-Backbone interact. energy: 2.371
local terms energy: -626.624580
where:
bonds (distance) C4'-P energy: -119.950
bonds (distance) P-C4' energy: -131.190
flat angles C4'-P-C4' energy: -133.798
flat angles P-C4'-P energy: -78.709
tors. eta vs tors. theta energy: -162.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1760.764869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.764869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.764869 (E_RNA)
where:
Base-Base interactions energy: -1188.630
where: short stacking energy: -490.858
Base-Backbone interact. energy: -5.553
local terms energy: -566.581677
where:
bonds (distance) C4'-P energy: -117.660
bonds (distance) P-C4' energy: -112.577
flat angles C4'-P-C4' energy: -126.235
flat angles P-C4'-P energy: -80.847
tors. eta vs tors. theta energy: -129.263
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: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1675.740252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.740252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.740252 (E_RNA)
where:
Base-Base interactions energy: -1152.869
where: short stacking energy: -497.429
Base-Backbone interact. energy: -0.583
local terms energy: -522.288261
where:
bonds (distance) C4'-P energy: -118.152
bonds (distance) P-C4' energy: -101.480
flat angles C4'-P-C4' energy: -107.349
flat angles P-C4'-P energy: -68.253
tors. eta vs tors. theta energy: -127.054
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: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1530.583691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.583691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.583691 (E_RNA)
where:
Base-Base interactions energy: -994.061
where: short stacking energy: -448.415
Base-Backbone interact. energy: 1.034
local terms energy: -537.556551
where:
bonds (distance) C4'-P energy: -108.887
bonds (distance) P-C4' energy: -94.908
flat angles C4'-P-C4' energy: -122.425
flat angles P-C4'-P energy: -76.416
tors. eta vs tors. theta energy: -134.921
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: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1338.338728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.338728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.338728 (E_RNA)
where:
Base-Base interactions energy: -872.120
where: short stacking energy: -389.444
Base-Backbone interact. energy: -1.646
local terms energy: -464.572246
where:
bonds (distance) C4'-P energy: -100.375
bonds (distance) P-C4' energy: -98.347
flat angles C4'-P-C4' energy: -107.929
flat angles P-C4'-P energy: -74.979
tors. eta vs tors. theta energy: -82.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1138.133616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.133616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.133616 (E_RNA)
where:
Base-Base interactions energy: -698.378
where: short stacking energy: -338.057
Base-Backbone interact. energy: -1.258
local terms energy: -438.497491
where:
bonds (distance) C4'-P energy: -106.072
bonds (distance) P-C4' energy: -104.850
flat angles C4'-P-C4' energy: -94.492
flat angles P-C4'-P energy: -66.392
tors. eta vs tors. theta energy: -66.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -860.827887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.827887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.827887 (E_RNA)
where:
Base-Base interactions energy: -481.548
where: short stacking energy: -240.987
Base-Backbone interact. energy: -1.621
local terms energy: -377.658984
where:
bonds (distance) C4'-P energy: -94.672
bonds (distance) P-C4' energy: -100.177
flat angles C4'-P-C4' energy: -86.570
flat angles P-C4'-P energy: -51.861
tors. eta vs tors. theta energy: -44.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -571.282764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.282764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.282764 (E_RNA)
where:
Base-Base interactions energy: -270.866
where: short stacking energy: -170.924
Base-Backbone interact. energy: 0.711
local terms energy: -301.127662
where:
bonds (distance) C4'-P energy: -79.562
bonds (distance) P-C4' energy: -98.870
flat angles C4'-P-C4' energy: -98.716
flat angles P-C4'-P energy: -37.305
tors. eta vs tors. theta energy: 13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -427.786387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.786387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.786387 (E_RNA)
where:
Base-Base interactions energy: -148.823
where: short stacking energy: -120.829
Base-Backbone interact. energy: 7.641
local terms energy: -286.604136
where:
bonds (distance) C4'-P energy: -79.395
bonds (distance) P-C4' energy: -80.578
flat angles C4'-P-C4' energy: -102.493
flat angles P-C4'-P energy: -41.144
tors. eta vs tors. theta energy: 17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1943.129285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.129285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.129285 (E_RNA)
where:
Base-Base interactions energy: -1334.738
where: short stacking energy: -558.392
Base-Backbone interact. energy: -2.152
local terms energy: -606.239689
where:
bonds (distance) C4'-P energy: -108.555
bonds (distance) P-C4' energy: -126.176
flat angles C4'-P-C4' energy: -123.663
flat angles P-C4'-P energy: -89.800
tors. eta vs tors. theta energy: -158.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1799.100798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.100798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.100798 (E_RNA)
where:
Base-Base interactions energy: -1217.209
where: short stacking energy: -484.990
Base-Backbone interact. energy: -5.500
local terms energy: -576.391123
where:
bonds (distance) C4'-P energy: -114.025
bonds (distance) P-C4' energy: -104.511
flat angles C4'-P-C4' energy: -122.712
flat angles P-C4'-P energy: -86.831
tors. eta vs tors. theta energy: -148.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1783.441463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.441463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.441463 (E_RNA)
where:
Base-Base interactions energy: -1227.274
where: short stacking energy: -501.450
Base-Backbone interact. energy: 3.805
local terms energy: -559.971970
where:
bonds (distance) C4'-P energy: -103.597
bonds (distance) P-C4' energy: -119.555
flat angles C4'-P-C4' energy: -117.214
flat angles P-C4'-P energy: -90.013
tors. eta vs tors. theta energy: -129.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1636.931620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.931620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.931620 (E_RNA)
where:
Base-Base interactions energy: -1100.645
where: short stacking energy: -469.179
Base-Backbone interact. energy: -3.908
local terms energy: -532.379104
where:
bonds (distance) C4'-P energy: -111.012
bonds (distance) P-C4' energy: -106.921
flat angles C4'-P-C4' energy: -114.523
flat angles P-C4'-P energy: -72.783
tors. eta vs tors. theta energy: -127.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1527.275246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.275246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.275246 (E_RNA)
where:
Base-Base interactions energy: -1002.044
where: short stacking energy: -466.102
Base-Backbone interact. energy: -4.649
local terms energy: -520.582659
where:
bonds (distance) C4'-P energy: -98.795
bonds (distance) P-C4' energy: -104.321
flat angles C4'-P-C4' energy: -103.619
flat angles P-C4'-P energy: -81.230
tors. eta vs tors. theta energy: -132.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1298.071613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.071613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.071613 (E_RNA)
where:
Base-Base interactions energy: -809.906
where: short stacking energy: -368.641
Base-Backbone interact. energy: -0.439
local terms energy: -487.726235
where:
bonds (distance) C4'-P energy: -106.655
bonds (distance) P-C4' energy: -116.823
flat angles C4'-P-C4' energy: -112.208
flat angles P-C4'-P energy: -69.744
tors. eta vs tors. theta energy: -82.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1129.495000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.495000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.495000 (E_RNA)
where:
Base-Base interactions energy: -719.375
where: short stacking energy: -329.988
Base-Backbone interact. energy: 2.659
local terms energy: -412.779395
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -115.412
flat angles C4'-P-C4' energy: -100.763
flat angles P-C4'-P energy: -58.457
tors. eta vs tors. theta energy: -44.955
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: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -845.606925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.606925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.606925 (E_RNA)
where:
Base-Base interactions energy: -500.926
where: short stacking energy: -239.856
Base-Backbone interact. energy: 1.650
local terms energy: -346.330686
where:
bonds (distance) C4'-P energy: -99.452
bonds (distance) P-C4' energy: -90.052
flat angles C4'-P-C4' energy: -101.236
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -553.588242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.588242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.588242 (E_RNA)
where:
Base-Base interactions energy: -264.746
where: short stacking energy: -158.601
Base-Backbone interact. energy: -0.509
local terms energy: -288.333497
where:
bonds (distance) C4'-P energy: -72.175
bonds (distance) P-C4' energy: -106.460
flat angles C4'-P-C4' energy: -79.184
flat angles P-C4'-P energy: -44.125
tors. eta vs tors. theta energy: 13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -464.565996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.565996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.565996 (E_RNA)
where:
Base-Base interactions energy: -165.197
where: short stacking energy: -102.515
Base-Backbone interact. energy: 10.157
local terms energy: -309.525651
where:
bonds (distance) C4'-P energy: -102.920
bonds (distance) P-C4' energy: -95.002
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -48.827
tors. eta vs tors. theta energy: 22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1956.924267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.924267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.924267 (E_RNA)
where:
Base-Base interactions energy: -1345.085
where: short stacking energy: -578.925
Base-Backbone interact. energy: -3.217
local terms energy: -608.622602
where:
bonds (distance) C4'-P energy: -100.670
bonds (distance) P-C4' energy: -122.569
flat angles C4'-P-C4' energy: -128.057
flat angles P-C4'-P energy: -86.122
tors. eta vs tors. theta energy: -171.205
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: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1800.473685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.473685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.473685 (E_RNA)
where:
Base-Base interactions energy: -1233.333
where: short stacking energy: -525.801
Base-Backbone interact. energy: -4.960
local terms energy: -562.181047
where:
bonds (distance) C4'-P energy: -122.881
bonds (distance) P-C4' energy: -107.741
flat angles C4'-P-C4' energy: -112.168
flat angles P-C4'-P energy: -70.206
tors. eta vs tors. theta energy: -149.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1789.396946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.396946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.396946 (E_RNA)
where:
Base-Base interactions energy: -1221.424
where: short stacking energy: -487.770
Base-Backbone interact. energy: -0.924
local terms energy: -567.048777
where:
bonds (distance) C4'-P energy: -102.750
bonds (distance) P-C4' energy: -116.930
flat angles C4'-P-C4' energy: -130.749
flat angles P-C4'-P energy: -77.832
tors. eta vs tors. theta energy: -138.789
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: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1646.640174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.640174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.640174 (E_RNA)
where:
Base-Base interactions energy: -1104.802
where: short stacking energy: -460.481
Base-Backbone interact. energy: -1.488
local terms energy: -540.349955
where:
bonds (distance) C4'-P energy: -109.568
bonds (distance) P-C4' energy: -103.158
flat angles C4'-P-C4' energy: -116.866
flat angles P-C4'-P energy: -81.712
tors. eta vs tors. theta energy: -129.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1498.974898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.974898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.974898 (E_RNA)
where:
Base-Base interactions energy: -993.544
where: short stacking energy: -454.543
Base-Backbone interact. energy: -0.671
local terms energy: -504.759548
where:
bonds (distance) C4'-P energy: -93.922
bonds (distance) P-C4' energy: -109.766
flat angles C4'-P-C4' energy: -110.291
flat angles P-C4'-P energy: -71.975
tors. eta vs tors. theta energy: -118.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1301.665317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.665317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.665317 (E_RNA)
where:
Base-Base interactions energy: -858.641
where: short stacking energy: -351.862
Base-Backbone interact. energy: -2.110
local terms energy: -440.913809
where:
bonds (distance) C4'-P energy: -82.025
bonds (distance) P-C4' energy: -98.873
flat angles C4'-P-C4' energy: -96.833
flat angles P-C4'-P energy: -68.139
tors. eta vs tors. theta energy: -95.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1124.378746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.378746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.378746 (E_RNA)
where:
Base-Base interactions energy: -709.577
where: short stacking energy: -333.652
Base-Backbone interact. energy: -1.632
local terms energy: -413.170547
where:
bonds (distance) C4'-P energy: -96.960
bonds (distance) P-C4' energy: -105.318
flat angles C4'-P-C4' energy: -95.556
flat angles P-C4'-P energy: -53.665
tors. eta vs tors. theta energy: -61.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -839.918983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.918983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.918983 (E_RNA)
where:
Base-Base interactions energy: -453.781
where: short stacking energy: -253.526
Base-Backbone interact. energy: 0.988
local terms energy: -387.125444
where:
bonds (distance) C4'-P energy: -92.156
bonds (distance) P-C4' energy: -113.287
flat angles C4'-P-C4' energy: -88.689
flat angles P-C4'-P energy: -62.099
tors. eta vs tors. theta energy: -30.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -557.802540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.802540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.802540 (E_RNA)
where:
Base-Base interactions energy: -208.374
where: short stacking energy: -147.360
Base-Backbone interact. energy: 2.282
local terms energy: -351.709983
where:
bonds (distance) C4'-P energy: -101.279
bonds (distance) P-C4' energy: -92.687
flat angles C4'-P-C4' energy: -97.573
flat angles P-C4'-P energy: -55.480
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -445.761713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.761713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.761713 (E_RNA)
where:
Base-Base interactions energy: -142.093
where: short stacking energy: -103.033
Base-Backbone interact. energy: 2.781
local terms energy: -306.449254
where:
bonds (distance) C4'-P energy: -90.916
bonds (distance) P-C4' energy: -104.235
flat angles C4'-P-C4' energy: -94.039
flat angles P-C4'-P energy: -43.229
tors. eta vs tors. theta energy: 25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1999.652211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.652211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.652211 (E_RNA)
where:
Base-Base interactions energy: -1343.185
where: short stacking energy: -570.038
Base-Backbone interact. energy: -1.760
local terms energy: -654.707548
where:
bonds (distance) C4'-P energy: -122.146
bonds (distance) P-C4' energy: -129.301
flat angles C4'-P-C4' energy: -139.915
flat angles P-C4'-P energy: -93.538
tors. eta vs tors. theta energy: -169.808
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: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1803.769516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.769516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.769516 (E_RNA)
where:
Base-Base interactions energy: -1222.178
where: short stacking energy: -520.537
Base-Backbone interact. energy: -0.032
local terms energy: -581.559290
where:
bonds (distance) C4'-P energy: -111.238
bonds (distance) P-C4' energy: -112.470
flat angles C4'-P-C4' energy: -123.597
flat angles P-C4'-P energy: -74.036
tors. eta vs tors. theta energy: -160.219
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: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1755.721564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.721564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.721564 (E_RNA)
where:
Base-Base interactions energy: -1203.947
where: short stacking energy: -498.395
Base-Backbone interact. energy: -2.538
local terms energy: -549.236613
where:
bonds (distance) C4'-P energy: -107.074
bonds (distance) P-C4' energy: -112.922
flat angles C4'-P-C4' energy: -119.699
flat angles P-C4'-P energy: -75.282
tors. eta vs tors. theta energy: -134.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1664.219354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.219354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.219354 (E_RNA)
where:
Base-Base interactions energy: -1135.059
where: short stacking energy: -461.548
Base-Backbone interact. energy: -3.630
local terms energy: -525.530834
where:
bonds (distance) C4'-P energy: -109.809
bonds (distance) P-C4' energy: -111.233
flat angles C4'-P-C4' energy: -115.947
flat angles P-C4'-P energy: -66.839
tors. eta vs tors. theta energy: -121.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1551.667399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.667399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.667399 (E_RNA)
where:
Base-Base interactions energy: -1019.087
where: short stacking energy: -449.160
Base-Backbone interact. energy: -0.353
local terms energy: -532.227789
where:
bonds (distance) C4'-P energy: -95.589
bonds (distance) P-C4' energy: -115.226
flat angles C4'-P-C4' energy: -118.711
flat angles P-C4'-P energy: -71.140
tors. eta vs tors. theta energy: -131.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1446.421755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.421755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.421755 (E_RNA)
where:
Base-Base interactions energy: -982.124
where: short stacking energy: -429.725
Base-Backbone interact. energy: -0.999
local terms energy: -463.299436
where:
bonds (distance) C4'-P energy: -88.565
bonds (distance) P-C4' energy: -94.811
flat angles C4'-P-C4' energy: -118.756
flat angles P-C4'-P energy: -55.443
tors. eta vs tors. theta energy: -105.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1125.477675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.477675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.477675 (E_RNA)
where:
Base-Base interactions energy: -696.299
where: short stacking energy: -318.321
Base-Backbone interact. energy: 0.103
local terms energy: -429.281443
where:
bonds (distance) C4'-P energy: -112.501
bonds (distance) P-C4' energy: -100.876
flat angles C4'-P-C4' energy: -104.668
flat angles P-C4'-P energy: -47.666
tors. eta vs tors. theta energy: -63.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -815.322393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.322393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.322393 (E_RNA)
where:
Base-Base interactions energy: -460.692
where: short stacking energy: -260.374
Base-Backbone interact. energy: 0.527
local terms energy: -355.157348
where:
bonds (distance) C4'-P energy: -96.178
bonds (distance) P-C4' energy: -103.630
flat angles C4'-P-C4' energy: -82.235
flat angles P-C4'-P energy: -53.434
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -537.173027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.173027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.173027 (E_RNA)
where:
Base-Base interactions energy: -212.250
where: short stacking energy: -133.720
Base-Backbone interact. energy: 1.290
local terms energy: -326.213431
where:
bonds (distance) C4'-P energy: -108.069
bonds (distance) P-C4' energy: -81.391
flat angles C4'-P-C4' energy: -93.265
flat angles P-C4'-P energy: -57.500
tors. eta vs tors. theta energy: 14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -512.431864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.431864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.431864 (E_RNA)
where:
Base-Base interactions energy: -200.861
where: short stacking energy: -137.584
Base-Backbone interact. energy: 3.806
local terms energy: -315.376562
where:
bonds (distance) C4'-P energy: -82.299
bonds (distance) P-C4' energy: -106.475
flat angles C4'-P-C4' energy: -87.519
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: 7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1976.206315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.206315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.206315 (E_RNA)
where:
Base-Base interactions energy: -1365.414
where: short stacking energy: -589.406
Base-Backbone interact. energy: -2.191
local terms energy: -608.602024
where:
bonds (distance) C4'-P energy: -104.915
bonds (distance) P-C4' energy: -109.778
flat angles C4'-P-C4' energy: -139.128
flat angles P-C4'-P energy: -82.146
tors. eta vs tors. theta energy: -172.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1813.811201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.811201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.811201 (E_RNA)
where:
Base-Base interactions energy: -1206.841
where: short stacking energy: -534.456
Base-Backbone interact. energy: -3.642
local terms energy: -603.328117
where:
bonds (distance) C4'-P energy: -107.275
bonds (distance) P-C4' energy: -124.968
flat angles C4'-P-C4' energy: -132.327
flat angles P-C4'-P energy: -77.957
tors. eta vs tors. theta energy: -160.801
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: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1760.110401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.110401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.110401 (E_RNA)
where:
Base-Base interactions energy: -1197.556
where: short stacking energy: -504.641
Base-Backbone interact. energy: 0.230
local terms energy: -562.784707
where:
bonds (distance) C4'-P energy: -108.919
bonds (distance) P-C4' energy: -122.188
flat angles C4'-P-C4' energy: -113.378
flat angles P-C4'-P energy: -80.769
tors. eta vs tors. theta energy: -137.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1668.102295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.102295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.102295 (E_RNA)
where:
Base-Base interactions energy: -1144.682
where: short stacking energy: -455.250
Base-Backbone interact. energy: -3.586
local terms energy: -519.834798
where:
bonds (distance) C4'-P energy: -91.020
bonds (distance) P-C4' energy: -110.135
flat angles C4'-P-C4' energy: -111.428
flat angles P-C4'-P energy: -80.121
tors. eta vs tors. theta energy: -127.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1599.622455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.622455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.622455 (E_RNA)
where:
Base-Base interactions energy: -1047.417
where: short stacking energy: -490.101
Base-Backbone interact. energy: -1.839
local terms energy: -550.366219
where:
bonds (distance) C4'-P energy: -112.109
bonds (distance) P-C4' energy: -104.599
flat angles C4'-P-C4' energy: -120.034
flat angles P-C4'-P energy: -75.194
tors. eta vs tors. theta energy: -138.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1421.716528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.716528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.716528 (E_RNA)
where:
Base-Base interactions energy: -936.648
where: short stacking energy: -401.512
Base-Backbone interact. energy: -1.146
local terms energy: -483.922682
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -112.692
flat angles C4'-P-C4' energy: -103.403
flat angles P-C4'-P energy: -63.916
tors. eta vs tors. theta energy: -105.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1195.035885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.035885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.035885 (E_RNA)
where:
Base-Base interactions energy: -715.569
where: short stacking energy: -341.626
Base-Backbone interact. energy: -1.408
local terms energy: -478.058681
where:
bonds (distance) C4'-P energy: -104.354
bonds (distance) P-C4' energy: -112.573
flat angles C4'-P-C4' energy: -100.782
flat angles P-C4'-P energy: -76.068
tors. eta vs tors. theta energy: -84.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -816.376232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.376232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.376232 (E_RNA)
where:
Base-Base interactions energy: -465.918
where: short stacking energy: -249.725
Base-Backbone interact. energy: 5.714
local terms energy: -356.172105
where:
bonds (distance) C4'-P energy: -98.271
bonds (distance) P-C4' energy: -94.721
flat angles C4'-P-C4' energy: -85.100
flat angles P-C4'-P energy: -45.979
tors. eta vs tors. theta energy: -32.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -533.703539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.703539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.703539 (E_RNA)
where:
Base-Base interactions energy: -223.340
where: short stacking energy: -143.852
Base-Backbone interact. energy: 0.307
local terms energy: -310.670496
where:
bonds (distance) C4'-P energy: -95.678
bonds (distance) P-C4' energy: -111.695
flat angles C4'-P-C4' energy: -79.145
flat angles P-C4'-P energy: -46.067
tors. eta vs tors. theta energy: 21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -482.215478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.215478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.215478 (E_RNA)
where:
Base-Base interactions energy: -166.072
where: short stacking energy: -134.938
Base-Backbone interact. energy: -2.869
local terms energy: -313.274648
where:
bonds (distance) C4'-P energy: -93.556
bonds (distance) P-C4' energy: -103.804
flat angles C4'-P-C4' energy: -78.816
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: 8.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1928.592325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.592325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.592325 (E_RNA)
where:
Base-Base interactions energy: -1301.897
where: short stacking energy: -548.667
Base-Backbone interact. energy: -0.782
local terms energy: -625.914168
where:
bonds (distance) C4'-P energy: -119.114
bonds (distance) P-C4' energy: -125.315
flat angles C4'-P-C4' energy: -127.865
flat angles P-C4'-P energy: -95.624
tors. eta vs tors. theta energy: -157.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1827.573974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.573974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.573974 (E_RNA)
where:
Base-Base interactions energy: -1241.517
where: short stacking energy: -501.475
Base-Backbone interact. energy: -2.915
local terms energy: -583.141580
where:
bonds (distance) C4'-P energy: -110.647
bonds (distance) P-C4' energy: -116.902
flat angles C4'-P-C4' energy: -122.079
flat angles P-C4'-P energy: -89.441
tors. eta vs tors. theta energy: -144.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1771.475475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.475475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.475475 (E_RNA)
where:
Base-Base interactions energy: -1181.299
where: short stacking energy: -518.066
Base-Backbone interact. energy: -3.368
local terms energy: -586.809106
where:
bonds (distance) C4'-P energy: -122.431
bonds (distance) P-C4' energy: -123.319
flat angles C4'-P-C4' energy: -114.467
flat angles P-C4'-P energy: -86.194
tors. eta vs tors. theta energy: -140.398
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: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1687.288289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.288289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.288289 (E_RNA)
where:
Base-Base interactions energy: -1150.674
where: short stacking energy: -487.626
Base-Backbone interact. energy: 3.255
local terms energy: -539.869784
where:
bonds (distance) C4'-P energy: -108.324
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -117.510
flat angles P-C4'-P energy: -85.069
tors. eta vs tors. theta energy: -133.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1605.834107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.834107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.834107 (E_RNA)
where:
Base-Base interactions energy: -1076.742
where: short stacking energy: -479.732
Base-Backbone interact. energy: 2.381
local terms energy: -531.473212
where:
bonds (distance) C4'-P energy: -110.424
bonds (distance) P-C4' energy: -93.529
flat angles C4'-P-C4' energy: -118.620
flat angles P-C4'-P energy: -67.049
tors. eta vs tors. theta energy: -141.852
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: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1468.524521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.524521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.524521 (E_RNA)
where:
Base-Base interactions energy: -956.151
where: short stacking energy: -405.820
Base-Backbone interact. energy: 1.240
local terms energy: -513.612815
where:
bonds (distance) C4'-P energy: -99.890
bonds (distance) P-C4' energy: -119.085
flat angles C4'-P-C4' energy: -113.312
flat angles P-C4'-P energy: -74.322
tors. eta vs tors. theta energy: -107.004
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: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1175.213294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.213294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.213294 (E_RNA)
where:
Base-Base interactions energy: -736.849
where: short stacking energy: -311.275
Base-Backbone interact. energy: -1.674
local terms energy: -436.690436
where:
bonds (distance) C4'-P energy: -100.927
bonds (distance) P-C4' energy: -102.032
flat angles C4'-P-C4' energy: -112.894
flat angles P-C4'-P energy: -54.643
tors. eta vs tors. theta energy: -66.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -818.083559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.083559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.083559 (E_RNA)
where:
Base-Base interactions energy: -454.765
where: short stacking energy: -217.627
Base-Backbone interact. energy: -2.187
local terms energy: -361.131170
where:
bonds (distance) C4'-P energy: -108.546
bonds (distance) P-C4' energy: -117.211
flat angles C4'-P-C4' energy: -82.379
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -546.523105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.523105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.523105 (E_RNA)
where:
Base-Base interactions energy: -208.785
where: short stacking energy: -188.358
Base-Backbone interact. energy: -1.873
local terms energy: -335.864772
where:
bonds (distance) C4'-P energy: -93.321
bonds (distance) P-C4' energy: -94.866
flat angles C4'-P-C4' energy: -87.738
flat angles P-C4'-P energy: -47.226
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -536.831656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.831656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.831656 (E_RNA)
where:
Base-Base interactions energy: -240.047
where: short stacking energy: -142.251
Base-Backbone interact. energy: 6.790
local terms energy: -303.574867
where:
bonds (distance) C4'-P energy: -92.373
bonds (distance) P-C4' energy: -95.829
flat angles C4'-P-C4' energy: -83.239
flat angles P-C4'-P energy: -47.756
tors. eta vs tors. theta energy: 15.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1958.846932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.846932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.846932 (E_RNA)
where:
Base-Base interactions energy: -1339.393
where: short stacking energy: -570.020
Base-Backbone interact. energy: -3.008
local terms energy: -616.446536
where:
bonds (distance) C4'-P energy: -115.363
bonds (distance) P-C4' energy: -119.244
flat angles C4'-P-C4' energy: -132.031
flat angles P-C4'-P energy: -81.680
tors. eta vs tors. theta energy: -168.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1851.113269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.113269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.113269 (E_RNA)
where:
Base-Base interactions energy: -1274.231
where: short stacking energy: -511.823
Base-Backbone interact. energy: -4.396
local terms energy: -572.486450
where:
bonds (distance) C4'-P energy: -104.793
bonds (distance) P-C4' energy: -112.819
flat angles C4'-P-C4' energy: -126.398
flat angles P-C4'-P energy: -80.855
tors. eta vs tors. theta energy: -147.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1771.868829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.868829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.868829 (E_RNA)
where:
Base-Base interactions energy: -1194.164
where: short stacking energy: -502.067
Base-Backbone interact. energy: 1.651
local terms energy: -579.356216
where:
bonds (distance) C4'-P energy: -113.164
bonds (distance) P-C4' energy: -115.796
flat angles C4'-P-C4' energy: -121.079
flat angles P-C4'-P energy: -85.661
tors. eta vs tors. theta energy: -143.657
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1697.863451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.863451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.863451 (E_RNA)
where:
Base-Base interactions energy: -1143.567
where: short stacking energy: -474.889
Base-Backbone interact. energy: -3.585
local terms energy: -550.710953
where:
bonds (distance) C4'-P energy: -113.492
bonds (distance) P-C4' energy: -115.254
flat angles C4'-P-C4' energy: -109.934
flat angles P-C4'-P energy: -85.854
tors. eta vs tors. theta energy: -126.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1571.949157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.949157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.949157 (E_RNA)
where:
Base-Base interactions energy: -1021.855
where: short stacking energy: -467.638
Base-Backbone interact. energy: -0.836
local terms energy: -549.258516
where:
bonds (distance) C4'-P energy: -120.620
bonds (distance) P-C4' energy: -97.909
flat angles C4'-P-C4' energy: -113.215
flat angles P-C4'-P energy: -83.011
tors. eta vs tors. theta energy: -134.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1406.177524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.177524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.177524 (E_RNA)
where:
Base-Base interactions energy: -907.395
where: short stacking energy: -402.358
Base-Backbone interact. energy: -0.431
local terms energy: -498.351695
where:
bonds (distance) C4'-P energy: -111.078
bonds (distance) P-C4' energy: -91.719
flat angles C4'-P-C4' energy: -109.707
flat angles P-C4'-P energy: -83.103
tors. eta vs tors. theta energy: -102.745
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: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1170.487025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.487025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.487025 (E_RNA)
where:
Base-Base interactions energy: -749.311
where: short stacking energy: -335.709
Base-Backbone interact. energy: 2.597
local terms energy: -423.772238
where:
bonds (distance) C4'-P energy: -102.651
bonds (distance) P-C4' energy: -93.009
flat angles C4'-P-C4' energy: -80.168
flat angles P-C4'-P energy: -69.670
tors. eta vs tors. theta energy: -78.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -848.753699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.753699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.753699 (E_RNA)
where:
Base-Base interactions energy: -478.316
where: short stacking energy: -237.692
Base-Backbone interact. energy: -0.675
local terms energy: -369.763089
where:
bonds (distance) C4'-P energy: -106.427
bonds (distance) P-C4' energy: -99.064
flat angles C4'-P-C4' energy: -97.733
flat angles P-C4'-P energy: -47.296
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -572.254886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.254886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.254886 (E_RNA)
where:
Base-Base interactions energy: -269.652
where: short stacking energy: -164.663
Base-Backbone interact. energy: -3.966
local terms energy: -298.636866
where:
bonds (distance) C4'-P energy: -82.560
bonds (distance) P-C4' energy: -109.299
flat angles C4'-P-C4' energy: -75.700
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: 4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -457.199031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.199031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.199031 (E_RNA)
where:
Base-Base interactions energy: -136.624
where: short stacking energy: -117.119
Base-Backbone interact. energy: -2.653
local terms energy: -317.922553
where:
bonds (distance) C4'-P energy: -94.685
bonds (distance) P-C4' energy: -112.844
flat angles C4'-P-C4' energy: -82.796
flat angles P-C4'-P energy: -61.872
tors. eta vs tors. theta energy: 34.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2019.371462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.371462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.371462 (E_RNA)
where:
Base-Base interactions energy: -1375.168
where: short stacking energy: -600.428
Base-Backbone interact. energy: 0.678
local terms energy: -644.880574
where:
bonds (distance) C4'-P energy: -122.943
bonds (distance) P-C4' energy: -128.148
flat angles C4'-P-C4' energy: -125.848
flat angles P-C4'-P energy: -90.981
tors. eta vs tors. theta energy: -176.961
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: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1836.832280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.832280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.832280 (E_RNA)
where:
Base-Base interactions energy: -1258.161
where: short stacking energy: -511.183
Base-Backbone interact. energy: -4.185
local terms energy: -574.486734
where:
bonds (distance) C4'-P energy: -102.448
bonds (distance) P-C4' energy: -122.366
flat angles C4'-P-C4' energy: -121.254
flat angles P-C4'-P energy: -87.711
tors. eta vs tors. theta energy: -140.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1753.971697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.971697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.971697 (E_RNA)
where:
Base-Base interactions energy: -1204.334
where: short stacking energy: -513.095
Base-Backbone interact. energy: -0.258
local terms energy: -549.379178
where:
bonds (distance) C4'-P energy: -103.931
bonds (distance) P-C4' energy: -112.053
flat angles C4'-P-C4' energy: -114.325
flat angles P-C4'-P energy: -75.098
tors. eta vs tors. theta energy: -143.973
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: 72
Temperature: 1.050000
Total energy: -1649.992141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.992141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.992141 (E_RNA)
where:
Base-Base interactions energy: -1131.015
where: short stacking energy: -467.093
Base-Backbone interact. energy: -1.465
local terms energy: -517.512410
where:
bonds (distance) C4'-P energy: -111.099
bonds (distance) P-C4' energy: -95.293
flat angles C4'-P-C4' energy: -114.312
flat angles P-C4'-P energy: -78.747
tors. eta vs tors. theta energy: -118.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1568.152189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.152189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.152189 (E_RNA)
where:
Base-Base interactions energy: -1018.972
where: short stacking energy: -441.258
Base-Backbone interact. energy: -1.491
local terms energy: -547.688386
where:
bonds (distance) C4'-P energy: -120.760
bonds (distance) P-C4' energy: -115.008
flat angles C4'-P-C4' energy: -113.959
flat angles P-C4'-P energy: -78.430
tors. eta vs tors. theta energy: -119.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1399.776889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.776889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.776889 (E_RNA)
where:
Base-Base interactions energy: -900.160
where: short stacking energy: -386.324
Base-Backbone interact. energy: -1.999
local terms energy: -497.617626
where:
bonds (distance) C4'-P energy: -102.141
bonds (distance) P-C4' energy: -121.065
flat angles C4'-P-C4' energy: -125.663
flat angles P-C4'-P energy: -44.719
tors. eta vs tors. theta energy: -104.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1217.675354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.675354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.675354 (E_RNA)
where:
Base-Base interactions energy: -754.080
where: short stacking energy: -344.767
Base-Backbone interact. energy: 0.113
local terms energy: -463.708681
where:
bonds (distance) C4'-P energy: -102.478
bonds (distance) P-C4' energy: -96.868
flat angles C4'-P-C4' energy: -100.611
flat angles P-C4'-P energy: -67.754
tors. eta vs tors. theta energy: -95.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -885.192570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.192570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.192570 (E_RNA)
where:
Base-Base interactions energy: -514.579
where: short stacking energy: -244.920
Base-Backbone interact. energy: 0.195
local terms energy: -370.808798
where:
bonds (distance) C4'-P energy: -84.123
bonds (distance) P-C4' energy: -105.585
flat angles C4'-P-C4' energy: -105.842
flat angles P-C4'-P energy: -52.633
tors. eta vs tors. theta energy: -22.626
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: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -593.363451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.363451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.363451 (E_RNA)
where:
Base-Base interactions energy: -231.619
where: short stacking energy: -172.416
Base-Backbone interact. energy: -1.438
local terms energy: -360.305856
where:
bonds (distance) C4'-P energy: -91.010
bonds (distance) P-C4' energy: -108.402
flat angles C4'-P-C4' energy: -96.235
flat angles P-C4'-P energy: -66.631
tors. eta vs tors. theta energy: 1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -527.350784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.350784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.350784 (E_RNA)
where:
Base-Base interactions energy: -222.250
where: short stacking energy: -149.385
Base-Backbone interact. energy: -2.767
local terms energy: -302.333034
where:
bonds (distance) C4'-P energy: -83.275
bonds (distance) P-C4' energy: -107.188
flat angles C4'-P-C4' energy: -74.333
flat angles P-C4'-P energy: -39.808
tors. eta vs tors. theta energy: 2.270
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: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1988.014616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.014616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.014616 (E_RNA)
where:
Base-Base interactions energy: -1356.801
where: short stacking energy: -589.645
Base-Backbone interact. energy: -4.181
local terms energy: -627.032180
where:
bonds (distance) C4'-P energy: -119.105
bonds (distance) P-C4' energy: -112.788
flat angles C4'-P-C4' energy: -129.972
flat angles P-C4'-P energy: -88.632
tors. eta vs tors. theta energy: -176.535
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: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1848.262645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.262645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.262645 (E_RNA)
where:
Base-Base interactions energy: -1282.931
where: short stacking energy: -528.785
Base-Backbone interact. energy: -0.702
local terms energy: -564.629698
where:
bonds (distance) C4'-P energy: -113.468
bonds (distance) P-C4' energy: -117.702
flat angles C4'-P-C4' energy: -114.781
flat angles P-C4'-P energy: -72.784
tors. eta vs tors. theta energy: -145.894
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: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1765.669095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.669095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.669095 (E_RNA)
where:
Base-Base interactions energy: -1182.942
where: short stacking energy: -497.113
Base-Backbone interact. energy: -1.669
local terms energy: -581.058068
where:
bonds (distance) C4'-P energy: -118.023
bonds (distance) P-C4' energy: -114.954
flat angles C4'-P-C4' energy: -129.146
flat angles P-C4'-P energy: -79.630
tors. eta vs tors. theta energy: -139.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1643.360399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.360399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.360399 (E_RNA)
where:
Base-Base interactions energy: -1112.993
where: short stacking energy: -467.912
Base-Backbone interact. energy: -2.402
local terms energy: -527.965330
where:
bonds (distance) C4'-P energy: -97.364
bonds (distance) P-C4' energy: -111.264
flat angles C4'-P-C4' energy: -123.749
flat angles P-C4'-P energy: -70.200
tors. eta vs tors. theta energy: -125.388
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: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1570.367924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.367924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.367924 (E_RNA)
where:
Base-Base interactions energy: -1046.641
where: short stacking energy: -455.218
Base-Backbone interact. energy: -1.432
local terms energy: -522.294932
where:
bonds (distance) C4'-P energy: -98.349
bonds (distance) P-C4' energy: -104.905
flat angles C4'-P-C4' energy: -108.697
flat angles P-C4'-P energy: -77.171
tors. eta vs tors. theta energy: -133.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1416.368255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.368255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.368255 (E_RNA)
where:
Base-Base interactions energy: -951.817
where: short stacking energy: -397.956
Base-Backbone interact. energy: 0.945
local terms energy: -465.495464
where:
bonds (distance) C4'-P energy: -89.678
bonds (distance) P-C4' energy: -106.073
flat angles C4'-P-C4' energy: -99.856
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: -99.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1239.523588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.523588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.523588 (E_RNA)
where:
Base-Base interactions energy: -787.551
where: short stacking energy: -356.081
Base-Backbone interact. energy: -1.488
local terms energy: -450.485031
where:
bonds (distance) C4'-P energy: -94.463
bonds (distance) P-C4' energy: -117.068
flat angles C4'-P-C4' energy: -104.464
flat angles P-C4'-P energy: -63.818
tors. eta vs tors. theta energy: -70.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -948.742390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.742390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.742390 (E_RNA)
where:
Base-Base interactions energy: -570.185
where: short stacking energy: -264.404
Base-Backbone interact. energy: 0.250
local terms energy: -378.808327
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -106.465
flat angles C4'-P-C4' energy: -91.628
flat angles P-C4'-P energy: -60.182
tors. eta vs tors. theta energy: -49.550
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: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -641.890990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.890990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.890990 (E_RNA)
where:
Base-Base interactions energy: -294.005
where: short stacking energy: -170.757
Base-Backbone interact. energy: -1.911
local terms energy: -345.975181
where:
bonds (distance) C4'-P energy: -80.561
bonds (distance) P-C4' energy: -95.382
flat angles C4'-P-C4' energy: -92.077
flat angles P-C4'-P energy: -55.743
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -462.427332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.427332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.427332 (E_RNA)
where:
Base-Base interactions energy: -134.396
where: short stacking energy: -114.977
Base-Backbone interact. energy: 3.487
local terms energy: -331.518284
where:
bonds (distance) C4'-P energy: -96.368
bonds (distance) P-C4' energy: -96.090
flat angles C4'-P-C4' energy: -103.738
flat angles P-C4'-P energy: -44.174
tors. eta vs tors. theta energy: 8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1991.114408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.114408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.114408 (E_RNA)
where:
Base-Base interactions energy: -1349.113
where: short stacking energy: -574.845
Base-Backbone interact. energy: 0.777
local terms energy: -642.778298
where:
bonds (distance) C4'-P energy: -125.077
bonds (distance) P-C4' energy: -115.693
flat angles C4'-P-C4' energy: -134.499
flat angles P-C4'-P energy: -94.220
tors. eta vs tors. theta energy: -173.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1847.161114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.161114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.161114 (E_RNA)
where:
Base-Base interactions energy: -1273.055
where: short stacking energy: -534.442
Base-Backbone interact. energy: 5.124
local terms energy: -579.230064
where:
bonds (distance) C4'-P energy: -102.971
bonds (distance) P-C4' energy: -133.836
flat angles C4'-P-C4' energy: -127.167
flat angles P-C4'-P energy: -75.422
tors. eta vs tors. theta energy: -139.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1725.846553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.846553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.846553 (E_RNA)
where:
Base-Base interactions energy: -1182.172
where: short stacking energy: -514.632
Base-Backbone interact. energy: 0.010
local terms energy: -543.684946
where:
bonds (distance) C4'-P energy: -111.209
bonds (distance) P-C4' energy: -110.697
flat angles C4'-P-C4' energy: -121.911
flat angles P-C4'-P energy: -64.481
tors. eta vs tors. theta energy: -135.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1676.669084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.669084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.669084 (E_RNA)
where:
Base-Base interactions energy: -1154.442
where: short stacking energy: -508.513
Base-Backbone interact. energy: -4.639
local terms energy: -517.587320
where:
bonds (distance) C4'-P energy: -104.745
bonds (distance) P-C4' energy: -100.418
flat angles C4'-P-C4' energy: -121.036
flat angles P-C4'-P energy: -47.108
tors. eta vs tors. theta energy: -144.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1598.288060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.288060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.288060 (E_RNA)
where:
Base-Base interactions energy: -1071.431
where: short stacking energy: -473.237
Base-Backbone interact. energy: -2.115
local terms energy: -524.742190
where:
bonds (distance) C4'-P energy: -94.204
bonds (distance) P-C4' energy: -97.053
flat angles C4'-P-C4' energy: -121.181
flat angles P-C4'-P energy: -77.216
tors. eta vs tors. theta energy: -135.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1457.570132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.570132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.570132 (E_RNA)
where:
Base-Base interactions energy: -967.853
where: short stacking energy: -425.869
Base-Backbone interact. energy: -2.874
local terms energy: -486.842993
where:
bonds (distance) C4'-P energy: -93.937
bonds (distance) P-C4' energy: -104.948
flat angles C4'-P-C4' energy: -108.813
flat angles P-C4'-P energy: -71.780
tors. eta vs tors. theta energy: -107.365
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: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1192.315762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.315762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.315762 (E_RNA)
where:
Base-Base interactions energy: -786.087
where: short stacking energy: -347.663
Base-Backbone interact. energy: 0.192
local terms energy: -406.420792
where:
bonds (distance) C4'-P energy: -89.331
bonds (distance) P-C4' energy: -89.549
flat angles C4'-P-C4' energy: -104.990
flat angles P-C4'-P energy: -36.521
tors. eta vs tors. theta energy: -86.030
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: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -949.052712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.052712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.052712 (E_RNA)
where:
Base-Base interactions energy: -554.660
where: short stacking energy: -259.560
Base-Backbone interact. energy: -1.747
local terms energy: -392.645872
where:
bonds (distance) C4'-P energy: -90.504
bonds (distance) P-C4' energy: -110.569
flat angles C4'-P-C4' energy: -86.737
flat angles P-C4'-P energy: -71.949
tors. eta vs tors. theta energy: -32.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -597.956510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.956510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.956510 (E_RNA)
where:
Base-Base interactions energy: -279.256
where: short stacking energy: -147.907
Base-Backbone interact. energy: 0.852
local terms energy: -319.552177
where:
bonds (distance) C4'-P energy: -63.472
bonds (distance) P-C4' energy: -108.540
flat angles C4'-P-C4' energy: -97.394
flat angles P-C4'-P energy: -49.092
tors. eta vs tors. theta energy: -1.053
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: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -445.231031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.231031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.231031 (E_RNA)
where:
Base-Base interactions energy: -139.158
where: short stacking energy: -105.589
Base-Backbone interact. energy: -2.737
local terms energy: -303.336461
where:
bonds (distance) C4'-P energy: -98.578
bonds (distance) P-C4' energy: -100.524
flat angles C4'-P-C4' energy: -80.400
flat angles P-C4'-P energy: -57.453
tors. eta vs tors. theta energy: 33.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1959.385863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.385863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.385863 (E_RNA)
where:
Base-Base interactions energy: -1354.894
where: short stacking energy: -540.879
Base-Backbone interact. energy: -2.763
local terms energy: -601.728793
where:
bonds (distance) C4'-P energy: -115.381
bonds (distance) P-C4' energy: -116.514
flat angles C4'-P-C4' energy: -127.897
flat angles P-C4'-P energy: -80.359
tors. eta vs tors. theta energy: -161.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1852.439864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.439864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.439864 (E_RNA)
where:
Base-Base interactions energy: -1280.121
where: short stacking energy: -532.880
Base-Backbone interact. energy: 4.013
local terms energy: -576.332577
where:
bonds (distance) C4'-P energy: -105.873
bonds (distance) P-C4' energy: -110.501
flat angles C4'-P-C4' energy: -128.978
flat angles P-C4'-P energy: -80.008
tors. eta vs tors. theta energy: -150.972
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: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1712.612118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.612118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.612118 (E_RNA)
where:
Base-Base interactions energy: -1159.042
where: short stacking energy: -471.899
Base-Backbone interact. energy: -1.230
local terms energy: -552.340088
where:
bonds (distance) C4'-P energy: -109.252
bonds (distance) P-C4' energy: -98.105
flat angles C4'-P-C4' energy: -126.715
flat angles P-C4'-P energy: -89.407
tors. eta vs tors. theta energy: -128.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1682.258979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.258979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.258979 (E_RNA)
where:
Base-Base interactions energy: -1128.775
where: short stacking energy: -477.947
Base-Backbone interact. energy: -1.907
local terms energy: -551.577287
where:
bonds (distance) C4'-P energy: -110.006
bonds (distance) P-C4' energy: -104.123
flat angles C4'-P-C4' energy: -118.735
flat angles P-C4'-P energy: -82.052
tors. eta vs tors. theta energy: -136.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1607.417250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.417250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.417250 (E_RNA)
where:
Base-Base interactions energy: -1107.281
where: short stacking energy: -449.119
Base-Backbone interact. energy: 4.498
local terms energy: -504.634107
where:
bonds (distance) C4'-P energy: -84.897
bonds (distance) P-C4' energy: -102.211
flat angles C4'-P-C4' energy: -127.064
flat angles P-C4'-P energy: -76.578
tors. eta vs tors. theta energy: -113.885
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: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1493.078300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.078300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.078300 (E_RNA)
where:
Base-Base interactions energy: -973.546
where: short stacking energy: -428.434
Base-Backbone interact. energy: -1.214
local terms energy: -518.318219
where:
bonds (distance) C4'-P energy: -104.103
bonds (distance) P-C4' energy: -99.703
flat angles C4'-P-C4' energy: -113.740
flat angles P-C4'-P energy: -80.073
tors. eta vs tors. theta energy: -120.699
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: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1209.469082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.469082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.469082 (E_RNA)
where:
Base-Base interactions energy: -792.931
where: short stacking energy: -370.199
Base-Backbone interact. energy: -1.936
local terms energy: -414.601633
where:
bonds (distance) C4'-P energy: -87.909
bonds (distance) P-C4' energy: -100.495
flat angles C4'-P-C4' energy: -87.381
flat angles P-C4'-P energy: -58.323
tors. eta vs tors. theta energy: -80.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -937.329929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.329929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.329929 (E_RNA)
where:
Base-Base interactions energy: -547.042
where: short stacking energy: -253.118
Base-Backbone interact. energy: -1.607
local terms energy: -388.680865
where:
bonds (distance) C4'-P energy: -75.468
bonds (distance) P-C4' energy: -98.505
flat angles C4'-P-C4' energy: -122.088
flat angles P-C4'-P energy: -57.028
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: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -612.373487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.373487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.373487 (E_RNA)
where:
Base-Base interactions energy: -294.141
where: short stacking energy: -179.123
Base-Backbone interact. energy: -1.814
local terms energy: -316.419167
where:
bonds (distance) C4'-P energy: -78.733
bonds (distance) P-C4' energy: -110.622
flat angles C4'-P-C4' energy: -83.981
flat angles P-C4'-P energy: -49.263
tors. eta vs tors. theta energy: 6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -459.426748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.426748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.426748 (E_RNA)
where:
Base-Base interactions energy: -181.112
where: short stacking energy: -114.670
Base-Backbone interact. energy: 5.193
local terms energy: -283.508175
where:
bonds (distance) C4'-P energy: -95.077
bonds (distance) P-C4' energy: -105.649
flat angles C4'-P-C4' energy: -90.489
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: 27.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1951.379624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.379624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.379624 (E_RNA)
where:
Base-Base interactions energy: -1335.301
where: short stacking energy: -561.876
Base-Backbone interact. energy: -2.925
local terms energy: -613.153728
where:
bonds (distance) C4'-P energy: -113.951
bonds (distance) P-C4' energy: -121.094
flat angles C4'-P-C4' energy: -133.173
flat angles P-C4'-P energy: -90.716
tors. eta vs tors. theta energy: -154.220
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: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1894.499948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.499948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.499948 (E_RNA)
where:
Base-Base interactions energy: -1297.951
where: short stacking energy: -544.031
Base-Backbone interact. energy: 1.019
local terms energy: -597.566960
where:
bonds (distance) C4'-P energy: -116.413
bonds (distance) P-C4' energy: -117.507
flat angles C4'-P-C4' energy: -129.061
flat angles P-C4'-P energy: -83.454
tors. eta vs tors. theta energy: -151.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1718.787984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.787984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.787984 (E_RNA)
where:
Base-Base interactions energy: -1167.958
where: short stacking energy: -493.013
Base-Backbone interact. energy: -0.752
local terms energy: -550.078288
where:
bonds (distance) C4'-P energy: -109.330
bonds (distance) P-C4' energy: -119.687
flat angles C4'-P-C4' energy: -125.551
flat angles P-C4'-P energy: -67.228
tors. eta vs tors. theta energy: -128.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1659.224831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.224831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.224831 (E_RNA)
where:
Base-Base interactions energy: -1116.686
where: short stacking energy: -462.659
Base-Backbone interact. energy: -3.705
local terms energy: -538.833802
where:
bonds (distance) C4'-P energy: -118.741
bonds (distance) P-C4' energy: -99.080
flat angles C4'-P-C4' energy: -123.888
flat angles P-C4'-P energy: -73.201
tors. eta vs tors. theta energy: -123.923
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: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1619.383893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.383893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.383893 (E_RNA)
where:
Base-Base interactions energy: -1099.566
where: short stacking energy: -457.549
Base-Backbone interact. energy: -3.406
local terms energy: -516.412603
where:
bonds (distance) C4'-P energy: -109.617
bonds (distance) P-C4' energy: -102.837
flat angles C4'-P-C4' energy: -114.036
flat angles P-C4'-P energy: -62.306
tors. eta vs tors. theta energy: -127.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1504.777061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.777061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.777061 (E_RNA)
where:
Base-Base interactions energy: -971.332
where: short stacking energy: -411.719
Base-Backbone interact. energy: -2.058
local terms energy: -531.386661
where:
bonds (distance) C4'-P energy: -127.680
bonds (distance) P-C4' energy: -96.471
flat angles C4'-P-C4' energy: -108.986
flat angles P-C4'-P energy: -80.414
tors. eta vs tors. theta energy: -117.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1296.482887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.482887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.482887 (E_RNA)
where:
Base-Base interactions energy: -825.879
where: short stacking energy: -377.566
Base-Backbone interact. energy: -3.238
local terms energy: -467.365580
where:
bonds (distance) C4'-P energy: -94.628
bonds (distance) P-C4' energy: -107.465
flat angles C4'-P-C4' energy: -106.156
flat angles P-C4'-P energy: -73.855
tors. eta vs tors. theta energy: -85.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -986.584443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.584443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.584443 (E_RNA)
where:
Base-Base interactions energy: -587.913
where: short stacking energy: -283.107
Base-Backbone interact. energy: -0.993
local terms energy: -397.678024
where:
bonds (distance) C4'-P energy: -102.233
bonds (distance) P-C4' energy: -95.249
flat angles C4'-P-C4' energy: -95.423
flat angles P-C4'-P energy: -58.425
tors. eta vs tors. theta energy: -46.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -528.058336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.058336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.058336 (E_RNA)
where:
Base-Base interactions energy: -199.425
where: short stacking energy: -140.487
Base-Backbone interact. energy: 2.275
local terms energy: -330.907996
where:
bonds (distance) C4'-P energy: -105.740
bonds (distance) P-C4' energy: -97.672
flat angles C4'-P-C4' energy: -79.689
flat angles P-C4'-P energy: -52.063
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: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -531.434915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.434915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.434915 (E_RNA)
where:
Base-Base interactions energy: -197.233
where: short stacking energy: -122.693
Base-Backbone interact. energy: -1.065
local terms energy: -333.136939
where:
bonds (distance) C4'-P energy: -111.785
bonds (distance) P-C4' energy: -96.238
flat angles C4'-P-C4' energy: -85.509
flat angles P-C4'-P energy: -49.533
tors. eta vs tors. theta energy: 9.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1927.892969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.892969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.892969 (E_RNA)
where:
Base-Base interactions energy: -1309.658
where: short stacking energy: -554.212
Base-Backbone interact. energy: -1.479
local terms energy: -616.755996
where:
bonds (distance) C4'-P energy: -122.095
bonds (distance) P-C4' energy: -112.546
flat angles C4'-P-C4' energy: -135.334
flat angles P-C4'-P energy: -91.686
tors. eta vs tors. theta energy: -155.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1881.611244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.611244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.611244 (E_RNA)
where:
Base-Base interactions energy: -1304.831
where: short stacking energy: -550.315
Base-Backbone interact. energy: 0.420
local terms energy: -577.200390
where:
bonds (distance) C4'-P energy: -96.451
bonds (distance) P-C4' energy: -118.162
flat angles C4'-P-C4' energy: -133.966
flat angles P-C4'-P energy: -68.649
tors. eta vs tors. theta energy: -159.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1739.401620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.401620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.401620 (E_RNA)
where:
Base-Base interactions energy: -1143.819
where: short stacking energy: -511.790
Base-Backbone interact. energy: 0.700
local terms energy: -596.283131
where:
bonds (distance) C4'-P energy: -102.043
bonds (distance) P-C4' energy: -122.566
flat angles C4'-P-C4' energy: -139.003
flat angles P-C4'-P energy: -85.945
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: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1677.510747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.510747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.510747 (E_RNA)
where:
Base-Base interactions energy: -1131.264
where: short stacking energy: -481.473
Base-Backbone interact. energy: -4.131
local terms energy: -542.115760
where:
bonds (distance) C4'-P energy: -104.292
bonds (distance) P-C4' energy: -113.184
flat angles C4'-P-C4' energy: -116.812
flat angles P-C4'-P energy: -83.547
tors. eta vs tors. theta energy: -124.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1596.788813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.788813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.788813 (E_RNA)
where:
Base-Base interactions energy: -1050.026
where: short stacking energy: -430.289
Base-Backbone interact. energy: -1.149
local terms energy: -545.613318
where:
bonds (distance) C4'-P energy: -103.129
bonds (distance) P-C4' energy: -115.926
flat angles C4'-P-C4' energy: -122.997
flat angles P-C4'-P energy: -80.873
tors. eta vs tors. theta energy: -122.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1467.095116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.095116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.095116 (E_RNA)
where:
Base-Base interactions energy: -993.946
where: short stacking energy: -410.693
Base-Backbone interact. energy: 1.325
local terms energy: -474.473784
where:
bonds (distance) C4'-P energy: -96.046
bonds (distance) P-C4' energy: -97.546
flat angles C4'-P-C4' energy: -108.614
flat angles P-C4'-P energy: -72.708
tors. eta vs tors. theta energy: -99.559
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: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1298.483986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.483986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.483986 (E_RNA)
where:
Base-Base interactions energy: -818.181
where: short stacking energy: -382.557
Base-Backbone interact. energy: -0.749
local terms energy: -479.554852
where:
bonds (distance) C4'-P energy: -96.001
bonds (distance) P-C4' energy: -101.079
flat angles C4'-P-C4' energy: -113.907
flat angles P-C4'-P energy: -67.554
tors. eta vs tors. theta energy: -101.012
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: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -934.212490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.212490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.212490 (E_RNA)
where:
Base-Base interactions energy: -544.918
where: short stacking energy: -263.446
Base-Backbone interact. energy: -2.971
local terms energy: -386.322688
where:
bonds (distance) C4'-P energy: -72.602
bonds (distance) P-C4' energy: -113.391
flat angles C4'-P-C4' energy: -93.843
flat angles P-C4'-P energy: -68.764
tors. eta vs tors. theta energy: -37.722
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: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -513.661805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.661805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.661805 (E_RNA)
where:
Base-Base interactions energy: -223.581
where: short stacking energy: -150.885
Base-Backbone interact. energy: 4.510
local terms energy: -294.591416
where:
bonds (distance) C4'-P energy: -87.659
bonds (distance) P-C4' energy: -87.819
flat angles C4'-P-C4' energy: -84.805
flat angles P-C4'-P energy: -57.814
tors. eta vs tors. theta energy: 23.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -537.693583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.693583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.693583 (E_RNA)
where:
Base-Base interactions energy: -229.293
where: short stacking energy: -134.810
Base-Backbone interact. energy: -2.031
local terms energy: -306.368999
where:
bonds (distance) C4'-P energy: -96.959
bonds (distance) P-C4' energy: -103.715
flat angles C4'-P-C4' energy: -86.697
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: 22.486
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: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1953.431444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.431444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.431444 (E_RNA)
where:
Base-Base interactions energy: -1349.933
where: short stacking energy: -573.112
Base-Backbone interact. energy: -1.034
local terms energy: -602.465091
where:
bonds (distance) C4'-P energy: -106.049
bonds (distance) P-C4' energy: -116.631
flat angles C4'-P-C4' energy: -130.232
flat angles P-C4'-P energy: -82.203
tors. eta vs tors. theta energy: -167.351
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: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1869.851683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.851683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.851683 (E_RNA)
where:
Base-Base interactions energy: -1279.379
where: short stacking energy: -544.704
Base-Backbone interact. energy: 0.262
local terms energy: -590.735134
where:
bonds (distance) C4'-P energy: -113.951
bonds (distance) P-C4' energy: -117.764
flat angles C4'-P-C4' energy: -130.264
flat angles P-C4'-P energy: -78.819
tors. eta vs tors. theta energy: -149.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1688.303183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.303183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.303183 (E_RNA)
where:
Base-Base interactions energy: -1128.623
where: short stacking energy: -487.272
Base-Backbone interact. energy: 0.273
local terms energy: -559.952888
where:
bonds (distance) C4'-P energy: -119.247
bonds (distance) P-C4' energy: -105.213
flat angles C4'-P-C4' energy: -120.590
flat angles P-C4'-P energy: -90.602
tors. eta vs tors. theta energy: -124.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1665.845335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.845335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.845335 (E_RNA)
where:
Base-Base interactions energy: -1117.449
where: short stacking energy: -489.634
Base-Backbone interact. energy: -0.541
local terms energy: -547.854740
where:
bonds (distance) C4'-P energy: -114.567
bonds (distance) P-C4' energy: -111.118
flat angles C4'-P-C4' energy: -119.026
flat angles P-C4'-P energy: -75.223
tors. eta vs tors. theta energy: -127.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1617.742090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.742090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.742090 (E_RNA)
where:
Base-Base interactions energy: -1060.556
where: short stacking energy: -444.327
Base-Backbone interact. energy: -3.603
local terms energy: -553.583271
where:
bonds (distance) C4'-P energy: -110.350
bonds (distance) P-C4' energy: -109.936
flat angles C4'-P-C4' energy: -120.301
flat angles P-C4'-P energy: -84.677
tors. eta vs tors. theta energy: -128.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1430.991377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.991377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.991377 (E_RNA)
where:
Base-Base interactions energy: -965.003
where: short stacking energy: -402.049
Base-Backbone interact. energy: -1.352
local terms energy: -464.636965
where:
bonds (distance) C4'-P energy: -93.606
bonds (distance) P-C4' energy: -94.311
flat angles C4'-P-C4' energy: -110.659
flat angles P-C4'-P energy: -64.057
tors. eta vs tors. theta energy: -102.004
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: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1206.863241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.863241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.863241 (E_RNA)
where:
Base-Base interactions energy: -772.782
where: short stacking energy: -341.448
Base-Backbone interact. energy: 0.440
local terms energy: -434.521405
where:
bonds (distance) C4'-P energy: -86.580
bonds (distance) P-C4' energy: -103.039
flat angles C4'-P-C4' energy: -116.087
flat angles P-C4'-P energy: -48.671
tors. eta vs tors. theta energy: -80.145
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: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -900.346770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.346770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.346770 (E_RNA)
where:
Base-Base interactions energy: -523.874
where: short stacking energy: -262.399
Base-Backbone interact. energy: -2.052
local terms energy: -374.420539
where:
bonds (distance) C4'-P energy: -85.409
bonds (distance) P-C4' energy: -96.162
flat angles C4'-P-C4' energy: -96.337
flat angles P-C4'-P energy: -62.802
tors. eta vs tors. theta energy: -33.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -575.799616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.799616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.799616 (E_RNA)
where:
Base-Base interactions energy: -247.106
where: short stacking energy: -167.235
Base-Backbone interact. energy: 1.736
local terms energy: -330.429455
where:
bonds (distance) C4'-P energy: -96.539
bonds (distance) P-C4' energy: -93.039
flat angles C4'-P-C4' energy: -89.841
flat angles P-C4'-P energy: -53.104
tors. eta vs tors. theta energy: 2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -469.016189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.016189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.016189 (E_RNA)
where:
Base-Base interactions energy: -164.721
where: short stacking energy: -131.095
Base-Backbone interact. energy: 3.299
local terms energy: -307.594821
where:
bonds (distance) C4'-P energy: -97.962
bonds (distance) P-C4' energy: -94.894
flat angles C4'-P-C4' energy: -72.574
flat angles P-C4'-P energy: -55.910
tors. eta vs tors. theta energy: 13.746
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: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1972.775964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.775964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.775964 (E_RNA)
where:
Base-Base interactions energy: -1364.317
where: short stacking energy: -551.436
Base-Backbone interact. energy: 2.441
local terms energy: -610.899724
where:
bonds (distance) C4'-P energy: -111.670
bonds (distance) P-C4' energy: -116.514
flat angles C4'-P-C4' energy: -138.979
flat angles P-C4'-P energy: -82.758
tors. eta vs tors. theta energy: -160.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1835.394689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.394689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.394689 (E_RNA)
where:
Base-Base interactions energy: -1273.683
where: short stacking energy: -517.235
Base-Backbone interact. energy: -0.252
local terms energy: -561.459420
where:
bonds (distance) C4'-P energy: -113.053
bonds (distance) P-C4' energy: -102.133
flat angles C4'-P-C4' energy: -119.832
flat angles P-C4'-P energy: -83.554
tors. eta vs tors. theta energy: -142.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1689.053396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.053396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.053396 (E_RNA)
where:
Base-Base interactions energy: -1140.049
where: short stacking energy: -512.670
Base-Backbone interact. energy: -0.216
local terms energy: -548.788016
where:
bonds (distance) C4'-P energy: -112.459
bonds (distance) P-C4' energy: -115.255
flat angles C4'-P-C4' energy: -121.051
flat angles P-C4'-P energy: -70.436
tors. eta vs tors. theta energy: -129.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1664.429699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.429699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.429699 (E_RNA)
where:
Base-Base interactions energy: -1110.967
where: short stacking energy: -456.451
Base-Backbone interact. energy: -1.111
local terms energy: -552.350896
where:
bonds (distance) C4'-P energy: -97.047
bonds (distance) P-C4' energy: -117.583
flat angles C4'-P-C4' energy: -124.572
flat angles P-C4'-P energy: -93.485
tors. eta vs tors. theta energy: -119.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1597.975891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.975891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.975891 (E_RNA)
where:
Base-Base interactions energy: -1051.492
where: short stacking energy: -458.822
Base-Backbone interact. energy: 2.274
local terms energy: -548.757189
where:
bonds (distance) C4'-P energy: -104.834
bonds (distance) P-C4' energy: -126.743
flat angles C4'-P-C4' energy: -117.071
flat angles P-C4'-P energy: -68.888
tors. eta vs tors. theta energy: -131.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1460.911666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.911666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.911666 (E_RNA)
where:
Base-Base interactions energy: -972.741
where: short stacking energy: -419.986
Base-Backbone interact. energy: -0.294
local terms energy: -487.876186
where:
bonds (distance) C4'-P energy: -90.710
bonds (distance) P-C4' energy: -104.901
flat angles C4'-P-C4' energy: -111.764
flat angles P-C4'-P energy: -66.742
tors. eta vs tors. theta energy: -113.759
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: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1224.260450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.260450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.260450 (E_RNA)
where:
Base-Base interactions energy: -777.551
where: short stacking energy: -370.891
Base-Backbone interact. energy: 0.226
local terms energy: -446.935686
where:
bonds (distance) C4'-P energy: -89.175
bonds (distance) P-C4' energy: -91.221
flat angles C4'-P-C4' energy: -107.530
flat angles P-C4'-P energy: -81.697
tors. eta vs tors. theta energy: -77.313
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: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -900.257231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.257231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.257231 (E_RNA)
where:
Base-Base interactions energy: -523.761
where: short stacking energy: -236.295
Base-Backbone interact. energy: -0.466
local terms energy: -376.030137
where:
bonds (distance) C4'-P energy: -97.166
bonds (distance) P-C4' energy: -103.491
flat angles C4'-P-C4' energy: -87.398
flat angles P-C4'-P energy: -60.522
tors. eta vs tors. theta energy: -27.453
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: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -600.915591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.915591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.915591 (E_RNA)
where:
Base-Base interactions energy: -250.689
where: short stacking energy: -151.694
Base-Backbone interact. energy: -3.185
local terms energy: -347.041425
where:
bonds (distance) C4'-P energy: -102.523
bonds (distance) P-C4' energy: -109.333
flat angles C4'-P-C4' energy: -90.100
flat angles P-C4'-P energy: -56.188
tors. eta vs tors. theta energy: 11.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -449.524037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.524037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.524037 (E_RNA)
where:
Base-Base interactions energy: -156.391
where: short stacking energy: -125.960
Base-Backbone interact. energy: -5.533
local terms energy: -287.600000
where:
bonds (distance) C4'-P energy: -102.064
bonds (distance) P-C4' energy: -100.702
flat angles C4'-P-C4' energy: -74.242
flat angles P-C4'-P energy: -38.680
tors. eta vs tors. theta energy: 28.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1968.787116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.787116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.787116 (E_RNA)
where:
Base-Base interactions energy: -1329.867
where: short stacking energy: -565.464
Base-Backbone interact. energy: -2.151
local terms energy: -636.769673
where:
bonds (distance) C4'-P energy: -121.223
bonds (distance) P-C4' energy: -133.311
flat angles C4'-P-C4' energy: -138.491
flat angles P-C4'-P energy: -86.407
tors. eta vs tors. theta energy: -157.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1857.799915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.799915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.799915 (E_RNA)
where:
Base-Base interactions energy: -1293.385
where: short stacking energy: -549.889
Base-Backbone interact. energy: -1.477
local terms energy: -562.937572
where:
bonds (distance) C4'-P energy: -95.235
bonds (distance) P-C4' energy: -125.510
flat angles C4'-P-C4' energy: -112.085
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -157.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1734.726547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.726547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.726547 (E_RNA)
where:
Base-Base interactions energy: -1173.875
where: short stacking energy: -497.343
Base-Backbone interact. energy: -1.523
local terms energy: -559.327710
where:
bonds (distance) C4'-P energy: -116.223
bonds (distance) P-C4' energy: -108.833
flat angles C4'-P-C4' energy: -122.700
flat angles P-C4'-P energy: -80.893
tors. eta vs tors. theta energy: -130.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1649.512309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.512309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.512309 (E_RNA)
where:
Base-Base interactions energy: -1097.846
where: short stacking energy: -490.296
Base-Backbone interact. energy: 1.584
local terms energy: -553.250380
where:
bonds (distance) C4'-P energy: -114.639
bonds (distance) P-C4' energy: -102.841
flat angles C4'-P-C4' energy: -126.379
flat angles P-C4'-P energy: -82.195
tors. eta vs tors. theta energy: -127.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1567.203012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.203012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.203012 (E_RNA)
where:
Base-Base interactions energy: -1036.679
where: short stacking energy: -437.672
Base-Backbone interact. energy: -0.584
local terms energy: -529.939838
where:
bonds (distance) C4'-P energy: -105.624
bonds (distance) P-C4' energy: -104.830
flat angles C4'-P-C4' energy: -115.832
flat angles P-C4'-P energy: -74.417
tors. eta vs tors. theta energy: -129.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1461.641191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.641191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.641191 (E_RNA)
where:
Base-Base interactions energy: -976.455
where: short stacking energy: -408.286
Base-Backbone interact. energy: -2.745
local terms energy: -482.440522
where:
bonds (distance) C4'-P energy: -78.627
bonds (distance) P-C4' energy: -103.391
flat angles C4'-P-C4' energy: -111.683
flat angles P-C4'-P energy: -82.784
tors. eta vs tors. theta energy: -105.955
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: 80
Temperature: 1.200000
Total energy: -1242.863397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.863397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.863397 (E_RNA)
where:
Base-Base interactions energy: -802.402
where: short stacking energy: -347.902
Base-Backbone interact. energy: -1.537
local terms energy: -438.924730
where:
bonds (distance) C4'-P energy: -91.777
bonds (distance) P-C4' energy: -93.958
flat angles C4'-P-C4' energy: -102.962
flat angles P-C4'-P energy: -74.034
tors. eta vs tors. theta energy: -76.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -947.026814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.026814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.026814 (E_RNA)
where:
Base-Base interactions energy: -527.533
where: short stacking energy: -284.574
Base-Backbone interact. energy: 3.542
local terms energy: -423.035254
where:
bonds (distance) C4'-P energy: -103.720
bonds (distance) P-C4' energy: -100.005
flat angles C4'-P-C4' energy: -94.174
flat angles P-C4'-P energy: -67.390
tors. eta vs tors. theta energy: -57.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -590.073272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.073272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.073272 (E_RNA)
where:
Base-Base interactions energy: -264.796
where: short stacking energy: -174.076
Base-Backbone interact. energy: -2.729
local terms energy: -322.548187
where:
bonds (distance) C4'-P energy: -103.242
bonds (distance) P-C4' energy: -99.205
flat angles C4'-P-C4' energy: -81.260
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: 11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -558.251378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.251378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.251378 (E_RNA)
where:
Base-Base interactions energy: -227.787
where: short stacking energy: -158.506
Base-Backbone interact. energy: -0.845
local terms energy: -329.619073
where:
bonds (distance) C4'-P energy: -96.009
bonds (distance) P-C4' energy: -103.197
flat angles C4'-P-C4' energy: -80.878
flat angles P-C4'-P energy: -47.542
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1940.684880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.684880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.684880 (E_RNA)
where:
Base-Base interactions energy: -1325.037
where: short stacking energy: -552.537
Base-Backbone interact. energy: -0.682
local terms energy: -614.965661
where:
bonds (distance) C4'-P energy: -116.550
bonds (distance) P-C4' energy: -115.181
flat angles C4'-P-C4' energy: -129.963
flat angles P-C4'-P energy: -94.368
tors. eta vs tors. theta energy: -158.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1877.528927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.528927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.528927 (E_RNA)
where:
Base-Base interactions energy: -1291.554
where: short stacking energy: -521.610
Base-Backbone interact. energy: -1.843
local terms energy: -584.131895
where:
bonds (distance) C4'-P energy: -110.981
bonds (distance) P-C4' energy: -127.925
flat angles C4'-P-C4' energy: -123.367
flat angles P-C4'-P energy: -67.708
tors. eta vs tors. theta energy: -154.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1745.386932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.386932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.386932 (E_RNA)
where:
Base-Base interactions energy: -1169.931
where: short stacking energy: -512.351
Base-Backbone interact. energy: -2.996
local terms energy: -572.459735
where:
bonds (distance) C4'-P energy: -114.633
bonds (distance) P-C4' energy: -107.279
flat angles C4'-P-C4' energy: -128.375
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: -141.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1604.741237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.741237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.741237 (E_RNA)
where:
Base-Base interactions energy: -1073.241
where: short stacking energy: -448.031
Base-Backbone interact. energy: -2.335
local terms energy: -529.165709
where:
bonds (distance) C4'-P energy: -101.357
bonds (distance) P-C4' energy: -106.911
flat angles C4'-P-C4' energy: -122.463
flat angles P-C4'-P energy: -80.099
tors. eta vs tors. theta energy: -118.336
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: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1539.496319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.496319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.496319 (E_RNA)
where:
Base-Base interactions energy: -1006.941
where: short stacking energy: -427.956
Base-Backbone interact. energy: -2.895
local terms energy: -529.659821
where:
bonds (distance) C4'-P energy: -104.440
bonds (distance) P-C4' energy: -104.841
flat angles C4'-P-C4' energy: -119.584
flat angles P-C4'-P energy: -81.451
tors. eta vs tors. theta energy: -119.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1545.973222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.973222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.973222 (E_RNA)
where:
Base-Base interactions energy: -1016.472
where: short stacking energy: -444.215
Base-Backbone interact. energy: -0.882
local terms energy: -528.619017
where:
bonds (distance) C4'-P energy: -107.322
bonds (distance) P-C4' energy: -109.368
flat angles C4'-P-C4' energy: -117.446
flat angles P-C4'-P energy: -71.823
tors. eta vs tors. theta energy: -122.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1239.269241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.269241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.269241 (E_RNA)
where:
Base-Base interactions energy: -812.539
where: short stacking energy: -363.898
Base-Backbone interact. energy: -2.379
local terms energy: -424.351580
where:
bonds (distance) C4'-P energy: -99.735
bonds (distance) P-C4' energy: -86.502
flat angles C4'-P-C4' energy: -94.758
flat angles P-C4'-P energy: -62.293
tors. eta vs tors. theta energy: -81.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -871.322520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.322520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.322520 (E_RNA)
where:
Base-Base interactions energy: -493.615
where: short stacking energy: -259.356
Base-Backbone interact. energy: -2.240
local terms energy: -375.467622
where:
bonds (distance) C4'-P energy: -104.357
bonds (distance) P-C4' energy: -99.665
flat angles C4'-P-C4' energy: -94.226
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -23.443
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: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -567.897592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.897592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.897592 (E_RNA)
where:
Base-Base interactions energy: -268.453
where: short stacking energy: -168.534
Base-Backbone interact. energy: 0.269
local terms energy: -299.713623
where:
bonds (distance) C4'-P energy: -93.444
bonds (distance) P-C4' energy: -86.342
flat angles C4'-P-C4' energy: -78.210
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -487.315037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.315037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.315037 (E_RNA)
where:
Base-Base interactions energy: -179.505
where: short stacking energy: -152.156
Base-Backbone interact. energy: -0.899
local terms energy: -306.910731
where:
bonds (distance) C4'-P energy: -90.128
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -77.490
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: 6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1944.118780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.118780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.118780 (E_RNA)
where:
Base-Base interactions energy: -1347.935
where: short stacking energy: -556.924
Base-Backbone interact. energy: -0.419
local terms energy: -595.765326
where:
bonds (distance) C4'-P energy: -120.315
bonds (distance) P-C4' energy: -106.812
flat angles C4'-P-C4' energy: -127.161
flat angles P-C4'-P energy: -93.791
tors. eta vs tors. theta energy: -147.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1875.877740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.877740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.877740 (E_RNA)
where:
Base-Base interactions energy: -1323.830
where: short stacking energy: -546.140
Base-Backbone interact. energy: 0.342
local terms energy: -552.390430
where:
bonds (distance) C4'-P energy: -102.773
bonds (distance) P-C4' energy: -98.367
flat angles C4'-P-C4' energy: -119.135
flat angles P-C4'-P energy: -88.181
tors. eta vs tors. theta energy: -143.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1750.275676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.275676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.275676 (E_RNA)
where:
Base-Base interactions energy: -1198.042
where: short stacking energy: -522.476
Base-Backbone interact. energy: -2.416
local terms energy: -549.817931
where:
bonds (distance) C4'-P energy: -110.575
bonds (distance) P-C4' energy: -116.257
flat angles C4'-P-C4' energy: -121.172
flat angles P-C4'-P energy: -67.828
tors. eta vs tors. theta energy: -133.986
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: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1641.329529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.329529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.329529 (E_RNA)
where:
Base-Base interactions energy: -1100.190
where: short stacking energy: -475.696
Base-Backbone interact. energy: -0.498
local terms energy: -540.641737
where:
bonds (distance) C4'-P energy: -101.168
bonds (distance) P-C4' energy: -108.380
flat angles C4'-P-C4' energy: -124.771
flat angles P-C4'-P energy: -73.578
tors. eta vs tors. theta energy: -132.746
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: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1594.931054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.931054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.931054 (E_RNA)
where:
Base-Base interactions energy: -1055.976
where: short stacking energy: -439.450
Base-Backbone interact. energy: 0.344
local terms energy: -539.299520
where:
bonds (distance) C4'-P energy: -112.144
bonds (distance) P-C4' energy: -108.991
flat angles C4'-P-C4' energy: -119.610
flat angles P-C4'-P energy: -67.384
tors. eta vs tors. theta energy: -131.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1489.246647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.246647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.246647 (E_RNA)
where:
Base-Base interactions energy: -983.389
where: short stacking energy: -401.061
Base-Backbone interact. energy: -1.795
local terms energy: -504.062919
where:
bonds (distance) C4'-P energy: -111.850
bonds (distance) P-C4' energy: -103.706
flat angles C4'-P-C4' energy: -104.090
flat angles P-C4'-P energy: -84.195
tors. eta vs tors. theta energy: -100.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1223.451228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.451228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.451228 (E_RNA)
where:
Base-Base interactions energy: -751.809
where: short stacking energy: -353.743
Base-Backbone interact. energy: -3.044
local terms energy: -468.597655
where:
bonds (distance) C4'-P energy: -104.130
bonds (distance) P-C4' energy: -103.121
flat angles C4'-P-C4' energy: -116.791
flat angles P-C4'-P energy: -67.561
tors. eta vs tors. theta energy: -76.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -866.582958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.582958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.582958 (E_RNA)
where:
Base-Base interactions energy: -477.387
where: short stacking energy: -231.929
Base-Backbone interact. energy: -2.247
local terms energy: -386.948598
where:
bonds (distance) C4'-P energy: -101.202
bonds (distance) P-C4' energy: -108.077
flat angles C4'-P-C4' energy: -93.683
flat angles P-C4'-P energy: -56.656
tors. eta vs tors. theta energy: -27.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -529.553954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.553954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.553954 (E_RNA)
where:
Base-Base interactions energy: -214.783
where: short stacking energy: -176.345
Base-Backbone interact. energy: -2.718
local terms energy: -312.052855
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -90.247
flat angles C4'-P-C4' energy: -87.590
flat angles P-C4'-P energy: -39.121
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -523.333896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.333896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.333896 (E_RNA)
where:
Base-Base interactions energy: -243.249
where: short stacking energy: -155.849
Base-Backbone interact. energy: 0.336
local terms energy: -280.421089
where:
bonds (distance) C4'-P energy: -89.413
bonds (distance) P-C4' energy: -93.101
flat angles C4'-P-C4' energy: -64.426
flat angles P-C4'-P energy: -46.248
tors. eta vs tors. theta energy: 12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1986.204195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.204195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.204195 (E_RNA)
where:
Base-Base interactions energy: -1372.507
where: short stacking energy: -571.440
Base-Backbone interact. energy: 0.645
local terms energy: -614.342282
where:
bonds (distance) C4'-P energy: -114.354
bonds (distance) P-C4' energy: -113.572
flat angles C4'-P-C4' energy: -119.980
flat angles P-C4'-P energy: -98.225
tors. eta vs tors. theta energy: -168.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1861.681855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.681855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.681855 (E_RNA)
where:
Base-Base interactions energy: -1289.020
where: short stacking energy: -515.122
Base-Backbone interact. energy: -0.989
local terms energy: -571.673176
where:
bonds (distance) C4'-P energy: -104.276
bonds (distance) P-C4' energy: -120.663
flat angles C4'-P-C4' energy: -121.868
flat angles P-C4'-P energy: -73.696
tors. eta vs tors. theta energy: -151.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1736.394738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.394738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.394738 (E_RNA)
where:
Base-Base interactions energy: -1180.040
where: short stacking energy: -509.096
Base-Backbone interact. energy: -0.753
local terms energy: -555.601546
where:
bonds (distance) C4'-P energy: -95.678
bonds (distance) P-C4' energy: -111.484
flat angles C4'-P-C4' energy: -127.948
flat angles P-C4'-P energy: -87.448
tors. eta vs tors. theta energy: -133.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1651.298530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.298530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.298530 (E_RNA)
where:
Base-Base interactions energy: -1088.575
where: short stacking energy: -479.492
Base-Backbone interact. energy: 1.621
local terms energy: -564.344577
where:
bonds (distance) C4'-P energy: -99.356
bonds (distance) P-C4' energy: -108.572
flat angles C4'-P-C4' energy: -132.297
flat angles P-C4'-P energy: -87.225
tors. eta vs tors. theta energy: -136.895
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: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1521.938353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.938353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.938353 (E_RNA)
where:
Base-Base interactions energy: -1050.734
where: short stacking energy: -443.814
Base-Backbone interact. energy: 3.443
local terms energy: -474.648062
where:
bonds (distance) C4'-P energy: -95.101
bonds (distance) P-C4' energy: -108.600
flat angles C4'-P-C4' energy: -109.124
flat angles P-C4'-P energy: -63.688
tors. eta vs tors. theta energy: -98.135
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: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1484.033884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.033884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.033884 (E_RNA)
where:
Base-Base interactions energy: -1000.720
where: short stacking energy: -407.935
Base-Backbone interact. energy: -0.831
local terms energy: -482.482655
where:
bonds (distance) C4'-P energy: -91.376
bonds (distance) P-C4' energy: -106.401
flat angles C4'-P-C4' energy: -106.479
flat angles P-C4'-P energy: -65.876
tors. eta vs tors. theta energy: -112.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1178.486198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.486198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.486198 (E_RNA)
where:
Base-Base interactions energy: -747.189
where: short stacking energy: -318.054
Base-Backbone interact. energy: -2.019
local terms energy: -429.277949
where:
bonds (distance) C4'-P energy: -90.846
bonds (distance) P-C4' energy: -110.911
flat angles C4'-P-C4' energy: -102.568
flat angles P-C4'-P energy: -59.085
tors. eta vs tors. theta energy: -65.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -856.118445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.118445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.118445 (E_RNA)
where:
Base-Base interactions energy: -480.048
where: short stacking energy: -236.224
Base-Backbone interact. energy: -4.164
local terms energy: -371.906001
where:
bonds (distance) C4'-P energy: -98.809
bonds (distance) P-C4' energy: -90.093
flat angles C4'-P-C4' energy: -99.945
flat angles P-C4'-P energy: -59.968
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -501.136183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.136183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.136183 (E_RNA)
where:
Base-Base interactions energy: -143.140
where: short stacking energy: -121.834
Base-Backbone interact. energy: 2.572
local terms energy: -360.567845
where:
bonds (distance) C4'-P energy: -105.567
bonds (distance) P-C4' energy: -96.908
flat angles C4'-P-C4' energy: -99.807
flat angles P-C4'-P energy: -74.651
tors. eta vs tors. theta energy: 16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -540.025345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.025345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.025345 (E_RNA)
where:
Base-Base interactions energy: -225.628
where: short stacking energy: -164.002
Base-Backbone interact. energy: 1.048
local terms energy: -315.444965
where:
bonds (distance) C4'-P energy: -95.962
bonds (distance) P-C4' energy: -94.667
flat angles C4'-P-C4' energy: -79.603
flat angles P-C4'-P energy: -54.344
tors. eta vs tors. theta energy: 9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1960.349787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.349787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.349787 (E_RNA)
where:
Base-Base interactions energy: -1346.648
where: short stacking energy: -577.245
Base-Backbone interact. energy: 0.630
local terms energy: -614.331738
where:
bonds (distance) C4'-P energy: -115.475
bonds (distance) P-C4' energy: -112.053
flat angles C4'-P-C4' energy: -131.472
flat angles P-C4'-P energy: -91.374
tors. eta vs tors. theta energy: -163.957
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: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1899.518204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.518204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.518204 (E_RNA)
where:
Base-Base interactions energy: -1314.794
where: short stacking energy: -547.304
Base-Backbone interact. energy: -0.880
local terms energy: -583.844116
where:
bonds (distance) C4'-P energy: -119.427
bonds (distance) P-C4' energy: -114.044
flat angles C4'-P-C4' energy: -122.119
flat angles P-C4'-P energy: -69.112
tors. eta vs tors. theta energy: -159.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1706.333134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.333134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.333134 (E_RNA)
where:
Base-Base interactions energy: -1162.469
where: short stacking energy: -490.427
Base-Backbone interact. energy: -4.728
local terms energy: -539.135447
where:
bonds (distance) C4'-P energy: -105.199
bonds (distance) P-C4' energy: -112.556
flat angles C4'-P-C4' energy: -117.758
flat angles P-C4'-P energy: -72.352
tors. eta vs tors. theta energy: -131.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1628.115918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.115918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.115918 (E_RNA)
where:
Base-Base interactions energy: -1111.556
where: short stacking energy: -475.807
Base-Backbone interact. energy: -0.132
local terms energy: -516.428527
where:
bonds (distance) C4'-P energy: -108.349
bonds (distance) P-C4' energy: -81.783
flat angles C4'-P-C4' energy: -118.238
flat angles P-C4'-P energy: -81.330
tors. eta vs tors. theta energy: -126.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1571.579956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.579956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.579956 (E_RNA)
where:
Base-Base interactions energy: -1046.542
where: short stacking energy: -446.127
Base-Backbone interact. energy: -1.624
local terms energy: -523.414012
where:
bonds (distance) C4'-P energy: -113.728
bonds (distance) P-C4' energy: -104.990
flat angles C4'-P-C4' energy: -111.663
flat angles P-C4'-P energy: -76.803
tors. eta vs tors. theta energy: -116.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1469.031922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.031922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.031922 (E_RNA)
where:
Base-Base interactions energy: -963.733
where: short stacking energy: -407.295
Base-Backbone interact. energy: 0.259
local terms energy: -505.557648
where:
bonds (distance) C4'-P energy: -111.951
bonds (distance) P-C4' energy: -109.208
flat angles C4'-P-C4' energy: -119.382
flat angles P-C4'-P energy: -68.265
tors. eta vs tors. theta energy: -96.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1179.816797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.816797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.816797 (E_RNA)
where:
Base-Base interactions energy: -761.410
where: short stacking energy: -330.787
Base-Backbone interact. energy: -1.947
local terms energy: -416.459846
where:
bonds (distance) C4'-P energy: -100.976
bonds (distance) P-C4' energy: -73.689
flat angles C4'-P-C4' energy: -112.354
flat angles P-C4'-P energy: -57.864
tors. eta vs tors. theta energy: -71.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -788.979377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.979377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.979377 (E_RNA)
where:
Base-Base interactions energy: -431.788
where: short stacking energy: -234.258
Base-Backbone interact. energy: 5.483
local terms energy: -362.673756
where:
bonds (distance) C4'-P energy: -85.254
bonds (distance) P-C4' energy: -107.585
flat angles C4'-P-C4' energy: -93.587
flat angles P-C4'-P energy: -55.901
tors. eta vs tors. theta energy: -20.347
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: 84
Temperature: 1.300000
Total energy: -552.640501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.640501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.640501 (E_RNA)
where:
Base-Base interactions energy: -263.535
where: short stacking energy: -168.579
Base-Backbone interact. energy: 2.057
local terms energy: -291.162439
where:
bonds (distance) C4'-P energy: -106.574
bonds (distance) P-C4' energy: -68.749
flat angles C4'-P-C4' energy: -88.319
flat angles P-C4'-P energy: -39.723
tors. eta vs tors. theta energy: 12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -510.902682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.902682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.902682 (E_RNA)
where:
Base-Base interactions energy: -206.710
where: short stacking energy: -151.949
Base-Backbone interact. energy: -0.422
local terms energy: -303.770781
where:
bonds (distance) C4'-P energy: -78.285
bonds (distance) P-C4' energy: -85.838
flat angles C4'-P-C4' energy: -84.143
flat angles P-C4'-P energy: -58.918
tors. eta vs tors. theta energy: 3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1949.662820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.662820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.662820 (E_RNA)
where:
Base-Base interactions energy: -1337.456
where: short stacking energy: -567.168
Base-Backbone interact. energy: -0.439
local terms energy: -611.767346
where:
bonds (distance) C4'-P energy: -123.740
bonds (distance) P-C4' energy: -109.065
flat angles C4'-P-C4' energy: -136.237
flat angles P-C4'-P energy: -81.606
tors. eta vs tors. theta energy: -161.119
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: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1882.506005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.506005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.506005 (E_RNA)
where:
Base-Base interactions energy: -1295.689
where: short stacking energy: -549.390
Base-Backbone interact. energy: 3.623
local terms energy: -590.440509
where:
bonds (distance) C4'-P energy: -118.284
bonds (distance) P-C4' energy: -111.419
flat angles C4'-P-C4' energy: -124.540
flat angles P-C4'-P energy: -85.788
tors. eta vs tors. theta energy: -150.409
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: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1729.004777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.004777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.004777 (E_RNA)
where:
Base-Base interactions energy: -1178.477
where: short stacking energy: -502.719
Base-Backbone interact. energy: -4.668
local terms energy: -545.859661
where:
bonds (distance) C4'-P energy: -109.935
bonds (distance) P-C4' energy: -103.306
flat angles C4'-P-C4' energy: -121.599
flat angles P-C4'-P energy: -74.291
tors. eta vs tors. theta energy: -136.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1627.106085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.106085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.106085 (E_RNA)
where:
Base-Base interactions energy: -1088.212
where: short stacking energy: -484.752
Base-Backbone interact. energy: -1.772
local terms energy: -537.121883
where:
bonds (distance) C4'-P energy: -111.002
bonds (distance) P-C4' energy: -108.004
flat angles C4'-P-C4' energy: -116.046
flat angles P-C4'-P energy: -66.110
tors. eta vs tors. theta energy: -135.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1571.794841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.794841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.794841 (E_RNA)
where:
Base-Base interactions energy: -1041.937
where: short stacking energy: -447.417
Base-Backbone interact. energy: -1.742
local terms energy: -528.115124
where:
bonds (distance) C4'-P energy: -108.972
bonds (distance) P-C4' energy: -92.110
flat angles C4'-P-C4' energy: -127.499
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -122.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1438.493508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.493508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.493508 (E_RNA)
where:
Base-Base interactions energy: -946.219
where: short stacking energy: -430.420
Base-Backbone interact. energy: -1.243
local terms energy: -491.031902
where:
bonds (distance) C4'-P energy: -99.173
bonds (distance) P-C4' energy: -105.625
flat angles C4'-P-C4' energy: -116.628
flat angles P-C4'-P energy: -52.997
tors. eta vs tors. theta energy: -116.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1196.815144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.815144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.815144 (E_RNA)
where:
Base-Base interactions energy: -762.703
where: short stacking energy: -326.785
Base-Backbone interact. energy: 0.401
local terms energy: -434.512949
where:
bonds (distance) C4'-P energy: -97.144
bonds (distance) P-C4' energy: -103.513
flat angles C4'-P-C4' energy: -97.760
flat angles P-C4'-P energy: -60.960
tors. eta vs tors. theta energy: -75.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -800.235240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.235240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.235240 (E_RNA)
where:
Base-Base interactions energy: -438.379
where: short stacking energy: -225.346
Base-Backbone interact. energy: -1.463
local terms energy: -360.393147
where:
bonds (distance) C4'-P energy: -72.083
bonds (distance) P-C4' energy: -105.907
flat angles C4'-P-C4' energy: -102.721
flat angles P-C4'-P energy: -50.684
tors. eta vs tors. theta energy: -28.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -608.677172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.677172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.677172 (E_RNA)
where:
Base-Base interactions energy: -283.346
where: short stacking energy: -186.034
Base-Backbone interact. energy: -1.498
local terms energy: -323.832554
where:
bonds (distance) C4'-P energy: -104.951
bonds (distance) P-C4' energy: -107.130
flat angles C4'-P-C4' energy: -69.184
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: 4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -459.328192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.328192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.328192 (E_RNA)
where:
Base-Base interactions energy: -160.860
where: short stacking energy: -117.570
Base-Backbone interact. energy: 1.290
local terms energy: -299.758168
where:
bonds (distance) C4'-P energy: -96.610
bonds (distance) P-C4' energy: -89.063
flat angles C4'-P-C4' energy: -83.532
flat angles P-C4'-P energy: -49.404
tors. eta vs tors. theta energy: 18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1965.653166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.653166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.653166 (E_RNA)
where:
Base-Base interactions energy: -1353.917
where: short stacking energy: -559.226
Base-Backbone interact. energy: -5.141
local terms energy: -606.594662
where:
bonds (distance) C4'-P energy: -102.876
bonds (distance) P-C4' energy: -116.521
flat angles C4'-P-C4' energy: -132.395
flat angles P-C4'-P energy: -87.014
tors. eta vs tors. theta energy: -167.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1881.697562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.697562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.697562 (E_RNA)
where:
Base-Base interactions energy: -1328.338
where: short stacking energy: -556.222
Base-Backbone interact. energy: 0.357
local terms energy: -553.716530
where:
bonds (distance) C4'-P energy: -104.009
bonds (distance) P-C4' energy: -101.133
flat angles C4'-P-C4' energy: -126.945
flat angles P-C4'-P energy: -73.045
tors. eta vs tors. theta energy: -148.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1738.808657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.808657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.808657 (E_RNA)
where:
Base-Base interactions energy: -1205.065
where: short stacking energy: -509.332
Base-Backbone interact. energy: -2.489
local terms energy: -531.255074
where:
bonds (distance) C4'-P energy: -104.936
bonds (distance) P-C4' energy: -108.325
flat angles C4'-P-C4' energy: -109.793
flat angles P-C4'-P energy: -76.015
tors. eta vs tors. theta energy: -132.186
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: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1624.554458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.554458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.554458 (E_RNA)
where:
Base-Base interactions energy: -1079.206
where: short stacking energy: -462.997
Base-Backbone interact. energy: -3.962
local terms energy: -541.386515
where:
bonds (distance) C4'-P energy: -114.450
bonds (distance) P-C4' energy: -108.827
flat angles C4'-P-C4' energy: -115.562
flat angles P-C4'-P energy: -76.907
tors. eta vs tors. theta energy: -125.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1535.195922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.195922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.195922 (E_RNA)
where:
Base-Base interactions energy: -1002.722
where: short stacking energy: -435.413
Base-Backbone interact. energy: -3.079
local terms energy: -529.395162
where:
bonds (distance) C4'-P energy: -102.890
bonds (distance) P-C4' energy: -104.549
flat angles C4'-P-C4' energy: -122.387
flat angles P-C4'-P energy: -76.406
tors. eta vs tors. theta energy: -123.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1475.601152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.601152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.601152 (E_RNA)
where:
Base-Base interactions energy: -988.548
where: short stacking energy: -420.777
Base-Backbone interact. energy: -0.266
local terms energy: -486.787932
where:
bonds (distance) C4'-P energy: -89.976
bonds (distance) P-C4' energy: -106.675
flat angles C4'-P-C4' energy: -113.813
flat angles P-C4'-P energy: -66.839
tors. eta vs tors. theta energy: -109.485
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: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1215.205466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.205466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.205466 (E_RNA)
where:
Base-Base interactions energy: -791.403
where: short stacking energy: -326.649
Base-Backbone interact. energy: 2.884
local terms energy: -426.686783
where:
bonds (distance) C4'-P energy: -92.399
bonds (distance) P-C4' energy: -116.370
flat angles C4'-P-C4' energy: -99.094
flat angles P-C4'-P energy: -50.922
tors. eta vs tors. theta energy: -67.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -778.131174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.131174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.131174 (E_RNA)
where:
Base-Base interactions energy: -410.817
where: short stacking energy: -207.600
Base-Backbone interact. energy: 6.658
local terms energy: -373.972346
where:
bonds (distance) C4'-P energy: -110.143
bonds (distance) P-C4' energy: -96.777
flat angles C4'-P-C4' energy: -92.008
flat angles P-C4'-P energy: -63.052
tors. eta vs tors. theta energy: -11.993
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: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -643.497901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.497901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.497901 (E_RNA)
where:
Base-Base interactions energy: -278.370
where: short stacking energy: -185.975
Base-Backbone interact. energy: 1.491
local terms energy: -366.619493
where:
bonds (distance) C4'-P energy: -94.168
bonds (distance) P-C4' energy: -125.155
flat angles C4'-P-C4' energy: -83.352
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -22.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -439.867704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.867704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.867704 (E_RNA)
where:
Base-Base interactions energy: -148.211
where: short stacking energy: -119.476
Base-Backbone interact. energy: -0.011
local terms energy: -291.645387
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -105.379
flat angles C4'-P-C4' energy: -82.951
flat angles P-C4'-P energy: -31.305
tors. eta vs tors. theta energy: 23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1969.621629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.621629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.621629 (E_RNA)
where:
Base-Base interactions energy: -1331.790
where: short stacking energy: -548.418
Base-Backbone interact. energy: 1.821
local terms energy: -639.652129
where:
bonds (distance) C4'-P energy: -122.941
bonds (distance) P-C4' energy: -120.116
flat angles C4'-P-C4' energy: -131.289
flat angles P-C4'-P energy: -91.159
tors. eta vs tors. theta energy: -174.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1915.117004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.117004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.117004 (E_RNA)
where:
Base-Base interactions energy: -1311.224
where: short stacking energy: -553.098
Base-Backbone interact. energy: -2.017
local terms energy: -601.875237
where:
bonds (distance) C4'-P energy: -116.505
bonds (distance) P-C4' energy: -110.351
flat angles C4'-P-C4' energy: -127.323
flat angles P-C4'-P energy: -93.016
tors. eta vs tors. theta energy: -154.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1742.353211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.353211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.353211 (E_RNA)
where:
Base-Base interactions energy: -1178.958
where: short stacking energy: -504.432
Base-Backbone interact. energy: -4.292
local terms energy: -559.103403
where:
bonds (distance) C4'-P energy: -109.776
bonds (distance) P-C4' energy: -114.962
flat angles C4'-P-C4' energy: -127.004
flat angles P-C4'-P energy: -79.309
tors. eta vs tors. theta energy: -128.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1626.910250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.910250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.910250 (E_RNA)
where:
Base-Base interactions energy: -1078.901
where: short stacking energy: -463.836
Base-Backbone interact. energy: -2.605
local terms energy: -545.404166
where:
bonds (distance) C4'-P energy: -107.671
bonds (distance) P-C4' energy: -111.973
flat angles C4'-P-C4' energy: -117.137
flat angles P-C4'-P energy: -75.563
tors. eta vs tors. theta energy: -133.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1544.756894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.756894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.756894 (E_RNA)
where:
Base-Base interactions energy: -1009.109
where: short stacking energy: -456.116
Base-Backbone interact. energy: 2.567
local terms energy: -538.215213
where:
bonds (distance) C4'-P energy: -107.952
bonds (distance) P-C4' energy: -116.522
flat angles C4'-P-C4' energy: -114.474
flat angles P-C4'-P energy: -80.444
tors. eta vs tors. theta energy: -118.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1446.066118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.066118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.066118 (E_RNA)
where:
Base-Base interactions energy: -980.343
where: short stacking energy: -432.704
Base-Backbone interact. energy: -0.492
local terms energy: -465.231512
where:
bonds (distance) C4'-P energy: -83.690
bonds (distance) P-C4' energy: -101.042
flat angles C4'-P-C4' energy: -105.966
flat angles P-C4'-P energy: -65.972
tors. eta vs tors. theta energy: -108.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1249.441107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.441107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.441107 (E_RNA)
where:
Base-Base interactions energy: -790.282
where: short stacking energy: -362.705
Base-Backbone interact. energy: -0.828
local terms energy: -458.330738
where:
bonds (distance) C4'-P energy: -100.565
bonds (distance) P-C4' energy: -97.466
flat angles C4'-P-C4' energy: -109.491
flat angles P-C4'-P energy: -63.772
tors. eta vs tors. theta energy: -87.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -798.739404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.739404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.739404 (E_RNA)
where:
Base-Base interactions energy: -417.063
where: short stacking energy: -192.775
Base-Backbone interact. energy: 1.088
local terms energy: -382.764088
where:
bonds (distance) C4'-P energy: -101.335
bonds (distance) P-C4' energy: -115.578
flat angles C4'-P-C4' energy: -102.081
flat angles P-C4'-P energy: -48.331
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -625.946066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.946066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.946066 (E_RNA)
where:
Base-Base interactions energy: -275.999
where: short stacking energy: -178.375
Base-Backbone interact. energy: 0.820
local terms energy: -350.767225
where:
bonds (distance) C4'-P energy: -104.225
bonds (distance) P-C4' energy: -103.434
flat angles C4'-P-C4' energy: -97.293
flat angles P-C4'-P energy: -54.645
tors. eta vs tors. theta energy: 8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -535.518563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.518563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.518563 (E_RNA)
where:
Base-Base interactions energy: -235.410
where: short stacking energy: -160.995
Base-Backbone interact. energy: -4.626
local terms energy: -295.483054
where:
bonds (distance) C4'-P energy: -63.501
bonds (distance) P-C4' energy: -116.989
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: 10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1976.233449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.233449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.233449 (E_RNA)
where:
Base-Base interactions energy: -1360.881
where: short stacking energy: -550.875
Base-Backbone interact. energy: -1.971
local terms energy: -613.381477
where:
bonds (distance) C4'-P energy: -105.946
bonds (distance) P-C4' energy: -133.746
flat angles C4'-P-C4' energy: -130.413
flat angles P-C4'-P energy: -90.205
tors. eta vs tors. theta energy: -153.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1897.850525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.850525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.850525 (E_RNA)
where:
Base-Base interactions energy: -1304.068
where: short stacking energy: -520.408
Base-Backbone interact. energy: -0.191
local terms energy: -593.591530
where:
bonds (distance) C4'-P energy: -102.591
bonds (distance) P-C4' energy: -124.181
flat angles C4'-P-C4' energy: -123.179
flat angles P-C4'-P energy: -92.557
tors. eta vs tors. theta energy: -151.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1740.686876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.686876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.686876 (E_RNA)
where:
Base-Base interactions energy: -1187.120
where: short stacking energy: -520.015
Base-Backbone interact. energy: -3.599
local terms energy: -549.967816
where:
bonds (distance) C4'-P energy: -105.099
bonds (distance) P-C4' energy: -115.838
flat angles C4'-P-C4' energy: -114.925
flat angles P-C4'-P energy: -80.120
tors. eta vs tors. theta energy: -133.985
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: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1673.011250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.011250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.011250 (E_RNA)
where:
Base-Base interactions energy: -1127.623
where: short stacking energy: -481.644
Base-Backbone interact. energy: 0.323
local terms energy: -545.711227
where:
bonds (distance) C4'-P energy: -115.796
bonds (distance) P-C4' energy: -103.226
flat angles C4'-P-C4' energy: -121.044
flat angles P-C4'-P energy: -71.068
tors. eta vs tors. theta energy: -134.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1564.245840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.245840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.245840 (E_RNA)
where:
Base-Base interactions energy: -1021.972
where: short stacking energy: -454.784
Base-Backbone interact. energy: -2.565
local terms energy: -539.708598
where:
bonds (distance) C4'-P energy: -94.632
bonds (distance) P-C4' energy: -117.613
flat angles C4'-P-C4' energy: -124.436
flat angles P-C4'-P energy: -71.244
tors. eta vs tors. theta energy: -131.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1452.055317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.055317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.055317 (E_RNA)
where:
Base-Base interactions energy: -973.851
where: short stacking energy: -428.918
Base-Backbone interact. energy: 0.535
local terms energy: -478.739871
where:
bonds (distance) C4'-P energy: -89.320
bonds (distance) P-C4' energy: -110.584
flat angles C4'-P-C4' energy: -101.632
flat angles P-C4'-P energy: -60.697
tors. eta vs tors. theta energy: -116.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1267.489924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.489924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.489924 (E_RNA)
where:
Base-Base interactions energy: -811.494
where: short stacking energy: -378.000
Base-Backbone interact. energy: 1.830
local terms energy: -457.825877
where:
bonds (distance) C4'-P energy: -105.403
bonds (distance) P-C4' energy: -114.837
flat angles C4'-P-C4' energy: -94.073
flat angles P-C4'-P energy: -61.638
tors. eta vs tors. theta energy: -81.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -891.737749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.737749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.737749 (E_RNA)
where:
Base-Base interactions energy: -529.211
where: short stacking energy: -273.318
Base-Backbone interact. energy: -2.656
local terms energy: -359.871244
where:
bonds (distance) C4'-P energy: -94.807
bonds (distance) P-C4' energy: -97.215
flat angles C4'-P-C4' energy: -86.654
flat angles P-C4'-P energy: -53.320
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -556.063373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.063373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.063373 (E_RNA)
where:
Base-Base interactions energy: -256.511
where: short stacking energy: -168.638
Base-Backbone interact. energy: 2.948
local terms energy: -302.501338
where:
bonds (distance) C4'-P energy: -101.343
bonds (distance) P-C4' energy: -92.166
flat angles C4'-P-C4' energy: -49.936
flat angles P-C4'-P energy: -61.607
tors. eta vs tors. theta energy: 2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -532.588366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.588366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.588366 (E_RNA)
where:
Base-Base interactions energy: -218.881
where: short stacking energy: -146.465
Base-Backbone interact. energy: 4.813
local terms energy: -318.520732
where:
bonds (distance) C4'-P energy: -89.062
bonds (distance) P-C4' energy: -93.023
flat angles C4'-P-C4' energy: -94.955
flat angles P-C4'-P energy: -62.386
tors. eta vs tors. theta energy: 20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1969.845056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.845056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.845056 (E_RNA)
where:
Base-Base interactions energy: -1357.696
where: short stacking energy: -556.296
Base-Backbone interact. energy: 1.598
local terms energy: -613.747685
where:
bonds (distance) C4'-P energy: -98.484
bonds (distance) P-C4' energy: -125.461
flat angles C4'-P-C4' energy: -141.633
flat angles P-C4'-P energy: -88.526
tors. eta vs tors. theta energy: -159.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1875.405650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.405650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.405650 (E_RNA)
where:
Base-Base interactions energy: -1297.533
where: short stacking energy: -528.151
Base-Backbone interact. energy: 7.894
local terms energy: -585.766722
where:
bonds (distance) C4'-P energy: -111.743
bonds (distance) P-C4' energy: -119.087
flat angles C4'-P-C4' energy: -127.666
flat angles P-C4'-P energy: -79.208
tors. eta vs tors. theta energy: -148.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1798.181597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.181597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.181597 (E_RNA)
where:
Base-Base interactions energy: -1215.393
where: short stacking energy: -518.326
Base-Backbone interact. energy: -1.907
local terms energy: -580.881844
where:
bonds (distance) C4'-P energy: -111.870
bonds (distance) P-C4' energy: -111.885
flat angles C4'-P-C4' energy: -130.955
flat angles P-C4'-P energy: -84.547
tors. eta vs tors. theta energy: -141.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1630.486160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.486160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.486160 (E_RNA)
where:
Base-Base interactions energy: -1085.999
where: short stacking energy: -475.540
Base-Backbone interact. energy: 3.164
local terms energy: -547.651521
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -115.827
flat angles C4'-P-C4' energy: -116.291
flat angles P-C4'-P energy: -72.601
tors. eta vs tors. theta energy: -126.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1571.614962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.614962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.614962 (E_RNA)
where:
Base-Base interactions energy: -1034.456
where: short stacking energy: -464.799
Base-Backbone interact. energy: -1.152
local terms energy: -536.006782
where:
bonds (distance) C4'-P energy: -110.019
bonds (distance) P-C4' energy: -110.389
flat angles C4'-P-C4' energy: -111.908
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -125.771
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: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1419.837478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.837478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.837478 (E_RNA)
where:
Base-Base interactions energy: -922.470
where: short stacking energy: -405.959
Base-Backbone interact. energy: -2.020
local terms energy: -495.347115
where:
bonds (distance) C4'-P energy: -107.227
bonds (distance) P-C4' energy: -103.669
flat angles C4'-P-C4' energy: -114.454
flat angles P-C4'-P energy: -68.047
tors. eta vs tors. theta energy: -101.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1192.061239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.061239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.061239 (E_RNA)
where:
Base-Base interactions energy: -758.412
where: short stacking energy: -366.189
Base-Backbone interact. energy: -1.360
local terms energy: -432.288626
where:
bonds (distance) C4'-P energy: -104.105
bonds (distance) P-C4' energy: -76.612
flat angles C4'-P-C4' energy: -101.670
flat angles P-C4'-P energy: -67.042
tors. eta vs tors. theta energy: -82.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -945.031183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.031183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.031183 (E_RNA)
where:
Base-Base interactions energy: -534.796
where: short stacking energy: -273.862
Base-Backbone interact. energy: -0.885
local terms energy: -409.350410
where:
bonds (distance) C4'-P energy: -96.055
bonds (distance) P-C4' energy: -110.953
flat angles C4'-P-C4' energy: -95.057
flat angles P-C4'-P energy: -65.704
tors. eta vs tors. theta energy: -41.581
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: 89
Temperature: 1.300000
Total energy: -554.877882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.877882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.877882 (E_RNA)
where:
Base-Base interactions energy: -227.941
where: short stacking energy: -146.566
Base-Backbone interact. energy: 1.477
local terms energy: -328.414579
where:
bonds (distance) C4'-P energy: -104.044
bonds (distance) P-C4' energy: -98.879
flat angles C4'-P-C4' energy: -82.585
flat angles P-C4'-P energy: -53.898
tors. eta vs tors. theta energy: 10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -494.562551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.562551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.562551 (E_RNA)
where:
Base-Base interactions energy: -175.373
where: short stacking energy: -120.186
Base-Backbone interact. energy: -0.551
local terms energy: -318.638452
where:
bonds (distance) C4'-P energy: -103.423
bonds (distance) P-C4' energy: -95.828
flat angles C4'-P-C4' energy: -87.992
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: 10.247
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: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1961.124507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.124507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.124507 (E_RNA)
where:
Base-Base interactions energy: -1354.406
where: short stacking energy: -567.629
Base-Backbone interact. energy: -0.286
local terms energy: -606.432675
where:
bonds (distance) C4'-P energy: -125.426
bonds (distance) P-C4' energy: -119.888
flat angles C4'-P-C4' energy: -122.740
flat angles P-C4'-P energy: -75.731
tors. eta vs tors. theta energy: -162.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1898.341299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.341299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.341299 (E_RNA)
where:
Base-Base interactions energy: -1282.550
where: short stacking energy: -544.455
Base-Backbone interact. energy: -1.939
local terms energy: -613.852296
where:
bonds (distance) C4'-P energy: -119.862
bonds (distance) P-C4' energy: -123.326
flat angles C4'-P-C4' energy: -131.301
flat angles P-C4'-P energy: -80.724
tors. eta vs tors. theta energy: -158.640
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: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1776.014298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.014298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.014298 (E_RNA)
where:
Base-Base interactions energy: -1206.440
where: short stacking energy: -510.685
Base-Backbone interact. energy: -0.459
local terms energy: -569.115516
where:
bonds (distance) C4'-P energy: -106.254
bonds (distance) P-C4' energy: -114.264
flat angles C4'-P-C4' energy: -129.273
flat angles P-C4'-P energy: -78.447
tors. eta vs tors. theta energy: -140.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1651.674330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.674330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.674330 (E_RNA)
where:
Base-Base interactions energy: -1130.037
where: short stacking energy: -474.614
Base-Backbone interact. energy: 0.591
local terms energy: -522.228046
where:
bonds (distance) C4'-P energy: -97.292
bonds (distance) P-C4' energy: -96.449
flat angles C4'-P-C4' energy: -122.917
flat angles P-C4'-P energy: -69.746
tors. eta vs tors. theta energy: -135.825
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: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1540.185999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.185999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.185999 (E_RNA)
where:
Base-Base interactions energy: -1009.577
where: short stacking energy: -453.749
Base-Backbone interact. energy: -4.901
local terms energy: -525.708571
where:
bonds (distance) C4'-P energy: -107.154
bonds (distance) P-C4' energy: -98.123
flat angles C4'-P-C4' energy: -114.250
flat angles P-C4'-P energy: -79.054
tors. eta vs tors. theta energy: -127.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1446.246478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.246478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.246478 (E_RNA)
where:
Base-Base interactions energy: -956.736
where: short stacking energy: -406.081
Base-Backbone interact. energy: 0.042
local terms energy: -489.552392
where:
bonds (distance) C4'-P energy: -87.348
bonds (distance) P-C4' energy: -109.179
flat angles C4'-P-C4' energy: -114.080
flat angles P-C4'-P energy: -69.402
tors. eta vs tors. theta energy: -109.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1253.371683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.371683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.371683 (E_RNA)
where:
Base-Base interactions energy: -797.841
where: short stacking energy: -392.311
Base-Backbone interact. energy: -2.847
local terms energy: -452.683499
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -98.597
flat angles C4'-P-C4' energy: -116.327
flat angles P-C4'-P energy: -56.195
tors. eta vs tors. theta energy: -88.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -930.469017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.469017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.469017 (E_RNA)
where:
Base-Base interactions energy: -544.406
where: short stacking energy: -254.804
Base-Backbone interact. energy: -1.459
local terms energy: -384.603796
where:
bonds (distance) C4'-P energy: -102.227
bonds (distance) P-C4' energy: -99.818
flat angles C4'-P-C4' energy: -87.842
flat angles P-C4'-P energy: -57.944
tors. eta vs tors. theta energy: -36.772
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: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -571.113323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.113323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.113323 (E_RNA)
where:
Base-Base interactions energy: -250.827
where: short stacking energy: -168.351
Base-Backbone interact. energy: 2.114
local terms energy: -322.399769
where:
bonds (distance) C4'-P energy: -83.054
bonds (distance) P-C4' energy: -100.784
flat angles C4'-P-C4' energy: -99.872
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -452.469491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.469491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.469491 (E_RNA)
where:
Base-Base interactions energy: -170.352
where: short stacking energy: -128.624
Base-Backbone interact. energy: -0.859
local terms energy: -281.258481
where:
bonds (distance) C4'-P energy: -83.280
bonds (distance) P-C4' energy: -109.177
flat angles C4'-P-C4' energy: -76.280
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: 22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1978.407434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.407434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.407434 (E_RNA)
where:
Base-Base interactions energy: -1353.457
where: short stacking energy: -546.300
Base-Backbone interact. energy: -4.122
local terms energy: -620.828042
where:
bonds (distance) C4'-P energy: -115.811
bonds (distance) P-C4' energy: -110.963
flat angles C4'-P-C4' energy: -138.389
flat angles P-C4'-P energy: -95.447
tors. eta vs tors. theta energy: -160.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1851.730963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.730963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.730963 (E_RNA)
where:
Base-Base interactions energy: -1277.526
where: short stacking energy: -536.400
Base-Backbone interact. energy: -3.779
local terms energy: -570.425878
where:
bonds (distance) C4'-P energy: -107.553
bonds (distance) P-C4' energy: -104.540
flat angles C4'-P-C4' energy: -124.145
flat angles P-C4'-P energy: -88.291
tors. eta vs tors. theta energy: -145.897
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: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1783.665945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.665945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.665945 (E_RNA)
where:
Base-Base interactions energy: -1213.653
where: short stacking energy: -503.892
Base-Backbone interact. energy: 0.318
local terms energy: -570.331290
where:
bonds (distance) C4'-P energy: -107.417
bonds (distance) P-C4' energy: -116.567
flat angles C4'-P-C4' energy: -122.232
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -141.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1698.917392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.917392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.917392 (E_RNA)
where:
Base-Base interactions energy: -1124.856
where: short stacking energy: -480.335
Base-Backbone interact. energy: -0.856
local terms energy: -573.205474
where:
bonds (distance) C4'-P energy: -96.381
bonds (distance) P-C4' energy: -122.411
flat angles C4'-P-C4' energy: -133.522
flat angles P-C4'-P energy: -93.958
tors. eta vs tors. theta energy: -126.934
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: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1595.645102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.645102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.645102 (E_RNA)
where:
Base-Base interactions energy: -1047.133
where: short stacking energy: -459.614
Base-Backbone interact. energy: 3.089
local terms energy: -551.600285
where:
bonds (distance) C4'-P energy: -104.985
bonds (distance) P-C4' energy: -119.528
flat angles C4'-P-C4' energy: -126.417
flat angles P-C4'-P energy: -60.803
tors. eta vs tors. theta energy: -139.868
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: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1451.099070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.099070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.099070 (E_RNA)
where:
Base-Base interactions energy: -937.713
where: short stacking energy: -411.689
Base-Backbone interact. energy: -2.188
local terms energy: -511.197262
where:
bonds (distance) C4'-P energy: -102.530
bonds (distance) P-C4' energy: -105.255
flat angles C4'-P-C4' energy: -113.621
flat angles P-C4'-P energy: -71.725
tors. eta vs tors. theta energy: -118.066
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: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1276.075933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.075933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.075933 (E_RNA)
where:
Base-Base interactions energy: -830.156
where: short stacking energy: -375.857
Base-Backbone interact. energy: 0.268
local terms energy: -446.187317
where:
bonds (distance) C4'-P energy: -96.466
bonds (distance) P-C4' energy: -106.720
flat angles C4'-P-C4' energy: -103.054
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -84.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -854.627529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.627529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.627529 (E_RNA)
where:
Base-Base interactions energy: -486.981
where: short stacking energy: -242.483
Base-Backbone interact. energy: 0.966
local terms energy: -368.612555
where:
bonds (distance) C4'-P energy: -97.603
bonds (distance) P-C4' energy: -102.293
flat angles C4'-P-C4' energy: -86.030
flat angles P-C4'-P energy: -57.049
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -572.131050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.131050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.131050 (E_RNA)
where:
Base-Base interactions energy: -234.854
where: short stacking energy: -153.548
Base-Backbone interact. energy: 4.101
local terms energy: -341.377392
where:
bonds (distance) C4'-P energy: -83.775
bonds (distance) P-C4' energy: -95.609
flat angles C4'-P-C4' energy: -97.025
flat angles P-C4'-P energy: -62.732
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -494.043392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.043392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.043392 (E_RNA)
where:
Base-Base interactions energy: -229.763
where: short stacking energy: -154.899
Base-Backbone interact. energy: 7.378
local terms energy: -271.658655
where:
bonds (distance) C4'-P energy: -75.374
bonds (distance) P-C4' energy: -110.739
flat angles C4'-P-C4' energy: -69.507
flat angles P-C4'-P energy: -37.052
tors. eta vs tors. theta energy: 21.013
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: 92
Temperature: 0.900000
Total energy: -1987.627899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.627899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.627899 (E_RNA)
where:
Base-Base interactions energy: -1395.729
where: short stacking energy: -566.241
Base-Backbone interact. energy: -0.359
local terms energy: -591.540230
where:
bonds (distance) C4'-P energy: -108.711
bonds (distance) P-C4' energy: -111.820
flat angles C4'-P-C4' energy: -130.378
flat angles P-C4'-P energy: -84.953
tors. eta vs tors. theta energy: -155.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1903.918441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.918441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.918441 (E_RNA)
where:
Base-Base interactions energy: -1314.531
where: short stacking energy: -557.093
Base-Backbone interact. energy: 1.389
local terms energy: -590.775817
where:
bonds (distance) C4'-P energy: -122.725
bonds (distance) P-C4' energy: -119.675
flat angles C4'-P-C4' energy: -129.406
flat angles P-C4'-P energy: -68.664
tors. eta vs tors. theta energy: -150.305
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: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1747.736710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.736710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.736710 (E_RNA)
where:
Base-Base interactions energy: -1158.690
where: short stacking energy: -499.098
Base-Backbone interact. energy: -2.716
local terms energy: -586.330511
where:
bonds (distance) C4'-P energy: -113.886
bonds (distance) P-C4' energy: -118.678
flat angles C4'-P-C4' energy: -128.621
flat angles P-C4'-P energy: -76.489
tors. eta vs tors. theta energy: -148.657
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: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1694.583984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.583984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.583984 (E_RNA)
where:
Base-Base interactions energy: -1139.711
where: short stacking energy: -467.538
Base-Backbone interact. energy: 1.525
local terms energy: -556.398177
where:
bonds (distance) C4'-P energy: -103.355
bonds (distance) P-C4' energy: -107.395
flat angles C4'-P-C4' energy: -120.452
flat angles P-C4'-P energy: -82.364
tors. eta vs tors. theta energy: -142.831
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: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1605.411006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.411006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.411006 (E_RNA)
where:
Base-Base interactions energy: -1076.835
where: short stacking energy: -478.432
Base-Backbone interact. energy: -1.938
local terms energy: -526.637789
where:
bonds (distance) C4'-P energy: -104.793
bonds (distance) P-C4' energy: -103.592
flat angles C4'-P-C4' energy: -114.647
flat angles P-C4'-P energy: -66.043
tors. eta vs tors. theta energy: -137.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1453.941002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.941002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.941002 (E_RNA)
where:
Base-Base interactions energy: -941.251
where: short stacking energy: -424.632
Base-Backbone interact. energy: 0.221
local terms energy: -512.911181
where:
bonds (distance) C4'-P energy: -103.032
bonds (distance) P-C4' energy: -103.439
flat angles C4'-P-C4' energy: -115.703
flat angles P-C4'-P energy: -73.692
tors. eta vs tors. theta energy: -117.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1262.713986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.713986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.713986 (E_RNA)
where:
Base-Base interactions energy: -802.647
where: short stacking energy: -356.809
Base-Backbone interact. energy: -0.591
local terms energy: -459.476932
where:
bonds (distance) C4'-P energy: -97.903
bonds (distance) P-C4' energy: -113.499
flat angles C4'-P-C4' energy: -112.726
flat angles P-C4'-P energy: -53.256
tors. eta vs tors. theta energy: -82.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -904.862180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.862180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.862180 (E_RNA)
where:
Base-Base interactions energy: -498.038
where: short stacking energy: -252.566
Base-Backbone interact. energy: 5.175
local terms energy: -411.998495
where:
bonds (distance) C4'-P energy: -97.752
bonds (distance) P-C4' energy: -111.597
flat angles C4'-P-C4' energy: -100.653
flat angles P-C4'-P energy: -61.904
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: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -502.536262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.536262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.536262 (E_RNA)
where:
Base-Base interactions energy: -174.265
where: short stacking energy: -141.518
Base-Backbone interact. energy: -0.400
local terms energy: -327.871527
where:
bonds (distance) C4'-P energy: -93.879
bonds (distance) P-C4' energy: -100.012
flat angles C4'-P-C4' energy: -81.808
flat angles P-C4'-P energy: -64.828
tors. eta vs tors. theta energy: 12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -453.929931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.929931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.929931 (E_RNA)
where:
Base-Base interactions energy: -133.369
where: short stacking energy: -124.415
Base-Backbone interact. energy: -2.114
local terms energy: -318.446211
where:
bonds (distance) C4'-P energy: -91.235
bonds (distance) P-C4' energy: -105.850
flat angles C4'-P-C4' energy: -98.172
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: 20.603
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: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1978.725473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.725473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.725473 (E_RNA)
where:
Base-Base interactions energy: -1347.432
where: short stacking energy: -587.544
Base-Backbone interact. energy: -2.685
local terms energy: -628.608125
where:
bonds (distance) C4'-P energy: -122.409
bonds (distance) P-C4' energy: -118.179
flat angles C4'-P-C4' energy: -135.450
flat angles P-C4'-P energy: -89.538
tors. eta vs tors. theta energy: -163.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1915.739725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.739725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.739725 (E_RNA)
where:
Base-Base interactions energy: -1301.532
where: short stacking energy: -544.006
Base-Backbone interact. energy: -2.308
local terms energy: -611.898834
where:
bonds (distance) C4'-P energy: -119.475
bonds (distance) P-C4' energy: -124.437
flat angles C4'-P-C4' energy: -135.339
flat angles P-C4'-P energy: -72.056
tors. eta vs tors. theta energy: -160.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1791.280577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.280577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.280577 (E_RNA)
where:
Base-Base interactions energy: -1189.667
where: short stacking energy: -518.412
Base-Backbone interact. energy: -0.410
local terms energy: -601.203490
where:
bonds (distance) C4'-P energy: -125.605
bonds (distance) P-C4' energy: -119.741
flat angles C4'-P-C4' energy: -126.971
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -146.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1655.115583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.115583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.115583 (E_RNA)
where:
Base-Base interactions energy: -1112.938
where: short stacking energy: -469.914
Base-Backbone interact. energy: -0.706
local terms energy: -541.471608
where:
bonds (distance) C4'-P energy: -108.213
bonds (distance) P-C4' energy: -115.413
flat angles C4'-P-C4' energy: -122.079
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -119.710
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: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1600.133127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.133127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.133127 (E_RNA)
where:
Base-Base interactions energy: -1059.866
where: short stacking energy: -470.995
Base-Backbone interact. energy: -2.442
local terms energy: -537.824727
where:
bonds (distance) C4'-P energy: -99.069
bonds (distance) P-C4' energy: -119.659
flat angles C4'-P-C4' energy: -121.587
flat angles P-C4'-P energy: -67.397
tors. eta vs tors. theta energy: -130.112
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: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1460.243362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.243362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.243362 (E_RNA)
where:
Base-Base interactions energy: -949.633
where: short stacking energy: -410.169
Base-Backbone interact. energy: 2.700
local terms energy: -513.311187
where:
bonds (distance) C4'-P energy: -93.262
bonds (distance) P-C4' energy: -117.332
flat angles C4'-P-C4' energy: -124.918
flat angles P-C4'-P energy: -80.191
tors. eta vs tors. theta energy: -97.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1253.463073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.463073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.463073 (E_RNA)
where:
Base-Base interactions energy: -820.418
where: short stacking energy: -358.477
Base-Backbone interact. energy: -0.518
local terms energy: -432.527153
where:
bonds (distance) C4'-P energy: -88.654
bonds (distance) P-C4' energy: -103.739
flat angles C4'-P-C4' energy: -92.794
flat angles P-C4'-P energy: -68.144
tors. eta vs tors. theta energy: -79.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -856.035780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.035780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.035780 (E_RNA)
where:
Base-Base interactions energy: -469.471
where: short stacking energy: -224.170
Base-Backbone interact. energy: -2.251
local terms energy: -384.313842
where:
bonds (distance) C4'-P energy: -95.470
bonds (distance) P-C4' energy: -110.079
flat angles C4'-P-C4' energy: -96.932
flat angles P-C4'-P energy: -67.059
tors. eta vs tors. theta energy: -14.774
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: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -559.855633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.855633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.855633 (E_RNA)
where:
Base-Base interactions energy: -233.418
where: short stacking energy: -194.846
Base-Backbone interact. energy: -1.940
local terms energy: -324.498270
where:
bonds (distance) C4'-P energy: -86.278
bonds (distance) P-C4' energy: -98.903
flat angles C4'-P-C4' energy: -87.836
flat angles P-C4'-P energy: -56.997
tors. eta vs tors. theta energy: 5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -450.879502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.879502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.879502 (E_RNA)
where:
Base-Base interactions energy: -172.874
where: short stacking energy: -154.442
Base-Backbone interact. energy: 5.962
local terms energy: -283.968074
where:
bonds (distance) C4'-P energy: -89.744
bonds (distance) P-C4' energy: -90.040
flat angles C4'-P-C4' energy: -79.565
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: 3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1976.480222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.480222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.480222 (E_RNA)
where:
Base-Base interactions energy: -1359.203
where: short stacking energy: -585.792
Base-Backbone interact. energy: -2.863
local terms energy: -614.414977
where:
bonds (distance) C4'-P energy: -121.355
bonds (distance) P-C4' energy: -109.848
flat angles C4'-P-C4' energy: -134.837
flat angles P-C4'-P energy: -86.525
tors. eta vs tors. theta energy: -161.850
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: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1888.033505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.033505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.033505 (E_RNA)
where:
Base-Base interactions energy: -1301.137
where: short stacking energy: -545.954
Base-Backbone interact. energy: 0.409
local terms energy: -587.305104
where:
bonds (distance) C4'-P energy: -102.366
bonds (distance) P-C4' energy: -122.670
flat angles C4'-P-C4' energy: -130.328
flat angles P-C4'-P energy: -80.066
tors. eta vs tors. theta energy: -151.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1788.278483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.278483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.278483 (E_RNA)
where:
Base-Base interactions energy: -1199.979
where: short stacking energy: -529.371
Base-Backbone interact. energy: -1.541
local terms energy: -586.758109
where:
bonds (distance) C4'-P energy: -114.472
bonds (distance) P-C4' energy: -120.747
flat angles C4'-P-C4' energy: -126.854
flat angles P-C4'-P energy: -78.573
tors. eta vs tors. theta energy: -146.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1638.720620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.720620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.720620 (E_RNA)
where:
Base-Base interactions energy: -1098.299
where: short stacking energy: -458.696
Base-Backbone interact. energy: -0.586
local terms energy: -539.835247
where:
bonds (distance) C4'-P energy: -105.562
bonds (distance) P-C4' energy: -110.906
flat angles C4'-P-C4' energy: -116.763
flat angles P-C4'-P energy: -83.470
tors. eta vs tors. theta energy: -123.134
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: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1556.812471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.812471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.812471 (E_RNA)
where:
Base-Base interactions energy: -1066.261
where: short stacking energy: -441.308
Base-Backbone interact. energy: 0.573
local terms energy: -491.124184
where:
bonds (distance) C4'-P energy: -100.766
bonds (distance) P-C4' energy: -95.336
flat angles C4'-P-C4' energy: -102.427
flat angles P-C4'-P energy: -71.800
tors. eta vs tors. theta energy: -120.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1423.146414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.146414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.146414 (E_RNA)
where:
Base-Base interactions energy: -919.237
where: short stacking energy: -421.852
Base-Backbone interact. energy: 2.615
local terms energy: -506.524887
where:
bonds (distance) C4'-P energy: -107.297
bonds (distance) P-C4' energy: -111.133
flat angles C4'-P-C4' energy: -110.252
flat angles P-C4'-P energy: -71.985
tors. eta vs tors. theta energy: -105.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1221.673261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.673261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.673261 (E_RNA)
where:
Base-Base interactions energy: -793.779
where: short stacking energy: -352.724
Base-Backbone interact. energy: -0.498
local terms energy: -427.395930
where:
bonds (distance) C4'-P energy: -100.931
bonds (distance) P-C4' energy: -106.216
flat angles C4'-P-C4' energy: -83.234
flat angles P-C4'-P energy: -62.905
tors. eta vs tors. theta energy: -74.109
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: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -857.132093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.132093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.132093 (E_RNA)
where:
Base-Base interactions energy: -455.479
where: short stacking energy: -229.680
Base-Backbone interact. energy: -3.675
local terms energy: -397.978598
where:
bonds (distance) C4'-P energy: -104.245
bonds (distance) P-C4' energy: -123.446
flat angles C4'-P-C4' energy: -77.543
flat angles P-C4'-P energy: -54.512
tors. eta vs tors. theta energy: -38.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -562.805226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.805226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.805226 (E_RNA)
where:
Base-Base interactions energy: -241.881
where: short stacking energy: -149.398
Base-Backbone interact. energy: 6.101
local terms energy: -327.025923
where:
bonds (distance) C4'-P energy: -99.928
bonds (distance) P-C4' energy: -104.583
flat angles C4'-P-C4' energy: -84.213
flat angles P-C4'-P energy: -41.030
tors. eta vs tors. theta energy: 2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -473.898526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.898526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.898526 (E_RNA)
where:
Base-Base interactions energy: -163.676
where: short stacking energy: -130.244
Base-Backbone interact. energy: 12.181
local terms energy: -322.403574
where:
bonds (distance) C4'-P energy: -99.762
bonds (distance) P-C4' energy: -101.656
flat angles C4'-P-C4' energy: -89.616
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: 19.447
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: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1976.204245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.204245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.204245 (E_RNA)
where:
Base-Base interactions energy: -1357.792
where: short stacking energy: -565.990
Base-Backbone interact. energy: 1.515
local terms energy: -619.927535
where:
bonds (distance) C4'-P energy: -117.102
bonds (distance) P-C4' energy: -131.755
flat angles C4'-P-C4' energy: -131.987
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -156.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1864.715873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.715873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.715873 (E_RNA)
where:
Base-Base interactions energy: -1273.852
where: short stacking energy: -544.880
Base-Backbone interact. energy: -3.133
local terms energy: -587.730570
where:
bonds (distance) C4'-P energy: -128.092
bonds (distance) P-C4' energy: -112.973
flat angles C4'-P-C4' energy: -117.307
flat angles P-C4'-P energy: -80.267
tors. eta vs tors. theta energy: -149.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1734.801648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.801648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.801648 (E_RNA)
where:
Base-Base interactions energy: -1187.067
where: short stacking energy: -506.856
Base-Backbone interact. energy: -1.874
local terms energy: -545.861253
where:
bonds (distance) C4'-P energy: -115.612
bonds (distance) P-C4' energy: -100.145
flat angles C4'-P-C4' energy: -116.913
flat angles P-C4'-P energy: -71.761
tors. eta vs tors. theta energy: -141.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1661.017402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.017402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.017402 (E_RNA)
where:
Base-Base interactions energy: -1105.801
where: short stacking energy: -508.143
Base-Backbone interact. energy: 0.669
local terms energy: -555.885232
where:
bonds (distance) C4'-P energy: -101.259
bonds (distance) P-C4' energy: -106.035
flat angles C4'-P-C4' energy: -128.790
flat angles P-C4'-P energy: -80.165
tors. eta vs tors. theta energy: -139.636
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: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1579.513378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.513378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.513378 (E_RNA)
where:
Base-Base interactions energy: -1054.481
where: short stacking energy: -485.043
Base-Backbone interact. energy: -0.622
local terms energy: -524.410868
where:
bonds (distance) C4'-P energy: -99.500
bonds (distance) P-C4' energy: -118.072
flat angles C4'-P-C4' energy: -106.559
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -124.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1353.805927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.805927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.805927 (E_RNA)
where:
Base-Base interactions energy: -866.346
where: short stacking energy: -402.163
Base-Backbone interact. energy: -2.784
local terms energy: -484.675648
where:
bonds (distance) C4'-P energy: -105.618
bonds (distance) P-C4' energy: -108.897
flat angles C4'-P-C4' energy: -104.494
flat angles P-C4'-P energy: -61.785
tors. eta vs tors. theta energy: -103.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1222.482760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.482760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.482760 (E_RNA)
where:
Base-Base interactions energy: -802.025
where: short stacking energy: -326.871
Base-Backbone interact. energy: 1.241
local terms energy: -421.698930
where:
bonds (distance) C4'-P energy: -96.632
bonds (distance) P-C4' energy: -100.041
flat angles C4'-P-C4' energy: -99.932
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -59.114
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: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -845.482660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.482660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.482660 (E_RNA)
where:
Base-Base interactions energy: -455.422
where: short stacking energy: -230.936
Base-Backbone interact. energy: -1.676
local terms energy: -388.384611
where:
bonds (distance) C4'-P energy: -100.214
bonds (distance) P-C4' energy: -102.627
flat angles C4'-P-C4' energy: -94.609
flat angles P-C4'-P energy: -62.671
tors. eta vs tors. theta energy: -28.264
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: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -570.568400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.568400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.568400 (E_RNA)
where:
Base-Base interactions energy: -227.143
where: short stacking energy: -131.572
Base-Backbone interact. energy: -0.440
local terms energy: -342.985014
where:
bonds (distance) C4'-P energy: -104.174
bonds (distance) P-C4' energy: -110.534
flat angles C4'-P-C4' energy: -97.054
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: 11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -471.278171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.278171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.278171 (E_RNA)
where:
Base-Base interactions energy: -167.858
where: short stacking energy: -110.418
Base-Backbone interact. energy: 0.892
local terms energy: -304.311959
where:
bonds (distance) C4'-P energy: -101.869
bonds (distance) P-C4' energy: -97.424
flat angles C4'-P-C4' energy: -92.201
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: 22.797
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: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1998.164092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.164092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.164092 (E_RNA)
where:
Base-Base interactions energy: -1389.445
where: short stacking energy: -556.315
Base-Backbone interact. energy: 2.017
local terms energy: -610.735785
where:
bonds (distance) C4'-P energy: -117.045
bonds (distance) P-C4' energy: -128.942
flat angles C4'-P-C4' energy: -128.377
flat angles P-C4'-P energy: -83.392
tors. eta vs tors. theta energy: -152.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1879.172939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.172939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.172939 (E_RNA)
where:
Base-Base interactions energy: -1312.701
where: short stacking energy: -540.273
Base-Backbone interact. energy: -3.522
local terms energy: -562.950582
where:
bonds (distance) C4'-P energy: -100.402
bonds (distance) P-C4' energy: -103.286
flat angles C4'-P-C4' energy: -124.652
flat angles P-C4'-P energy: -79.340
tors. eta vs tors. theta energy: -155.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1785.108287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.108287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.108287 (E_RNA)
where:
Base-Base interactions energy: -1227.526
where: short stacking energy: -505.463
Base-Backbone interact. energy: 5.667
local terms energy: -563.249502
where:
bonds (distance) C4'-P energy: -112.824
bonds (distance) P-C4' energy: -105.415
flat angles C4'-P-C4' energy: -120.320
flat angles P-C4'-P energy: -80.148
tors. eta vs tors. theta energy: -144.543
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: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1654.421212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.421212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.421212 (E_RNA)
where:
Base-Base interactions energy: -1073.150
where: short stacking energy: -471.780
Base-Backbone interact. energy: -0.767
local terms energy: -580.504861
where:
bonds (distance) C4'-P energy: -126.324
bonds (distance) P-C4' energy: -122.419
flat angles C4'-P-C4' energy: -132.034
flat angles P-C4'-P energy: -75.391
tors. eta vs tors. theta energy: -124.338
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: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1549.178143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.178143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.178143 (E_RNA)
where:
Base-Base interactions energy: -1007.977
where: short stacking energy: -459.425
Base-Backbone interact. energy: 2.419
local terms energy: -543.620006
where:
bonds (distance) C4'-P energy: -96.798
bonds (distance) P-C4' energy: -118.458
flat angles C4'-P-C4' energy: -116.420
flat angles P-C4'-P energy: -81.529
tors. eta vs tors. theta energy: -130.415
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: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1369.433529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.433529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.433529 (E_RNA)
where:
Base-Base interactions energy: -876.362
where: short stacking energy: -423.288
Base-Backbone interact. energy: -3.277
local terms energy: -489.794216
where:
bonds (distance) C4'-P energy: -93.660
bonds (distance) P-C4' energy: -105.595
flat angles C4'-P-C4' energy: -116.803
flat angles P-C4'-P energy: -65.677
tors. eta vs tors. theta energy: -108.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1228.831289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.831289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.831289 (E_RNA)
where:
Base-Base interactions energy: -786.452
where: short stacking energy: -362.467
Base-Backbone interact. energy: -3.157
local terms energy: -439.222066
where:
bonds (distance) C4'-P energy: -93.098
bonds (distance) P-C4' energy: -113.056
flat angles C4'-P-C4' energy: -95.227
flat angles P-C4'-P energy: -58.203
tors. eta vs tors. theta energy: -79.638
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: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -797.114011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.114011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.114011 (E_RNA)
where:
Base-Base interactions energy: -410.053
where: short stacking energy: -227.042
Base-Backbone interact. energy: -1.598
local terms energy: -385.462831
where:
bonds (distance) C4'-P energy: -98.557
bonds (distance) P-C4' energy: -118.091
flat angles C4'-P-C4' energy: -96.573
flat angles P-C4'-P energy: -60.310
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -526.298758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.298758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.298758 (E_RNA)
where:
Base-Base interactions energy: -206.303
where: short stacking energy: -139.900
Base-Backbone interact. energy: 0.044
local terms energy: -320.039783
where:
bonds (distance) C4'-P energy: -96.498
bonds (distance) P-C4' energy: -116.002
flat angles C4'-P-C4' energy: -84.594
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: 23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -448.361066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.361066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.361066 (E_RNA)
where:
Base-Base interactions energy: -140.644
where: short stacking energy: -116.565
Base-Backbone interact. energy: 4.311
local terms energy: -312.027416
where:
bonds (distance) C4'-P energy: -81.755
bonds (distance) P-C4' energy: -113.799
flat angles C4'-P-C4' energy: -76.686
flat angles P-C4'-P energy: -51.301
tors. eta vs tors. theta energy: 11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1997.168037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.168037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.168037 (E_RNA)
where:
Base-Base interactions energy: -1383.051
where: short stacking energy: -590.111
Base-Backbone interact. energy: 0.336
local terms energy: -614.452938
where:
bonds (distance) C4'-P energy: -112.741
bonds (distance) P-C4' energy: -114.600
flat angles C4'-P-C4' energy: -136.552
flat angles P-C4'-P energy: -86.262
tors. eta vs tors. theta energy: -164.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1870.343715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.343715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.343715 (E_RNA)
where:
Base-Base interactions energy: -1269.910
where: short stacking energy: -512.082
Base-Backbone interact. energy: 1.433
local terms energy: -601.866409
where:
bonds (distance) C4'-P energy: -118.170
bonds (distance) P-C4' energy: -118.381
flat angles C4'-P-C4' energy: -135.044
flat angles P-C4'-P energy: -81.582
tors. eta vs tors. theta energy: -148.690
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: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1786.524067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.524067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.524067 (E_RNA)
where:
Base-Base interactions energy: -1202.043
where: short stacking energy: -540.477
Base-Backbone interact. energy: -4.984
local terms energy: -579.497415
where:
bonds (distance) C4'-P energy: -94.020
bonds (distance) P-C4' energy: -126.312
flat angles C4'-P-C4' energy: -134.844
flat angles P-C4'-P energy: -80.760
tors. eta vs tors. theta energy: -143.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1636.642430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.642430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.642430 (E_RNA)
where:
Base-Base interactions energy: -1110.187
where: short stacking energy: -468.949
Base-Backbone interact. energy: -3.631
local terms energy: -522.824205
where:
bonds (distance) C4'-P energy: -94.789
bonds (distance) P-C4' energy: -101.904
flat angles C4'-P-C4' energy: -121.631
flat angles P-C4'-P energy: -74.850
tors. eta vs tors. theta energy: -129.650
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1530.151586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.151586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.151586 (E_RNA)
where:
Base-Base interactions energy: -993.904
where: short stacking energy: -459.183
Base-Backbone interact. energy: 0.169
local terms energy: -536.416154
where:
bonds (distance) C4'-P energy: -98.406
bonds (distance) P-C4' energy: -121.147
flat angles C4'-P-C4' energy: -121.244
flat angles P-C4'-P energy: -78.735
tors. eta vs tors. theta energy: -116.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1337.798844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.798844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.798844 (E_RNA)
where:
Base-Base interactions energy: -829.206
where: short stacking energy: -386.575
Base-Backbone interact. energy: -3.635
local terms energy: -504.958235
where:
bonds (distance) C4'-P energy: -103.318
bonds (distance) P-C4' energy: -114.444
flat angles C4'-P-C4' energy: -105.657
flat angles P-C4'-P energy: -76.131
tors. eta vs tors. theta energy: -105.409
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: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1258.965179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.965179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.965179 (E_RNA)
where:
Base-Base interactions energy: -791.698
where: short stacking energy: -329.529
Base-Backbone interact. energy: -1.192
local terms energy: -466.075333
where:
bonds (distance) C4'-P energy: -110.736
bonds (distance) P-C4' energy: -105.964
flat angles C4'-P-C4' energy: -117.632
flat angles P-C4'-P energy: -62.263
tors. eta vs tors. theta energy: -69.480
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: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -799.601873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.601873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.601873 (E_RNA)
where:
Base-Base interactions energy: -440.845
where: short stacking energy: -235.970
Base-Backbone interact. energy: 4.466
local terms energy: -363.222525
where:
bonds (distance) C4'-P energy: -95.994
bonds (distance) P-C4' energy: -97.101
flat angles C4'-P-C4' energy: -94.406
flat angles P-C4'-P energy: -54.862
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -499.547101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.547101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.547101 (E_RNA)
where:
Base-Base interactions energy: -188.712
where: short stacking energy: -144.450
Base-Backbone interact. energy: -1.584
local terms energy: -309.251168
where:
bonds (distance) C4'-P energy: -72.917
bonds (distance) P-C4' energy: -102.324
flat angles C4'-P-C4' energy: -87.865
flat angles P-C4'-P energy: -63.157
tors. eta vs tors. theta energy: 17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -472.134578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.134578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.134578 (E_RNA)
where:
Base-Base interactions energy: -177.574
where: short stacking energy: -111.509
Base-Backbone interact. energy: -2.194
local terms energy: -292.366035
where:
bonds (distance) C4'-P energy: -86.932
bonds (distance) P-C4' energy: -96.789
flat angles C4'-P-C4' energy: -77.296
flat angles P-C4'-P energy: -51.929
tors. eta vs tors. theta energy: 20.580
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: 98
Temperature: 0.900000
Total energy: -1964.445874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.445874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.445874 (E_RNA)
where:
Base-Base interactions energy: -1348.026
where: short stacking energy: -570.422
Base-Backbone interact. energy: -3.189
local terms energy: -613.231305
where:
bonds (distance) C4'-P energy: -130.687
bonds (distance) P-C4' energy: -119.107
flat angles C4'-P-C4' energy: -121.234
flat angles P-C4'-P energy: -91.172
tors. eta vs tors. theta energy: -151.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1865.013087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.013087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.013087 (E_RNA)
where:
Base-Base interactions energy: -1292.116
where: short stacking energy: -515.956
Base-Backbone interact. energy: -0.693
local terms energy: -572.204140
where:
bonds (distance) C4'-P energy: -105.683
bonds (distance) P-C4' energy: -120.977
flat angles C4'-P-C4' energy: -124.079
flat angles P-C4'-P energy: -77.234
tors. eta vs tors. theta energy: -144.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1770.158797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.158797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.158797 (E_RNA)
where:
Base-Base interactions energy: -1201.486
where: short stacking energy: -493.341
Base-Backbone interact. energy: -2.263
local terms energy: -566.409929
where:
bonds (distance) C4'-P energy: -100.103
bonds (distance) P-C4' energy: -119.572
flat angles C4'-P-C4' energy: -130.261
flat angles P-C4'-P energy: -81.650
tors. eta vs tors. theta energy: -134.825
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: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1683.418538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.418538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.418538 (E_RNA)
where:
Base-Base interactions energy: -1091.819
where: short stacking energy: -455.482
Base-Backbone interact. energy: -3.192
local terms energy: -588.407375
where:
bonds (distance) C4'-P energy: -109.553
bonds (distance) P-C4' energy: -124.790
flat angles C4'-P-C4' energy: -125.291
flat angles P-C4'-P energy: -87.982
tors. eta vs tors. theta energy: -140.791
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: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1576.877681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.877681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.877681 (E_RNA)
where:
Base-Base interactions energy: -1038.872
where: short stacking energy: -501.207
Base-Backbone interact. energy: -3.772
local terms energy: -534.233927
where:
bonds (distance) C4'-P energy: -104.598
bonds (distance) P-C4' energy: -107.762
flat angles C4'-P-C4' energy: -118.291
flat angles P-C4'-P energy: -77.165
tors. eta vs tors. theta energy: -126.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1362.589200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.589200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.589200 (E_RNA)
where:
Base-Base interactions energy: -848.310
where: short stacking energy: -398.839
Base-Backbone interact. energy: -3.108
local terms energy: -511.171324
where:
bonds (distance) C4'-P energy: -103.876
bonds (distance) P-C4' energy: -121.322
flat angles C4'-P-C4' energy: -109.860
flat angles P-C4'-P energy: -79.458
tors. eta vs tors. theta energy: -96.655
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: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1224.496678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.496678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.496678 (E_RNA)
where:
Base-Base interactions energy: -781.994
where: short stacking energy: -329.232
Base-Backbone interact. energy: -4.965
local terms energy: -437.537274
where:
bonds (distance) C4'-P energy: -108.428
bonds (distance) P-C4' energy: -101.261
flat angles C4'-P-C4' energy: -103.671
flat angles P-C4'-P energy: -56.103
tors. eta vs tors. theta energy: -68.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -841.384341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.384341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.384341 (E_RNA)
where:
Base-Base interactions energy: -443.355
where: short stacking energy: -253.176
Base-Backbone interact. energy: 1.413
local terms energy: -399.441822
where:
bonds (distance) C4'-P energy: -98.710
bonds (distance) P-C4' energy: -94.176
flat angles C4'-P-C4' energy: -103.750
flat angles P-C4'-P energy: -54.314
tors. eta vs tors. theta energy: -48.492
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: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -523.419320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.419320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.419320 (E_RNA)
where:
Base-Base interactions energy: -214.470
where: short stacking energy: -154.329
Base-Backbone interact. energy: -2.773
local terms energy: -306.176836
where:
bonds (distance) C4'-P energy: -80.822
bonds (distance) P-C4' energy: -101.621
flat angles C4'-P-C4' energy: -95.735
flat angles P-C4'-P energy: -39.580
tors. eta vs tors. theta energy: 11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -456.802256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.802256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.802256 (E_RNA)
where:
Base-Base interactions energy: -151.009
where: short stacking energy: -131.949
Base-Backbone interact. energy: 4.012
local terms energy: -309.804801
where:
bonds (distance) C4'-P energy: -100.907
bonds (distance) P-C4' energy: -98.577
flat angles C4'-P-C4' energy: -82.479
flat angles P-C4'-P energy: -45.614
tors. eta vs tors. theta energy: 17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2016.243482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.243482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.243482 (E_RNA)
where:
Base-Base interactions energy: -1387.889
where: short stacking energy: -585.376
Base-Backbone interact. energy: -2.581
local terms energy: -625.773746
where:
bonds (distance) C4'-P energy: -124.046
bonds (distance) P-C4' energy: -119.333
flat angles C4'-P-C4' energy: -131.620
flat angles P-C4'-P energy: -78.503
tors. eta vs tors. theta energy: -172.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1863.400249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.400249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.400249 (E_RNA)
where:
Base-Base interactions energy: -1269.869
where: short stacking energy: -511.775
Base-Backbone interact. energy: -1.302
local terms energy: -592.229581
where:
bonds (distance) C4'-P energy: -109.117
bonds (distance) P-C4' energy: -124.586
flat angles C4'-P-C4' energy: -127.808
flat angles P-C4'-P energy: -82.506
tors. eta vs tors. theta energy: -148.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1754.596322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.596322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.596322 (E_RNA)
where:
Base-Base interactions energy: -1196.962
where: short stacking energy: -490.420
Base-Backbone interact. energy: -1.755
local terms energy: -555.879336
where:
bonds (distance) C4'-P energy: -107.380
bonds (distance) P-C4' energy: -114.316
flat angles C4'-P-C4' energy: -131.832
flat angles P-C4'-P energy: -74.574
tors. eta vs tors. theta energy: -127.778
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: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1696.174914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.174914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.174914 (E_RNA)
where:
Base-Base interactions energy: -1172.182
where: short stacking energy: -480.857
Base-Backbone interact. energy: -0.639
local terms energy: -523.353696
where:
bonds (distance) C4'-P energy: -109.602
bonds (distance) P-C4' energy: -94.385
flat angles C4'-P-C4' energy: -116.216
flat angles P-C4'-P energy: -66.600
tors. eta vs tors. theta energy: -136.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1568.041833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.041833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.041833 (E_RNA)
where:
Base-Base interactions energy: -1076.088
where: short stacking energy: -478.241
Base-Backbone interact. energy: -2.438
local terms energy: -489.516118
where:
bonds (distance) C4'-P energy: -77.463
bonds (distance) P-C4' energy: -107.376
flat angles C4'-P-C4' energy: -113.913
flat angles P-C4'-P energy: -66.801
tors. eta vs tors. theta energy: -123.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1338.165716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.165716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.165716 (E_RNA)
where:
Base-Base interactions energy: -844.180
where: short stacking energy: -407.462
Base-Backbone interact. energy: -1.291
local terms energy: -492.694773
where:
bonds (distance) C4'-P energy: -82.880
bonds (distance) P-C4' energy: -110.868
flat angles C4'-P-C4' energy: -110.723
flat angles P-C4'-P energy: -86.527
tors. eta vs tors. theta energy: -101.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1174.595961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.595961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.595961 (E_RNA)
where:
Base-Base interactions energy: -745.504
where: short stacking energy: -351.500
Base-Backbone interact. energy: 2.251
local terms energy: -431.343285
where:
bonds (distance) C4'-P energy: -82.185
bonds (distance) P-C4' energy: -101.869
flat angles C4'-P-C4' energy: -115.225
flat angles P-C4'-P energy: -62.087
tors. eta vs tors. theta energy: -69.978
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: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -790.267986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.267986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.267986 (E_RNA)
where:
Base-Base interactions energy: -444.197
where: short stacking energy: -216.220
Base-Backbone interact. energy: 0.688
local terms energy: -346.759341
where:
bonds (distance) C4'-P energy: -82.812
bonds (distance) P-C4' energy: -102.104
flat angles C4'-P-C4' energy: -87.030
flat angles P-C4'-P energy: -58.396
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -523.376361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.376361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.376361 (E_RNA)
where:
Base-Base interactions energy: -194.882
where: short stacking energy: -138.313
Base-Backbone interact. energy: 4.950
local terms energy: -333.444560
where:
bonds (distance) C4'-P energy: -95.068
bonds (distance) P-C4' energy: -112.790
flat angles C4'-P-C4' energy: -85.808
flat angles P-C4'-P energy: -62.925
tors. eta vs tors. theta energy: 23.147
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: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -440.386405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.386405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.386405 (E_RNA)
where:
Base-Base interactions energy: -134.257
where: short stacking energy: -117.610
Base-Backbone interact. energy: -2.637
local terms energy: -303.492562
where:
bonds (distance) C4'-P energy: -99.679
bonds (distance) P-C4' energy: -89.206
flat angles C4'-P-C4' energy: -76.623
flat angles P-C4'-P energy: -50.983
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: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1999.587044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.587044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.587044 (E_RNA)
where:
Base-Base interactions energy: -1364.835
where: short stacking energy: -542.185
Base-Backbone interact. energy: -1.337
local terms energy: -633.415250
where:
bonds (distance) C4'-P energy: -123.159
bonds (distance) P-C4' energy: -119.291
flat angles C4'-P-C4' energy: -132.248
flat angles P-C4'-P energy: -93.523
tors. eta vs tors. theta energy: -165.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1810.903276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.903276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.903276 (E_RNA)
where:
Base-Base interactions energy: -1243.198
where: short stacking energy: -513.467
Base-Backbone interact. energy: -2.661
local terms energy: -565.044298
where:
bonds (distance) C4'-P energy: -105.068
bonds (distance) P-C4' energy: -121.610
flat angles C4'-P-C4' energy: -125.748
flat angles P-C4'-P energy: -71.631
tors. eta vs tors. theta energy: -140.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1805.602525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.602525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.602525 (E_RNA)
where:
Base-Base interactions energy: -1205.687
where: short stacking energy: -487.777
Base-Backbone interact. energy: -3.356
local terms energy: -596.559321
where:
bonds (distance) C4'-P energy: -118.846
bonds (distance) P-C4' energy: -112.013
flat angles C4'-P-C4' energy: -130.756
flat angles P-C4'-P energy: -91.460
tors. eta vs tors. theta energy: -143.484
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: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1691.950192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.950192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.950192 (E_RNA)
where:
Base-Base interactions energy: -1148.260
where: short stacking energy: -485.658
Base-Backbone interact. energy: -0.013
local terms energy: -543.676990
where:
bonds (distance) C4'-P energy: -104.702
bonds (distance) P-C4' energy: -83.149
flat angles C4'-P-C4' energy: -129.704
flat angles P-C4'-P energy: -85.763
tors. eta vs tors. theta energy: -140.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1554.721810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.721810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.721810 (E_RNA)
where:
Base-Base interactions energy: -1036.178
where: short stacking energy: -469.430
Base-Backbone interact. energy: -1.099
local terms energy: -517.444553
where:
bonds (distance) C4'-P energy: -109.865
bonds (distance) P-C4' energy: -102.545
flat angles C4'-P-C4' energy: -110.454
flat angles P-C4'-P energy: -68.654
tors. eta vs tors. theta energy: -125.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1306.942151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.942151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.942151 (E_RNA)
where:
Base-Base interactions energy: -827.448
where: short stacking energy: -363.572
Base-Backbone interact. energy: 1.963
local terms energy: -481.456900
where:
bonds (distance) C4'-P energy: -119.358
bonds (distance) P-C4' energy: -101.832
flat angles C4'-P-C4' energy: -113.303
flat angles P-C4'-P energy: -63.253
tors. eta vs tors. theta energy: -83.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1206.151861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.151861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.151861 (E_RNA)
where:
Base-Base interactions energy: -749.739
where: short stacking energy: -328.634
Base-Backbone interact. energy: 4.478
local terms energy: -460.890805
where:
bonds (distance) C4'-P energy: -92.562
bonds (distance) P-C4' energy: -108.341
flat angles C4'-P-C4' energy: -109.914
flat angles P-C4'-P energy: -75.956
tors. eta vs tors. theta energy: -74.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -807.671246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.671246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.671246 (E_RNA)
where:
Base-Base interactions energy: -430.417
where: short stacking energy: -234.194
Base-Backbone interact. energy: -0.919
local terms energy: -376.335357
where:
bonds (distance) C4'-P energy: -105.564
bonds (distance) P-C4' energy: -92.335
flat angles C4'-P-C4' energy: -96.428
flat angles P-C4'-P energy: -57.017
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -507.932544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.932544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.932544 (E_RNA)
where:
Base-Base interactions energy: -185.492
where: short stacking energy: -138.815
Base-Backbone interact. energy: 0.728
local terms energy: -323.168657
where:
bonds (distance) C4'-P energy: -97.223
bonds (distance) P-C4' energy: -96.571
flat angles C4'-P-C4' energy: -102.977
flat angles P-C4'-P energy: -26.703
tors. eta vs tors. theta energy: 0.306
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: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -430.764205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.764205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.764205 (E_RNA)
where:
Base-Base interactions energy: -122.527
where: short stacking energy: -106.215
Base-Backbone interact. energy: -0.166
local terms energy: -308.071548
where:
bonds (distance) C4'-P energy: -77.671
bonds (distance) P-C4' energy: -111.877
flat angles C4'-P-C4' energy: -76.298
flat angles P-C4'-P energy: -64.493
tors. eta vs tors. theta energy: 22.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2013.156778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.156778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.156778 (E_RNA)
where:
Base-Base interactions energy: -1396.796
where: short stacking energy: -618.196
Base-Backbone interact. energy: -1.501
local terms energy: -614.860251
where:
bonds (distance) C4'-P energy: -116.031
bonds (distance) P-C4' energy: -111.675
flat angles C4'-P-C4' energy: -122.108
flat angles P-C4'-P energy: -86.358
tors. eta vs tors. theta energy: -178.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1824.665825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.665825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.665825 (E_RNA)
where:
Base-Base interactions energy: -1251.134
where: short stacking energy: -497.365
Base-Backbone interact. energy: -3.444
local terms energy: -570.088461
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -108.550
flat angles C4'-P-C4' energy: -129.019
flat angles P-C4'-P energy: -80.958
tors. eta vs tors. theta energy: -133.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1785.055088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.055088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.055088 (E_RNA)
where:
Base-Base interactions energy: -1224.314
where: short stacking energy: -525.219
Base-Backbone interact. energy: -0.834
local terms energy: -559.907357
where:
bonds (distance) C4'-P energy: -114.671
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -122.222
flat angles P-C4'-P energy: -90.106
tors. eta vs tors. theta energy: -133.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1689.906290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.906290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.906290 (E_RNA)
where:
Base-Base interactions energy: -1166.510
where: short stacking energy: -481.375
Base-Backbone interact. energy: 0.890
local terms energy: -524.286196
where:
bonds (distance) C4'-P energy: -97.159
bonds (distance) P-C4' energy: -100.031
flat angles C4'-P-C4' energy: -121.427
flat angles P-C4'-P energy: -73.395
tors. eta vs tors. theta energy: -132.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1564.330762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.330762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.330762 (E_RNA)
where:
Base-Base interactions energy: -1047.102
where: short stacking energy: -433.119
Base-Backbone interact. energy: -3.100
local terms energy: -514.128473
where:
bonds (distance) C4'-P energy: -95.220
bonds (distance) P-C4' energy: -111.291
flat angles C4'-P-C4' energy: -122.472
flat angles P-C4'-P energy: -68.588
tors. eta vs tors. theta energy: -116.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1274.689033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.689033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.689033 (E_RNA)
where:
Base-Base interactions energy: -803.355
where: short stacking energy: -369.464
Base-Backbone interact. energy: 1.074
local terms energy: -472.407580
where:
bonds (distance) C4'-P energy: -109.158
bonds (distance) P-C4' energy: -103.257
flat angles C4'-P-C4' energy: -113.818
flat angles P-C4'-P energy: -67.416
tors. eta vs tors. theta energy: -78.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1259.590751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.590751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.590751 (E_RNA)
where:
Base-Base interactions energy: -806.760
where: short stacking energy: -370.339
Base-Backbone interact. energy: 0.858
local terms energy: -453.688740
where:
bonds (distance) C4'-P energy: -96.335
bonds (distance) P-C4' energy: -106.494
flat angles C4'-P-C4' energy: -110.259
flat angles P-C4'-P energy: -45.690
tors. eta vs tors. theta energy: -94.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -806.326510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.326510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.326510 (E_RNA)
where:
Base-Base interactions energy: -412.714
where: short stacking energy: -222.325
Base-Backbone interact. energy: 2.446
local terms energy: -396.058656
where:
bonds (distance) C4'-P energy: -102.448
bonds (distance) P-C4' energy: -105.187
flat angles C4'-P-C4' energy: -92.646
flat angles P-C4'-P energy: -69.832
tors. eta vs tors. theta energy: -25.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -520.072907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.072907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.072907 (E_RNA)
where:
Base-Base interactions energy: -214.233
where: short stacking energy: -168.468
Base-Backbone interact. energy: 7.596
local terms energy: -313.435279
where:
bonds (distance) C4'-P energy: -102.655
bonds (distance) P-C4' energy: -84.732
flat angles C4'-P-C4' energy: -76.623
flat angles P-C4'-P energy: -59.591
tors. eta vs tors. theta energy: 10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -463.633126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.633126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.633126 (E_RNA)
where:
Base-Base interactions energy: -184.740
where: short stacking energy: -135.471
Base-Backbone interact. energy: 2.363
local terms energy: -281.255705
where:
bonds (distance) C4'-P energy: -60.685
bonds (distance) P-C4' energy: -89.601
flat angles C4'-P-C4' energy: -100.724
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: 3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2013.332264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.332264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.332264 (E_RNA)
where:
Base-Base interactions energy: -1381.989
where: short stacking energy: -571.214
Base-Backbone interact. energy: -4.581
local terms energy: -626.761773
where:
bonds (distance) C4'-P energy: -106.185
bonds (distance) P-C4' energy: -116.390
flat angles C4'-P-C4' energy: -130.805
flat angles P-C4'-P energy: -100.175
tors. eta vs tors. theta energy: -173.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1829.196452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.196452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.196452 (E_RNA)
where:
Base-Base interactions energy: -1242.974
where: short stacking energy: -507.700
Base-Backbone interact. energy: -6.859
local terms energy: -579.363642
where:
bonds (distance) C4'-P energy: -111.433
bonds (distance) P-C4' energy: -105.317
flat angles C4'-P-C4' energy: -127.683
flat angles P-C4'-P energy: -88.609
tors. eta vs tors. theta energy: -146.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1809.630249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.630249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.630249 (E_RNA)
where:
Base-Base interactions energy: -1240.163
where: short stacking energy: -527.312
Base-Backbone interact. energy: -3.730
local terms energy: -565.736816
where:
bonds (distance) C4'-P energy: -110.917
bonds (distance) P-C4' energy: -107.501
flat angles C4'-P-C4' energy: -121.929
flat angles P-C4'-P energy: -78.021
tors. eta vs tors. theta energy: -147.368
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: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1663.060377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.060377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.060377 (E_RNA)
where:
Base-Base interactions energy: -1109.913
where: short stacking energy: -478.115
Base-Backbone interact. energy: 0.850
local terms energy: -553.997831
where:
bonds (distance) C4'-P energy: -97.829
bonds (distance) P-C4' energy: -113.189
flat angles C4'-P-C4' energy: -127.234
flat angles P-C4'-P energy: -73.642
tors. eta vs tors. theta energy: -142.104
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: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1508.979685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.979685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.979685 (E_RNA)
where:
Base-Base interactions energy: -999.350
where: short stacking energy: -473.008
Base-Backbone interact. energy: 5.406
local terms energy: -515.034891
where:
bonds (distance) C4'-P energy: -105.281
bonds (distance) P-C4' energy: -90.057
flat angles C4'-P-C4' energy: -120.709
flat angles P-C4'-P energy: -75.606
tors. eta vs tors. theta energy: -123.381
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1274.143143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.143143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.143143 (E_RNA)
where:
Base-Base interactions energy: -802.232
where: short stacking energy: -370.428
Base-Backbone interact. energy: 4.250
local terms energy: -476.162069
where:
bonds (distance) C4'-P energy: -111.262
bonds (distance) P-C4' energy: -114.307
flat angles C4'-P-C4' energy: -111.805
flat angles P-C4'-P energy: -62.802
tors. eta vs tors. theta energy: -75.986
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: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1282.945779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.945779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.945779 (E_RNA)
where:
Base-Base interactions energy: -822.157
where: short stacking energy: -379.758
Base-Backbone interact. energy: -1.550
local terms energy: -459.238670
where:
bonds (distance) C4'-P energy: -97.048
bonds (distance) P-C4' energy: -103.995
flat angles C4'-P-C4' energy: -97.257
flat angles P-C4'-P energy: -74.017
tors. eta vs tors. theta energy: -86.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -772.919096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.919096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.919096 (E_RNA)
where:
Base-Base interactions energy: -374.697
where: short stacking energy: -218.483
Base-Backbone interact. energy: -0.802
local terms energy: -397.419680
where:
bonds (distance) C4'-P energy: -105.642
bonds (distance) P-C4' energy: -113.070
flat angles C4'-P-C4' energy: -100.391
flat angles P-C4'-P energy: -62.186
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -603.283230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.283230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.283230 (E_RNA)
where:
Base-Base interactions energy: -241.235
where: short stacking energy: -171.912
Base-Backbone interact. energy: -2.203
local terms energy: -359.845127
where:
bonds (distance) C4'-P energy: -89.300
bonds (distance) P-C4' energy: -116.007
flat angles C4'-P-C4' energy: -77.497
flat angles P-C4'-P energy: -65.526
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -483.844765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.844765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.844765 (E_RNA)
where:
Base-Base interactions energy: -213.478
where: short stacking energy: -142.090
Base-Backbone interact. energy: 2.011
local terms energy: -272.377744
where:
bonds (distance) C4'-P energy: -87.996
bonds (distance) P-C4' energy: -102.418
flat angles C4'-P-C4' energy: -78.113
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: 20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1989.428432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.428432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.428432 (E_RNA)
where:
Base-Base interactions energy: -1379.348
where: short stacking energy: -571.980
Base-Backbone interact. energy: -1.327
local terms energy: -608.752964
where:
bonds (distance) C4'-P energy: -119.616
bonds (distance) P-C4' energy: -102.188
flat angles C4'-P-C4' energy: -123.587
flat angles P-C4'-P energy: -91.870
tors. eta vs tors. theta energy: -171.492
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: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1848.366649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.366649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.366649 (E_RNA)
where:
Base-Base interactions energy: -1267.063
where: short stacking energy: -553.379
Base-Backbone interact. energy: -3.138
local terms energy: -578.165529
where:
bonds (distance) C4'-P energy: -107.482
bonds (distance) P-C4' energy: -109.860
flat angles C4'-P-C4' energy: -121.051
flat angles P-C4'-P energy: -83.493
tors. eta vs tors. theta energy: -156.280
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: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1769.646850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.646850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.646850 (E_RNA)
where:
Base-Base interactions energy: -1187.870
where: short stacking energy: -504.711
Base-Backbone interact. energy: 0.253
local terms energy: -582.029968
where:
bonds (distance) C4'-P energy: -120.813
bonds (distance) P-C4' energy: -116.731
flat angles C4'-P-C4' energy: -111.032
flat angles P-C4'-P energy: -87.858
tors. eta vs tors. theta energy: -145.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1605.161200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.161200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.161200 (E_RNA)
where:
Base-Base interactions energy: -1069.962
where: short stacking energy: -472.817
Base-Backbone interact. energy: -2.700
local terms energy: -532.499452
where:
bonds (distance) C4'-P energy: -112.886
bonds (distance) P-C4' energy: -117.167
flat angles C4'-P-C4' energy: -117.048
flat angles P-C4'-P energy: -69.016
tors. eta vs tors. theta energy: -116.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1520.265148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.265148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.265148 (E_RNA)
where:
Base-Base interactions energy: -1011.575
where: short stacking energy: -443.623
Base-Backbone interact. energy: -4.054
local terms energy: -504.635502
where:
bonds (distance) C4'-P energy: -105.525
bonds (distance) P-C4' energy: -87.549
flat angles C4'-P-C4' energy: -122.994
flat angles P-C4'-P energy: -66.151
tors. eta vs tors. theta energy: -122.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1382.901372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.901372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.901372 (E_RNA)
where:
Base-Base interactions energy: -894.184
where: short stacking energy: -375.291
Base-Backbone interact. energy: 2.674
local terms energy: -491.390942
where:
bonds (distance) C4'-P energy: -103.311
bonds (distance) P-C4' energy: -105.146
flat angles C4'-P-C4' energy: -112.095
flat angles P-C4'-P energy: -61.418
tors. eta vs tors. theta energy: -109.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1161.940378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.940378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.940378 (E_RNA)
where:
Base-Base interactions energy: -722.310
where: short stacking energy: -324.633
Base-Backbone interact. energy: -1.779
local terms energy: -437.852026
where:
bonds (distance) C4'-P energy: -106.097
bonds (distance) P-C4' energy: -103.719
flat angles C4'-P-C4' energy: -99.028
flat angles P-C4'-P energy: -53.380
tors. eta vs tors. theta energy: -75.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -796.354289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.354289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.354289 (E_RNA)
where:
Base-Base interactions energy: -425.277
where: short stacking energy: -244.311
Base-Backbone interact. energy: -2.759
local terms energy: -368.319005
where:
bonds (distance) C4'-P energy: -90.242
bonds (distance) P-C4' energy: -116.016
flat angles C4'-P-C4' energy: -83.786
flat angles P-C4'-P energy: -51.679
tors. eta vs tors. theta energy: -26.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -518.961528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.961528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.961528 (E_RNA)
where:
Base-Base interactions energy: -216.633
where: short stacking energy: -133.040
Base-Backbone interact. energy: 0.389
local terms energy: -302.718129
where:
bonds (distance) C4'-P energy: -91.289
bonds (distance) P-C4' energy: -105.997
flat angles C4'-P-C4' energy: -85.896
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: 26.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -459.994864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.994864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.994864 (E_RNA)
where:
Base-Base interactions energy: -151.085
where: short stacking energy: -129.006
Base-Backbone interact. energy: -0.051
local terms energy: -308.858400
where:
bonds (distance) C4'-P energy: -87.770
bonds (distance) P-C4' energy: -101.604
flat angles C4'-P-C4' energy: -72.619
flat angles P-C4'-P energy: -56.652
tors. eta vs tors. theta energy: 9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2017.155387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.155387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.155387 (E_RNA)
where:
Base-Base interactions energy: -1368.690
where: short stacking energy: -601.173
Base-Backbone interact. energy: -1.099
local terms energy: -647.366065
where:
bonds (distance) C4'-P energy: -117.537
bonds (distance) P-C4' energy: -124.227
flat angles C4'-P-C4' energy: -138.844
flat angles P-C4'-P energy: -87.066
tors. eta vs tors. theta energy: -179.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1875.323682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.323682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.323682 (E_RNA)
where:
Base-Base interactions energy: -1304.523
where: short stacking energy: -564.530
Base-Backbone interact. energy: -3.022
local terms energy: -567.778111
where:
bonds (distance) C4'-P energy: -112.797
bonds (distance) P-C4' energy: -106.120
flat angles C4'-P-C4' energy: -131.249
flat angles P-C4'-P energy: -73.707
tors. eta vs tors. theta energy: -143.905
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: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1755.975463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.975463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.975463 (E_RNA)
where:
Base-Base interactions energy: -1201.397
where: short stacking energy: -501.989
Base-Backbone interact. energy: 1.491
local terms energy: -556.069922
where:
bonds (distance) C4'-P energy: -105.476
bonds (distance) P-C4' energy: -110.975
flat angles C4'-P-C4' energy: -125.317
flat angles P-C4'-P energy: -67.908
tors. eta vs tors. theta energy: -146.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1586.823681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.823681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.823681 (E_RNA)
where:
Base-Base interactions energy: -1072.052
where: short stacking energy: -472.613
Base-Backbone interact. energy: -1.762
local terms energy: -513.009994
where:
bonds (distance) C4'-P energy: -93.961
bonds (distance) P-C4' energy: -112.120
flat angles C4'-P-C4' energy: -115.185
flat angles P-C4'-P energy: -72.039
tors. eta vs tors. theta energy: -119.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1524.079171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.079171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.079171 (E_RNA)
where:
Base-Base interactions energy: -1016.939
where: short stacking energy: -446.388
Base-Backbone interact. energy: -1.748
local terms energy: -505.392750
where:
bonds (distance) C4'-P energy: -102.437
bonds (distance) P-C4' energy: -99.460
flat angles C4'-P-C4' energy: -120.455
flat angles P-C4'-P energy: -60.816
tors. eta vs tors. theta energy: -122.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1371.280600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.280600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.280600 (E_RNA)
where:
Base-Base interactions energy: -913.820
where: short stacking energy: -408.221
Base-Backbone interact. energy: -2.332
local terms energy: -455.128605
where:
bonds (distance) C4'-P energy: -83.434
bonds (distance) P-C4' energy: -92.075
flat angles C4'-P-C4' energy: -110.099
flat angles P-C4'-P energy: -69.153
tors. eta vs tors. theta energy: -100.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1172.566827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.566827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.566827 (E_RNA)
where:
Base-Base interactions energy: -760.215
where: short stacking energy: -336.925
Base-Backbone interact. energy: -0.468
local terms energy: -411.883336
where:
bonds (distance) C4'-P energy: -86.946
bonds (distance) P-C4' energy: -85.803
flat angles C4'-P-C4' energy: -98.376
flat angles P-C4'-P energy: -55.534
tors. eta vs tors. theta energy: -85.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -825.304311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.304311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.304311 (E_RNA)
where:
Base-Base interactions energy: -431.600
where: short stacking energy: -242.130
Base-Backbone interact. energy: -1.603
local terms energy: -392.101544
where:
bonds (distance) C4'-P energy: -93.473
bonds (distance) P-C4' energy: -109.985
flat angles C4'-P-C4' energy: -87.457
flat angles P-C4'-P energy: -54.232
tors. eta vs tors. theta energy: -46.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -471.828872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.828872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.828872 (E_RNA)
where:
Base-Base interactions energy: -164.030
where: short stacking energy: -136.637
Base-Backbone interact. energy: -1.933
local terms energy: -305.865751
where:
bonds (distance) C4'-P energy: -81.052
bonds (distance) P-C4' energy: -102.576
flat angles C4'-P-C4' energy: -83.577
flat angles P-C4'-P energy: -54.419
tors. eta vs tors. theta energy: 15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -442.776828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.776828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.776828 (E_RNA)
where:
Base-Base interactions energy: -151.948
where: short stacking energy: -103.301
Base-Backbone interact. energy: -0.263
local terms energy: -290.565690
where:
bonds (distance) C4'-P energy: -82.295
bonds (distance) P-C4' energy: -109.798
flat angles C4'-P-C4' energy: -87.142
flat angles P-C4'-P energy: -54.911
tors. eta vs tors. theta energy: 43.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2035.775038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.775038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.775038 (E_RNA)
where:
Base-Base interactions energy: -1408.735
where: short stacking energy: -595.697
Base-Backbone interact. energy: -1.292
local terms energy: -625.748148
where:
bonds (distance) C4'-P energy: -119.138
bonds (distance) P-C4' energy: -112.478
flat angles C4'-P-C4' energy: -136.043
flat angles P-C4'-P energy: -94.730
tors. eta vs tors. theta energy: -163.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1832.799796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.799796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.799796 (E_RNA)
where:
Base-Base interactions energy: -1251.894
where: short stacking energy: -538.736
Base-Backbone interact. energy: -4.898
local terms energy: -576.007272
where:
bonds (distance) C4'-P energy: -103.312
bonds (distance) P-C4' energy: -121.401
flat angles C4'-P-C4' energy: -121.744
flat angles P-C4'-P energy: -90.036
tors. eta vs tors. theta energy: -139.514
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: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1734.982015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.982015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.982015 (E_RNA)
where:
Base-Base interactions energy: -1191.273
where: short stacking energy: -499.009
Base-Backbone interact. energy: -3.171
local terms energy: -540.537911
where:
bonds (distance) C4'-P energy: -113.468
bonds (distance) P-C4' energy: -99.966
flat angles C4'-P-C4' energy: -121.474
flat angles P-C4'-P energy: -72.419
tors. eta vs tors. theta energy: -133.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1606.396226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.396226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.396226 (E_RNA)
where:
Base-Base interactions energy: -1080.953
where: short stacking energy: -455.524
Base-Backbone interact. energy: -3.900
local terms energy: -521.543229
where:
bonds (distance) C4'-P energy: -111.797
bonds (distance) P-C4' energy: -113.006
flat angles C4'-P-C4' energy: -134.065
flat angles P-C4'-P energy: -67.860
tors. eta vs tors. theta energy: -94.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1569.647878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.647878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.647878 (E_RNA)
where:
Base-Base interactions energy: -1040.944
where: short stacking energy: -449.230
Base-Backbone interact. energy: -1.022
local terms energy: -527.682747
where:
bonds (distance) C4'-P energy: -111.496
bonds (distance) P-C4' energy: -113.691
flat angles C4'-P-C4' energy: -118.721
flat angles P-C4'-P energy: -70.080
tors. eta vs tors. theta energy: -113.694
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: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1353.964016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.964016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.964016 (E_RNA)
where:
Base-Base interactions energy: -890.175
where: short stacking energy: -413.942
Base-Backbone interact. energy: -0.747
local terms energy: -463.041869
where:
bonds (distance) C4'-P energy: -96.183
bonds (distance) P-C4' energy: -98.234
flat angles C4'-P-C4' energy: -96.953
flat angles P-C4'-P energy: -67.044
tors. eta vs tors. theta energy: -104.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1161.570951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.570951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.570951 (E_RNA)
where:
Base-Base interactions energy: -717.572
where: short stacking energy: -301.593
Base-Backbone interact. energy: -0.775
local terms energy: -443.223789
where:
bonds (distance) C4'-P energy: -94.131
bonds (distance) P-C4' energy: -115.213
flat angles C4'-P-C4' energy: -104.727
flat angles P-C4'-P energy: -51.923
tors. eta vs tors. theta energy: -77.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -867.405008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.405008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.405008 (E_RNA)
where:
Base-Base interactions energy: -499.857
where: short stacking energy: -262.126
Base-Backbone interact. energy: -0.153
local terms energy: -367.394376
where:
bonds (distance) C4'-P energy: -85.085
bonds (distance) P-C4' energy: -96.646
flat angles C4'-P-C4' energy: -79.603
flat angles P-C4'-P energy: -69.334
tors. eta vs tors. theta energy: -36.725
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: 105
Temperature: 1.300000
Total energy: -468.446837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.446837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.446837 (E_RNA)
where:
Base-Base interactions energy: -166.323
where: short stacking energy: -138.364
Base-Backbone interact. energy: 5.214
local terms energy: -307.337617
where:
bonds (distance) C4'-P energy: -90.860
bonds (distance) P-C4' energy: -109.101
flat angles C4'-P-C4' energy: -84.182
flat angles P-C4'-P energy: -49.857
tors. eta vs tors. theta energy: 26.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -455.754243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.754243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.754243 (E_RNA)
where:
Base-Base interactions energy: -165.443
where: short stacking energy: -123.201
Base-Backbone interact. energy: 1.857
local terms energy: -292.168759
where:
bonds (distance) C4'-P energy: -103.789
bonds (distance) P-C4' energy: -101.000
flat angles C4'-P-C4' energy: -73.157
flat angles P-C4'-P energy: -36.800
tors. eta vs tors. theta energy: 22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2019.580292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.580292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.580292 (E_RNA)
where:
Base-Base interactions energy: -1401.113
where: short stacking energy: -557.962
Base-Backbone interact. energy: -3.068
local terms energy: -615.400034
where:
bonds (distance) C4'-P energy: -100.407
bonds (distance) P-C4' energy: -118.731
flat angles C4'-P-C4' energy: -131.831
flat angles P-C4'-P energy: -103.425
tors. eta vs tors. theta energy: -161.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1826.754122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.754122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.754122 (E_RNA)
where:
Base-Base interactions energy: -1258.195
where: short stacking energy: -537.657
Base-Backbone interact. energy: -1.754
local terms energy: -566.805182
where:
bonds (distance) C4'-P energy: -109.982
bonds (distance) P-C4' energy: -122.263
flat angles C4'-P-C4' energy: -123.441
flat angles P-C4'-P energy: -80.215
tors. eta vs tors. theta energy: -130.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1782.735790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.735790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.735790 (E_RNA)
where:
Base-Base interactions energy: -1205.791
where: short stacking energy: -497.127
Base-Backbone interact. energy: -0.175
local terms energy: -576.770079
where:
bonds (distance) C4'-P energy: -112.034
bonds (distance) P-C4' energy: -118.336
flat angles C4'-P-C4' energy: -128.870
flat angles P-C4'-P energy: -74.359
tors. eta vs tors. theta energy: -143.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1604.837644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.837644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.837644 (E_RNA)
where:
Base-Base interactions energy: -1092.841
where: short stacking energy: -454.347
Base-Backbone interact. energy: -0.506
local terms energy: -511.490222
where:
bonds (distance) C4'-P energy: -110.445
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -114.714
flat angles P-C4'-P energy: -71.834
tors. eta vs tors. theta energy: -121.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1539.516565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.516565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.516565 (E_RNA)
where:
Base-Base interactions energy: -1022.106
where: short stacking energy: -461.883
Base-Backbone interact. energy: -0.535
local terms energy: -516.875547
where:
bonds (distance) C4'-P energy: -102.368
bonds (distance) P-C4' energy: -111.709
flat angles C4'-P-C4' energy: -115.450
flat angles P-C4'-P energy: -64.925
tors. eta vs tors. theta energy: -122.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1351.665960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.665960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.665960 (E_RNA)
where:
Base-Base interactions energy: -820.931
where: short stacking energy: -383.806
Base-Backbone interact. energy: -1.484
local terms energy: -529.250662
where:
bonds (distance) C4'-P energy: -95.865
bonds (distance) P-C4' energy: -121.614
flat angles C4'-P-C4' energy: -115.373
flat angles P-C4'-P energy: -88.275
tors. eta vs tors. theta energy: -108.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1192.329639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.329639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.329639 (E_RNA)
where:
Base-Base interactions energy: -781.037
where: short stacking energy: -332.611
Base-Backbone interact. energy: 1.809
local terms energy: -413.102053
where:
bonds (distance) C4'-P energy: -94.124
bonds (distance) P-C4' energy: -97.374
flat angles C4'-P-C4' energy: -97.914
flat angles P-C4'-P energy: -60.072
tors. eta vs tors. theta energy: -63.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -866.886834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.886834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.886834 (E_RNA)
where:
Base-Base interactions energy: -535.871
where: short stacking energy: -260.132
Base-Backbone interact. energy: 12.695
local terms energy: -343.710751
where:
bonds (distance) C4'-P energy: -88.867
bonds (distance) P-C4' energy: -91.642
flat angles C4'-P-C4' energy: -88.075
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -30.010
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: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -523.994071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.994071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.994071 (E_RNA)
where:
Base-Base interactions energy: -201.792
where: short stacking energy: -141.063
Base-Backbone interact. energy: 1.773
local terms energy: -323.975885
where:
bonds (distance) C4'-P energy: -102.945
bonds (distance) P-C4' energy: -103.745
flat angles C4'-P-C4' energy: -92.897
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -453.597969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.597969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.597969 (E_RNA)
where:
Base-Base interactions energy: -161.495
where: short stacking energy: -127.619
Base-Backbone interact. energy: 6.555
local terms energy: -298.658299
where:
bonds (distance) C4'-P energy: -105.903
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -66.326
flat angles P-C4'-P energy: -49.262
tors. eta vs tors. theta energy: 13.058
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: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2025.932700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.932700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.932700 (E_RNA)
where:
Base-Base interactions energy: -1392.844
where: short stacking energy: -587.585
Base-Backbone interact. energy: -4.262
local terms energy: -628.826333
where:
bonds (distance) C4'-P energy: -127.202
bonds (distance) P-C4' energy: -112.442
flat angles C4'-P-C4' energy: -128.595
flat angles P-C4'-P energy: -91.207
tors. eta vs tors. theta energy: -169.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1851.157974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.157974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.157974 (E_RNA)
where:
Base-Base interactions energy: -1260.942
where: short stacking energy: -508.113
Base-Backbone interact. energy: -4.132
local terms energy: -586.083676
where:
bonds (distance) C4'-P energy: -120.970
bonds (distance) P-C4' energy: -119.763
flat angles C4'-P-C4' energy: -132.776
flat angles P-C4'-P energy: -76.608
tors. eta vs tors. theta energy: -135.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1791.218644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.218644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.218644 (E_RNA)
where:
Base-Base interactions energy: -1227.898
where: short stacking energy: -544.062
Base-Backbone interact. energy: 0.267
local terms energy: -563.587971
where:
bonds (distance) C4'-P energy: -102.537
bonds (distance) P-C4' energy: -111.530
flat angles C4'-P-C4' energy: -126.982
flat angles P-C4'-P energy: -70.816
tors. eta vs tors. theta energy: -151.723
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: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1642.681610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.681610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.681610 (E_RNA)
where:
Base-Base interactions energy: -1100.828
where: short stacking energy: -476.578
Base-Backbone interact. energy: 0.897
local terms energy: -542.750750
where:
bonds (distance) C4'-P energy: -110.957
bonds (distance) P-C4' energy: -107.769
flat angles C4'-P-C4' energy: -113.834
flat angles P-C4'-P energy: -75.303
tors. eta vs tors. theta energy: -134.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1546.213945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.213945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.213945 (E_RNA)
where:
Base-Base interactions energy: -1021.621
where: short stacking energy: -442.756
Base-Backbone interact. energy: -0.233
local terms energy: -524.360773
where:
bonds (distance) C4'-P energy: -105.346
bonds (distance) P-C4' energy: -101.780
flat angles C4'-P-C4' energy: -118.735
flat angles P-C4'-P energy: -76.427
tors. eta vs tors. theta energy: -122.073
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: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1398.945203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.945203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.945203 (E_RNA)
where:
Base-Base interactions energy: -920.224
where: short stacking energy: -419.279
Base-Backbone interact. energy: -0.475
local terms energy: -478.246206
where:
bonds (distance) C4'-P energy: -96.001
bonds (distance) P-C4' energy: -103.092
flat angles C4'-P-C4' energy: -104.629
flat angles P-C4'-P energy: -70.078
tors. eta vs tors. theta energy: -104.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1137.848346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.848346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.848346 (E_RNA)
where:
Base-Base interactions energy: -731.865
where: short stacking energy: -331.887
Base-Backbone interact. energy: 2.854
local terms energy: -408.837520
where:
bonds (distance) C4'-P energy: -79.196
bonds (distance) P-C4' energy: -110.124
flat angles C4'-P-C4' energy: -100.472
flat angles P-C4'-P energy: -51.447
tors. eta vs tors. theta energy: -67.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -836.572019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.572019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.572019 (E_RNA)
where:
Base-Base interactions energy: -461.508
where: short stacking energy: -259.078
Base-Backbone interact. energy: -4.252
local terms energy: -370.812348
where:
bonds (distance) C4'-P energy: -109.839
bonds (distance) P-C4' energy: -97.024
flat angles C4'-P-C4' energy: -79.447
flat angles P-C4'-P energy: -61.956
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -610.699399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.699399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.699399 (E_RNA)
where:
Base-Base interactions energy: -282.618
where: short stacking energy: -163.835
Base-Backbone interact. energy: 1.100
local terms energy: -329.181204
where:
bonds (distance) C4'-P energy: -88.399
bonds (distance) P-C4' energy: -101.675
flat angles C4'-P-C4' energy: -82.610
flat angles P-C4'-P energy: -60.630
tors. eta vs tors. theta energy: 4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -440.764933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.764933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.764933 (E_RNA)
where:
Base-Base interactions energy: -145.845
where: short stacking energy: -125.412
Base-Backbone interact. energy: 2.427
local terms energy: -297.347038
where:
bonds (distance) C4'-P energy: -90.842
bonds (distance) P-C4' energy: -104.230
flat angles C4'-P-C4' energy: -67.920
flat angles P-C4'-P energy: -49.982
tors. eta vs tors. theta energy: 15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2004.850010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.850010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.850010 (E_RNA)
where:
Base-Base interactions energy: -1378.598
where: short stacking energy: -603.391
Base-Backbone interact. energy: -2.472
local terms energy: -623.780647
where:
bonds (distance) C4'-P energy: -122.838
bonds (distance) P-C4' energy: -107.606
flat angles C4'-P-C4' energy: -135.414
flat angles P-C4'-P energy: -77.174
tors. eta vs tors. theta energy: -180.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1856.713402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.713402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.713402 (E_RNA)
where:
Base-Base interactions energy: -1288.697
where: short stacking energy: -530.792
Base-Backbone interact. energy: -3.002
local terms energy: -565.014332
where:
bonds (distance) C4'-P energy: -109.640
bonds (distance) P-C4' energy: -118.356
flat angles C4'-P-C4' energy: -122.987
flat angles P-C4'-P energy: -79.471
tors. eta vs tors. theta energy: -134.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1815.361545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.361545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.361545 (E_RNA)
where:
Base-Base interactions energy: -1237.207
where: short stacking energy: -527.255
Base-Backbone interact. energy: 1.947
local terms energy: -580.101963
where:
bonds (distance) C4'-P energy: -117.702
bonds (distance) P-C4' energy: -122.316
flat angles C4'-P-C4' energy: -119.081
flat angles P-C4'-P energy: -80.781
tors. eta vs tors. theta energy: -140.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1668.745938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.745938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.745938 (E_RNA)
where:
Base-Base interactions energy: -1117.034
where: short stacking energy: -509.539
Base-Backbone interact. energy: -1.802
local terms energy: -549.909983
where:
bonds (distance) C4'-P energy: -94.927
bonds (distance) P-C4' energy: -114.673
flat angles C4'-P-C4' energy: -116.622
flat angles P-C4'-P energy: -82.184
tors. eta vs tors. theta energy: -141.504
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: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1566.562259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.562259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.562259 (E_RNA)
where:
Base-Base interactions energy: -1007.539
where: short stacking energy: -478.707
Base-Backbone interact. energy: -2.828
local terms energy: -556.194713
where:
bonds (distance) C4'-P energy: -104.557
bonds (distance) P-C4' energy: -111.790
flat angles C4'-P-C4' energy: -117.046
flat angles P-C4'-P energy: -70.668
tors. eta vs tors. theta energy: -152.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1449.094272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.094272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.094272 (E_RNA)
where:
Base-Base interactions energy: -961.200
where: short stacking energy: -429.009
Base-Backbone interact. energy: -3.148
local terms energy: -484.745486
where:
bonds (distance) C4'-P energy: -95.997
bonds (distance) P-C4' energy: -85.539
flat angles C4'-P-C4' energy: -128.562
flat angles P-C4'-P energy: -69.366
tors. eta vs tors. theta energy: -105.281
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: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1141.947648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.947648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.947648 (E_RNA)
where:
Base-Base interactions energy: -771.296
where: short stacking energy: -339.067
Base-Backbone interact. energy: 2.019
local terms energy: -372.670858
where:
bonds (distance) C4'-P energy: -84.846
bonds (distance) P-C4' energy: -94.292
flat angles C4'-P-C4' energy: -76.882
flat angles P-C4'-P energy: -64.053
tors. eta vs tors. theta energy: -52.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -805.675496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.675496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.675496 (E_RNA)
where:
Base-Base interactions energy: -460.534
where: short stacking energy: -241.508
Base-Backbone interact. energy: -1.798
local terms energy: -343.344149
where:
bonds (distance) C4'-P energy: -96.600
bonds (distance) P-C4' energy: -84.354
flat angles C4'-P-C4' energy: -87.615
flat angles P-C4'-P energy: -60.157
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -630.198775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.198775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.198775 (E_RNA)
where:
Base-Base interactions energy: -295.496
where: short stacking energy: -162.655
Base-Backbone interact. energy: -3.344
local terms energy: -331.359042
where:
bonds (distance) C4'-P energy: -93.542
bonds (distance) P-C4' energy: -94.043
flat angles C4'-P-C4' energy: -86.933
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: 0.703
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: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -439.428154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.428154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.428154 (E_RNA)
where:
Base-Base interactions energy: -182.413
where: short stacking energy: -116.538
Base-Backbone interact. energy: -2.088
local terms energy: -254.927709
where:
bonds (distance) C4'-P energy: -71.654
bonds (distance) P-C4' energy: -99.811
flat angles C4'-P-C4' energy: -67.168
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: 21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2011.210853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.210853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.210853 (E_RNA)
where:
Base-Base interactions energy: -1389.156
where: short stacking energy: -581.338
Base-Backbone interact. energy: -0.675
local terms energy: -621.379873
where:
bonds (distance) C4'-P energy: -113.403
bonds (distance) P-C4' energy: -119.834
flat angles C4'-P-C4' energy: -127.228
flat angles P-C4'-P energy: -89.120
tors. eta vs tors. theta energy: -171.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1862.292022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.292022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.292022 (E_RNA)
where:
Base-Base interactions energy: -1292.263
where: short stacking energy: -543.243
Base-Backbone interact. energy: 0.840
local terms energy: -570.869071
where:
bonds (distance) C4'-P energy: -100.934
bonds (distance) P-C4' energy: -101.610
flat angles C4'-P-C4' energy: -124.012
flat angles P-C4'-P energy: -82.319
tors. eta vs tors. theta energy: -161.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1791.499842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.499842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.499842 (E_RNA)
where:
Base-Base interactions energy: -1236.551
where: short stacking energy: -512.860
Base-Backbone interact. energy: 3.013
local terms energy: -557.961668
where:
bonds (distance) C4'-P energy: -109.162
bonds (distance) P-C4' energy: -121.218
flat angles C4'-P-C4' energy: -117.363
flat angles P-C4'-P energy: -74.894
tors. eta vs tors. theta energy: -135.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1633.756066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.756066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.756066 (E_RNA)
where:
Base-Base interactions energy: -1109.812
where: short stacking energy: -479.536
Base-Backbone interact. energy: 1.181
local terms energy: -525.124468
where:
bonds (distance) C4'-P energy: -85.023
bonds (distance) P-C4' energy: -110.769
flat angles C4'-P-C4' energy: -120.512
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -133.241
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: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1563.034018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.034018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.034018 (E_RNA)
where:
Base-Base interactions energy: -1034.337
where: short stacking energy: -457.149
Base-Backbone interact. energy: -1.140
local terms energy: -527.556672
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -107.716
flat angles C4'-P-C4' energy: -116.321
flat angles P-C4'-P energy: -74.892
tors. eta vs tors. theta energy: -128.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1385.881517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.881517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.881517 (E_RNA)
where:
Base-Base interactions energy: -896.894
where: short stacking energy: -388.087
Base-Backbone interact. energy: -0.189
local terms energy: -488.798713
where:
bonds (distance) C4'-P energy: -112.299
bonds (distance) P-C4' energy: -100.884
flat angles C4'-P-C4' energy: -107.299
flat angles P-C4'-P energy: -63.403
tors. eta vs tors. theta energy: -104.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1145.717887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.717887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.717887 (E_RNA)
where:
Base-Base interactions energy: -725.560
where: short stacking energy: -313.283
Base-Backbone interact. energy: 3.847
local terms energy: -424.004629
where:
bonds (distance) C4'-P energy: -84.581
bonds (distance) P-C4' energy: -103.715
flat angles C4'-P-C4' energy: -107.859
flat angles P-C4'-P energy: -69.136
tors. eta vs tors. theta energy: -58.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -811.541897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.541897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.541897 (E_RNA)
where:
Base-Base interactions energy: -410.941
where: short stacking energy: -208.550
Base-Backbone interact. energy: -0.079
local terms energy: -400.522113
where:
bonds (distance) C4'-P energy: -103.449
bonds (distance) P-C4' energy: -107.018
flat angles C4'-P-C4' energy: -91.847
flat angles P-C4'-P energy: -62.773
tors. eta vs tors. theta energy: -35.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -672.193729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.193729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.193729 (E_RNA)
where:
Base-Base interactions energy: -310.903
where: short stacking energy: -164.218
Base-Backbone interact. energy: 2.998
local terms energy: -364.288740
where:
bonds (distance) C4'-P energy: -96.623
bonds (distance) P-C4' energy: -108.221
flat angles C4'-P-C4' energy: -95.918
flat angles P-C4'-P energy: -52.274
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -459.555880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.555880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.555880 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -132.666
Base-Backbone interact. energy: -0.115
local terms energy: -293.246990
where:
bonds (distance) C4'-P energy: -79.180
bonds (distance) P-C4' energy: -103.756
flat angles C4'-P-C4' energy: -82.973
flat angles P-C4'-P energy: -45.918
tors. eta vs tors. theta energy: 18.580
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: 110
Temperature: 0.900000
Total energy: -2024.867101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.867101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.867101 (E_RNA)
where:
Base-Base interactions energy: -1387.226
where: short stacking energy: -581.894
Base-Backbone interact. energy: -2.325
local terms energy: -635.316617
where:
bonds (distance) C4'-P energy: -124.337
bonds (distance) P-C4' energy: -128.627
flat angles C4'-P-C4' energy: -122.562
flat angles P-C4'-P energy: -87.522
tors. eta vs tors. theta energy: -172.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1869.102056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.102056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.102056 (E_RNA)
where:
Base-Base interactions energy: -1272.545
where: short stacking energy: -544.024
Base-Backbone interact. energy: -0.354
local terms energy: -596.202439
where:
bonds (distance) C4'-P energy: -107.538
bonds (distance) P-C4' energy: -111.175
flat angles C4'-P-C4' energy: -130.280
flat angles P-C4'-P energy: -87.985
tors. eta vs tors. theta energy: -159.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1789.527522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.527522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.527522 (E_RNA)
where:
Base-Base interactions energy: -1232.840
where: short stacking energy: -516.525
Base-Backbone interact. energy: -2.453
local terms energy: -554.234499
where:
bonds (distance) C4'-P energy: -107.272
bonds (distance) P-C4' energy: -110.079
flat angles C4'-P-C4' energy: -107.125
flat angles P-C4'-P energy: -90.756
tors. eta vs tors. theta energy: -139.003
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: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1646.022692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.022692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.022692 (E_RNA)
where:
Base-Base interactions energy: -1126.564
where: short stacking energy: -491.805
Base-Backbone interact. energy: 2.507
local terms energy: -521.965949
where:
bonds (distance) C4'-P energy: -106.522
bonds (distance) P-C4' energy: -103.822
flat angles C4'-P-C4' energy: -122.303
flat angles P-C4'-P energy: -60.470
tors. eta vs tors. theta energy: -128.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1601.900466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.900466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.900466 (E_RNA)
where:
Base-Base interactions energy: -1063.407
where: short stacking energy: -477.542
Base-Backbone interact. energy: -2.274
local terms energy: -536.219600
where:
bonds (distance) C4'-P energy: -102.124
bonds (distance) P-C4' energy: -104.393
flat angles C4'-P-C4' energy: -126.001
flat angles P-C4'-P energy: -70.915
tors. eta vs tors. theta energy: -132.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1370.544421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.544421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.544421 (E_RNA)
where:
Base-Base interactions energy: -904.477
where: short stacking energy: -390.623
Base-Backbone interact. energy: 8.316
local terms energy: -474.383207
where:
bonds (distance) C4'-P energy: -99.498
bonds (distance) P-C4' energy: -90.284
flat angles C4'-P-C4' energy: -110.088
flat angles P-C4'-P energy: -74.544
tors. eta vs tors. theta energy: -99.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1121.840919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.840919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.840919 (E_RNA)
where:
Base-Base interactions energy: -695.288
where: short stacking energy: -316.752
Base-Backbone interact. energy: 2.662
local terms energy: -429.214401
where:
bonds (distance) C4'-P energy: -105.094
bonds (distance) P-C4' energy: -109.497
flat angles C4'-P-C4' energy: -103.025
flat angles P-C4'-P energy: -62.767
tors. eta vs tors. theta energy: -48.831
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: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -819.999482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.999482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.999482 (E_RNA)
where:
Base-Base interactions energy: -439.713
where: short stacking energy: -212.430
Base-Backbone interact. energy: -5.214
local terms energy: -375.072479
where:
bonds (distance) C4'-P energy: -91.527
bonds (distance) P-C4' energy: -111.672
flat angles C4'-P-C4' energy: -106.163
flat angles P-C4'-P energy: -61.558
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -548.419859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.419859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.419859 (E_RNA)
where:
Base-Base interactions energy: -235.693
where: short stacking energy: -155.646
Base-Backbone interact. energy: 6.408
local terms energy: -319.134369
where:
bonds (distance) C4'-P energy: -96.020
bonds (distance) P-C4' energy: -108.411
flat angles C4'-P-C4' energy: -76.611
flat angles P-C4'-P energy: -55.637
tors. eta vs tors. theta energy: 17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -611.956551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.956551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.956551 (E_RNA)
where:
Base-Base interactions energy: -292.255
where: short stacking energy: -176.672
Base-Backbone interact. energy: -0.784
local terms energy: -318.917222
where:
bonds (distance) C4'-P energy: -91.650
bonds (distance) P-C4' energy: -89.468
flat angles C4'-P-C4' energy: -90.040
flat angles P-C4'-P energy: -52.962
tors. eta vs tors. theta energy: 5.202
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: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2021.111404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.111404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.111404 (E_RNA)
where:
Base-Base interactions energy: -1381.124
where: short stacking energy: -569.731
Base-Backbone interact. energy: -1.585
local terms energy: -638.402726
where:
bonds (distance) C4'-P energy: -120.265
bonds (distance) P-C4' energy: -120.674
flat angles C4'-P-C4' energy: -135.069
flat angles P-C4'-P energy: -94.629
tors. eta vs tors. theta energy: -167.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1849.313942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.313942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.313942 (E_RNA)
where:
Base-Base interactions energy: -1260.291
where: short stacking energy: -525.006
Base-Backbone interact. energy: 1.742
local terms energy: -590.765422
where:
bonds (distance) C4'-P energy: -106.778
bonds (distance) P-C4' energy: -119.597
flat angles C4'-P-C4' energy: -133.815
flat angles P-C4'-P energy: -84.829
tors. eta vs tors. theta energy: -145.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1822.847254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.847254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.847254 (E_RNA)
where:
Base-Base interactions energy: -1234.303
where: short stacking energy: -535.992
Base-Backbone interact. energy: 0.709
local terms energy: -589.253125
where:
bonds (distance) C4'-P energy: -105.791
bonds (distance) P-C4' energy: -117.104
flat angles C4'-P-C4' energy: -130.185
flat angles P-C4'-P energy: -83.923
tors. eta vs tors. theta energy: -152.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1657.770674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.770674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.770674 (E_RNA)
where:
Base-Base interactions energy: -1130.447
where: short stacking energy: -468.005
Base-Backbone interact. energy: -1.701
local terms energy: -525.622260
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -107.673
flat angles C4'-P-C4' energy: -114.237
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -119.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1605.455265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.455265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.455265 (E_RNA)
where:
Base-Base interactions energy: -1060.033
where: short stacking energy: -462.743
Base-Backbone interact. energy: -1.556
local terms energy: -543.866315
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -94.643
flat angles C4'-P-C4' energy: -122.293
flat angles P-C4'-P energy: -72.000
tors. eta vs tors. theta energy: -137.370
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: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1352.795039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.795039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.795039 (E_RNA)
where:
Base-Base interactions energy: -879.055
where: short stacking energy: -396.099
Base-Backbone interact. energy: 2.334
local terms energy: -476.073775
where:
bonds (distance) C4'-P energy: -81.663
bonds (distance) P-C4' energy: -110.172
flat angles C4'-P-C4' energy: -113.169
flat angles P-C4'-P energy: -70.034
tors. eta vs tors. theta energy: -101.035
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: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1238.851540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.851540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.851540 (E_RNA)
where:
Base-Base interactions energy: -785.026
where: short stacking energy: -334.269
Base-Backbone interact. energy: -1.979
local terms energy: -451.847115
where:
bonds (distance) C4'-P energy: -96.216
bonds (distance) P-C4' energy: -106.516
flat angles C4'-P-C4' energy: -108.513
flat angles P-C4'-P energy: -71.945
tors. eta vs tors. theta energy: -68.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -825.877200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.877200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.877200 (E_RNA)
where:
Base-Base interactions energy: -488.022
where: short stacking energy: -248.694
Base-Backbone interact. energy: -2.431
local terms energy: -335.424224
where:
bonds (distance) C4'-P energy: -75.147
bonds (distance) P-C4' energy: -93.173
flat angles C4'-P-C4' energy: -87.063
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -33.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -553.465532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.465532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.465532 (E_RNA)
where:
Base-Base interactions energy: -249.919
where: short stacking energy: -162.912
Base-Backbone interact. energy: 2.495
local terms energy: -306.041168
where:
bonds (distance) C4'-P energy: -101.015
bonds (distance) P-C4' energy: -86.527
flat angles C4'-P-C4' energy: -81.653
flat angles P-C4'-P energy: -59.254
tors. eta vs tors. theta energy: 22.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -583.531054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.531054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.531054 (E_RNA)
where:
Base-Base interactions energy: -271.742
where: short stacking energy: -153.599
Base-Backbone interact. energy: -3.070
local terms energy: -308.719385
where:
bonds (distance) C4'-P energy: -86.576
bonds (distance) P-C4' energy: -107.405
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -61.593
tors. eta vs tors. theta energy: 8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1996.002516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.002516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.002516 (E_RNA)
where:
Base-Base interactions energy: -1374.224
where: short stacking energy: -549.253
Base-Backbone interact. energy: -0.475
local terms energy: -621.303140
where:
bonds (distance) C4'-P energy: -111.016
bonds (distance) P-C4' energy: -127.445
flat angles C4'-P-C4' energy: -128.100
flat angles P-C4'-P energy: -92.233
tors. eta vs tors. theta energy: -162.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1865.191533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.191533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.191533 (E_RNA)
where:
Base-Base interactions energy: -1278.738
where: short stacking energy: -540.983
Base-Backbone interact. energy: 0.463
local terms energy: -586.916842
where:
bonds (distance) C4'-P energy: -110.868
bonds (distance) P-C4' energy: -120.961
flat angles C4'-P-C4' energy: -122.546
flat angles P-C4'-P energy: -81.826
tors. eta vs tors. theta energy: -150.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1779.263446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.263446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.263446 (E_RNA)
where:
Base-Base interactions energy: -1232.517
where: short stacking energy: -536.333
Base-Backbone interact. energy: 0.744
local terms energy: -547.490316
where:
bonds (distance) C4'-P energy: -94.516
bonds (distance) P-C4' energy: -102.255
flat angles C4'-P-C4' energy: -123.321
flat angles P-C4'-P energy: -87.480
tors. eta vs tors. theta energy: -139.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1653.110174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.110174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.110174 (E_RNA)
where:
Base-Base interactions energy: -1151.936
where: short stacking energy: -478.426
Base-Backbone interact. energy: -2.730
local terms energy: -498.443788
where:
bonds (distance) C4'-P energy: -91.292
bonds (distance) P-C4' energy: -95.696
flat angles C4'-P-C4' energy: -117.532
flat angles P-C4'-P energy: -74.689
tors. eta vs tors. theta energy: -119.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1618.260372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.260372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.260372 (E_RNA)
where:
Base-Base interactions energy: -1083.326
where: short stacking energy: -493.384
Base-Backbone interact. energy: 3.394
local terms energy: -538.328637
where:
bonds (distance) C4'-P energy: -101.542
bonds (distance) P-C4' energy: -95.651
flat angles C4'-P-C4' energy: -117.819
flat angles P-C4'-P energy: -76.025
tors. eta vs tors. theta energy: -147.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1358.297125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.297125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.297125 (E_RNA)
where:
Base-Base interactions energy: -878.608
where: short stacking energy: -384.045
Base-Backbone interact. energy: -3.975
local terms energy: -475.713951
where:
bonds (distance) C4'-P energy: -86.761
bonds (distance) P-C4' energy: -112.984
flat angles C4'-P-C4' energy: -111.754
flat angles P-C4'-P energy: -62.120
tors. eta vs tors. theta energy: -102.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1272.463947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.463947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.463947 (E_RNA)
where:
Base-Base interactions energy: -816.121
where: short stacking energy: -367.713
Base-Backbone interact. energy: -2.008
local terms energy: -454.334619
where:
bonds (distance) C4'-P energy: -106.380
bonds (distance) P-C4' energy: -81.753
flat angles C4'-P-C4' energy: -109.484
flat angles P-C4'-P energy: -62.181
tors. eta vs tors. theta energy: -94.537
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: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -849.827950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.827950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.827950 (E_RNA)
where:
Base-Base interactions energy: -475.421
where: short stacking energy: -232.220
Base-Backbone interact. energy: -1.414
local terms energy: -372.993521
where:
bonds (distance) C4'-P energy: -97.404
bonds (distance) P-C4' energy: -107.054
flat angles C4'-P-C4' energy: -99.957
flat angles P-C4'-P energy: -50.768
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -597.472232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.472232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.472232 (E_RNA)
where:
Base-Base interactions energy: -270.676
where: short stacking energy: -164.836
Base-Backbone interact. energy: -3.113
local terms energy: -323.683019
where:
bonds (distance) C4'-P energy: -85.823
bonds (distance) P-C4' energy: -99.575
flat angles C4'-P-C4' energy: -79.703
flat angles P-C4'-P energy: -52.045
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -540.575635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.575635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.575635 (E_RNA)
where:
Base-Base interactions energy: -244.150
where: short stacking energy: -134.240
Base-Backbone interact. energy: 0.413
local terms energy: -296.839370
where:
bonds (distance) C4'-P energy: -91.575
bonds (distance) P-C4' energy: -98.070
flat angles C4'-P-C4' energy: -83.678
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: 14.797
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: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2011.691797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.691797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.691797 (E_RNA)
where:
Base-Base interactions energy: -1396.000
where: short stacking energy: -596.451
Base-Backbone interact. energy: -0.561
local terms energy: -615.131304
where:
bonds (distance) C4'-P energy: -124.934
bonds (distance) P-C4' energy: -111.055
flat angles C4'-P-C4' energy: -130.334
flat angles P-C4'-P energy: -81.584
tors. eta vs tors. theta energy: -167.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1840.624036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.624036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.624036 (E_RNA)
where:
Base-Base interactions energy: -1271.447
where: short stacking energy: -531.873
Base-Backbone interact. energy: -2.047
local terms energy: -567.129811
where:
bonds (distance) C4'-P energy: -115.300
bonds (distance) P-C4' energy: -108.937
flat angles C4'-P-C4' energy: -119.862
flat angles P-C4'-P energy: -90.833
tors. eta vs tors. theta energy: -132.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1778.594289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.594289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.594289 (E_RNA)
where:
Base-Base interactions energy: -1197.220
where: short stacking energy: -498.951
Base-Backbone interact. energy: -5.493
local terms energy: -575.881768
where:
bonds (distance) C4'-P energy: -109.412
bonds (distance) P-C4' energy: -108.460
flat angles C4'-P-C4' energy: -120.642
flat angles P-C4'-P energy: -93.367
tors. eta vs tors. theta energy: -144.001
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: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1631.526997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.526997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.526997 (E_RNA)
where:
Base-Base interactions energy: -1092.831
where: short stacking energy: -453.375
Base-Backbone interact. energy: -2.779
local terms energy: -535.916742
where:
bonds (distance) C4'-P energy: -103.140
bonds (distance) P-C4' energy: -107.114
flat angles C4'-P-C4' energy: -123.556
flat angles P-C4'-P energy: -75.284
tors. eta vs tors. theta energy: -126.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1579.447841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.447841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.447841 (E_RNA)
where:
Base-Base interactions energy: -1053.939
where: short stacking energy: -453.144
Base-Backbone interact. energy: 0.542
local terms energy: -526.051112
where:
bonds (distance) C4'-P energy: -105.429
bonds (distance) P-C4' energy: -98.105
flat angles C4'-P-C4' energy: -111.152
flat angles P-C4'-P energy: -76.963
tors. eta vs tors. theta energy: -134.402
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: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1370.450774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.450774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.450774 (E_RNA)
where:
Base-Base interactions energy: -908.558
where: short stacking energy: -405.721
Base-Backbone interact. energy: -1.339
local terms energy: -460.554240
where:
bonds (distance) C4'-P energy: -90.653
bonds (distance) P-C4' energy: -107.058
flat angles C4'-P-C4' energy: -113.122
flat angles P-C4'-P energy: -52.054
tors. eta vs tors. theta energy: -97.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1216.798188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.798188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.798188 (E_RNA)
where:
Base-Base interactions energy: -760.909
where: short stacking energy: -359.801
Base-Backbone interact. energy: 1.510
local terms energy: -457.399856
where:
bonds (distance) C4'-P energy: -109.253
bonds (distance) P-C4' energy: -102.867
flat angles C4'-P-C4' energy: -97.851
flat angles P-C4'-P energy: -64.885
tors. eta vs tors. theta energy: -82.543
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: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -858.203125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.203125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.203125 (E_RNA)
where:
Base-Base interactions energy: -488.069
where: short stacking energy: -241.642
Base-Backbone interact. energy: -0.761
local terms energy: -369.373084
where:
bonds (distance) C4'-P energy: -103.185
bonds (distance) P-C4' energy: -96.813
flat angles C4'-P-C4' energy: -67.532
flat angles P-C4'-P energy: -66.974
tors. eta vs tors. theta energy: -34.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -617.298056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.298056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.298056 (E_RNA)
where:
Base-Base interactions energy: -301.615
where: short stacking energy: -199.665
Base-Backbone interact. energy: -1.614
local terms energy: -314.068865
where:
bonds (distance) C4'-P energy: -69.943
bonds (distance) P-C4' energy: -99.925
flat angles C4'-P-C4' energy: -89.380
flat angles P-C4'-P energy: -52.062
tors. eta vs tors. theta energy: -2.759
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: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -536.827194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.827194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.827194 (E_RNA)
where:
Base-Base interactions energy: -238.511
where: short stacking energy: -164.196
Base-Backbone interact. energy: -0.388
local terms energy: -297.927430
where:
bonds (distance) C4'-P energy: -86.288
bonds (distance) P-C4' energy: -99.870
flat angles C4'-P-C4' energy: -83.679
flat angles P-C4'-P energy: -33.255
tors. eta vs tors. theta energy: 5.165
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: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2008.794551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.794551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.794551 (E_RNA)
where:
Base-Base interactions energy: -1374.287
where: short stacking energy: -571.769
Base-Backbone interact. energy: -1.199
local terms energy: -633.308582
where:
bonds (distance) C4'-P energy: -125.719
bonds (distance) P-C4' energy: -116.845
flat angles C4'-P-C4' energy: -125.550
flat angles P-C4'-P energy: -96.843
tors. eta vs tors. theta energy: -168.351
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: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1844.694034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.694034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.694034 (E_RNA)
where:
Base-Base interactions energy: -1282.246
where: short stacking energy: -532.191
Base-Backbone interact. energy: -5.453
local terms energy: -556.994903
where:
bonds (distance) C4'-P energy: -105.103
bonds (distance) P-C4' energy: -111.186
flat angles C4'-P-C4' energy: -123.213
flat angles P-C4'-P energy: -73.776
tors. eta vs tors. theta energy: -143.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1818.810697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.810697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.810697 (E_RNA)
where:
Base-Base interactions energy: -1239.842
where: short stacking energy: -546.338
Base-Backbone interact. energy: 0.204
local terms energy: -579.173620
where:
bonds (distance) C4'-P energy: -106.613
bonds (distance) P-C4' energy: -108.786
flat angles C4'-P-C4' energy: -129.584
flat angles P-C4'-P energy: -80.431
tors. eta vs tors. theta energy: -153.760
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: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1648.239688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.239688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.239688 (E_RNA)
where:
Base-Base interactions energy: -1130.935
where: short stacking energy: -480.011
Base-Backbone interact. energy: 1.280
local terms energy: -518.584722
where:
bonds (distance) C4'-P energy: -91.248
bonds (distance) P-C4' energy: -108.482
flat angles C4'-P-C4' energy: -130.863
flat angles P-C4'-P energy: -66.534
tors. eta vs tors. theta energy: -121.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1609.081384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.081384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.081384 (E_RNA)
where:
Base-Base interactions energy: -1068.333
where: short stacking energy: -486.585
Base-Backbone interact. energy: -0.634
local terms energy: -540.113993
where:
bonds (distance) C4'-P energy: -107.097
bonds (distance) P-C4' energy: -118.775
flat angles C4'-P-C4' energy: -115.725
flat angles P-C4'-P energy: -72.390
tors. eta vs tors. theta energy: -126.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1412.712332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.712332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.712332 (E_RNA)
where:
Base-Base interactions energy: -914.504
where: short stacking energy: -392.393
Base-Backbone interact. energy: -2.863
local terms energy: -495.344461
where:
bonds (distance) C4'-P energy: -101.649
bonds (distance) P-C4' energy: -117.114
flat angles C4'-P-C4' energy: -111.061
flat angles P-C4'-P energy: -78.056
tors. eta vs tors. theta energy: -87.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1152.704295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.704295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.704295 (E_RNA)
where:
Base-Base interactions energy: -746.055
where: short stacking energy: -336.698
Base-Backbone interact. energy: 2.791
local terms energy: -409.440441
where:
bonds (distance) C4'-P energy: -95.566
bonds (distance) P-C4' energy: -88.186
flat angles C4'-P-C4' energy: -96.744
flat angles P-C4'-P energy: -58.187
tors. eta vs tors. theta energy: -70.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -880.441595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.441595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.441595 (E_RNA)
where:
Base-Base interactions energy: -521.347
where: short stacking energy: -252.178
Base-Backbone interact. energy: 0.157
local terms energy: -359.251391
where:
bonds (distance) C4'-P energy: -89.972
bonds (distance) P-C4' energy: -111.039
flat angles C4'-P-C4' energy: -77.143
flat angles P-C4'-P energy: -52.237
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -633.223341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.223341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.223341 (E_RNA)
where:
Base-Base interactions energy: -287.018
where: short stacking energy: -166.529
Base-Backbone interact. energy: 0.016
local terms energy: -346.221564
where:
bonds (distance) C4'-P energy: -85.449
bonds (distance) P-C4' energy: -106.855
flat angles C4'-P-C4' energy: -101.442
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -11.273
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: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -562.782803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.782803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.782803 (E_RNA)
where:
Base-Base interactions energy: -251.733
where: short stacking energy: -172.486
Base-Backbone interact. energy: -0.729
local terms energy: -310.321640
where:
bonds (distance) C4'-P energy: -90.094
bonds (distance) P-C4' energy: -99.024
flat angles C4'-P-C4' energy: -94.865
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: 16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1999.196384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.196384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.196384 (E_RNA)
where:
Base-Base interactions energy: -1382.700
where: short stacking energy: -585.806
Base-Backbone interact. energy: -6.434
local terms energy: -610.061442
where:
bonds (distance) C4'-P energy: -103.140
bonds (distance) P-C4' energy: -115.127
flat angles C4'-P-C4' energy: -140.563
flat angles P-C4'-P energy: -87.942
tors. eta vs tors. theta energy: -163.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1898.477560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.477560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.477560 (E_RNA)
where:
Base-Base interactions energy: -1304.537
where: short stacking energy: -545.556
Base-Backbone interact. energy: 1.550
local terms energy: -595.490713
where:
bonds (distance) C4'-P energy: -116.387
bonds (distance) P-C4' energy: -125.795
flat angles C4'-P-C4' energy: -132.111
flat angles P-C4'-P energy: -78.046
tors. eta vs tors. theta energy: -143.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1772.046727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.046727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.046727 (E_RNA)
where:
Base-Base interactions energy: -1217.841
where: short stacking energy: -508.360
Base-Backbone interact. energy: -2.370
local terms energy: -551.835920
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -120.961
flat angles C4'-P-C4' energy: -119.667
flat angles P-C4'-P energy: -73.648
tors. eta vs tors. theta energy: -135.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1666.526635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.526635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.526635 (E_RNA)
where:
Base-Base interactions energy: -1137.539
where: short stacking energy: -470.388
Base-Backbone interact. energy: -1.317
local terms energy: -527.670643
where:
bonds (distance) C4'-P energy: -104.557
bonds (distance) P-C4' energy: -105.319
flat angles C4'-P-C4' energy: -112.739
flat angles P-C4'-P energy: -80.676
tors. eta vs tors. theta energy: -124.379
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: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1568.238596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.238596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.238596 (E_RNA)
where:
Base-Base interactions energy: -1049.700
where: short stacking energy: -464.264
Base-Backbone interact. energy: -2.173
local terms energy: -516.365352
where:
bonds (distance) C4'-P energy: -109.150
bonds (distance) P-C4' energy: -93.640
flat angles C4'-P-C4' energy: -119.967
flat angles P-C4'-P energy: -72.559
tors. eta vs tors. theta energy: -121.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1385.248764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.248764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.248764 (E_RNA)
where:
Base-Base interactions energy: -903.796
where: short stacking energy: -388.756
Base-Backbone interact. energy: -2.036
local terms energy: -479.417408
where:
bonds (distance) C4'-P energy: -96.664
bonds (distance) P-C4' energy: -105.002
flat angles C4'-P-C4' energy: -112.392
flat angles P-C4'-P energy: -65.729
tors. eta vs tors. theta energy: -99.630
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: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1166.226634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.226634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.226634 (E_RNA)
where:
Base-Base interactions energy: -737.947
where: short stacking energy: -338.208
Base-Backbone interact. energy: -0.212
local terms energy: -428.066800
where:
bonds (distance) C4'-P energy: -95.355
bonds (distance) P-C4' energy: -96.139
flat angles C4'-P-C4' energy: -97.223
flat angles P-C4'-P energy: -70.302
tors. eta vs tors. theta energy: -69.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -842.833552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.833552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.833552 (E_RNA)
where:
Base-Base interactions energy: -478.718
where: short stacking energy: -227.371
Base-Backbone interact. energy: 5.300
local terms energy: -369.415614
where:
bonds (distance) C4'-P energy: -86.809
bonds (distance) P-C4' energy: -100.091
flat angles C4'-P-C4' energy: -98.960
flat angles P-C4'-P energy: -60.390
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -660.658417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.658417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.658417 (E_RNA)
where:
Base-Base interactions energy: -316.780
where: short stacking energy: -185.711
Base-Backbone interact. energy: 0.065
local terms energy: -343.943178
where:
bonds (distance) C4'-P energy: -101.711
bonds (distance) P-C4' energy: -93.752
flat angles C4'-P-C4' energy: -80.425
flat angles P-C4'-P energy: -58.748
tors. eta vs tors. theta energy: -9.307
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: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -537.427584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.427584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.427584 (E_RNA)
where:
Base-Base interactions energy: -235.300
where: short stacking energy: -155.195
Base-Backbone interact. energy: -2.882
local terms energy: -299.245347
where:
bonds (distance) C4'-P energy: -81.797
bonds (distance) P-C4' energy: -103.449
flat angles C4'-P-C4' energy: -64.987
flat angles P-C4'-P energy: -49.668
tors. eta vs tors. theta energy: 0.655
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: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2017.546845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.546845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.546845 (E_RNA)
where:
Base-Base interactions energy: -1364.416
where: short stacking energy: -571.950
Base-Backbone interact. energy: -2.896
local terms energy: -650.234748
where:
bonds (distance) C4'-P energy: -130.942
bonds (distance) P-C4' energy: -121.122
flat angles C4'-P-C4' energy: -130.227
flat angles P-C4'-P energy: -97.127
tors. eta vs tors. theta energy: -170.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1871.642355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.642355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.642355 (E_RNA)
where:
Base-Base interactions energy: -1310.394
where: short stacking energy: -504.738
Base-Backbone interact. energy: 0.959
local terms energy: -562.207206
where:
bonds (distance) C4'-P energy: -102.985
bonds (distance) P-C4' energy: -111.055
flat angles C4'-P-C4' energy: -126.545
flat angles P-C4'-P energy: -89.309
tors. eta vs tors. theta energy: -132.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1792.819523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.819523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.819523 (E_RNA)
where:
Base-Base interactions energy: -1232.963
where: short stacking energy: -513.267
Base-Backbone interact. energy: -1.671
local terms energy: -558.185420
where:
bonds (distance) C4'-P energy: -105.607
bonds (distance) P-C4' energy: -108.618
flat angles C4'-P-C4' energy: -128.653
flat angles P-C4'-P energy: -75.849
tors. eta vs tors. theta energy: -139.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1682.546333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.546333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.546333 (E_RNA)
where:
Base-Base interactions energy: -1139.522
where: short stacking energy: -469.899
Base-Backbone interact. energy: -2.020
local terms energy: -541.003677
where:
bonds (distance) C4'-P energy: -110.579
bonds (distance) P-C4' energy: -109.958
flat angles C4'-P-C4' energy: -120.933
flat angles P-C4'-P energy: -71.909
tors. eta vs tors. theta energy: -127.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1583.938578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.938578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.938578 (E_RNA)
where:
Base-Base interactions energy: -1034.933
where: short stacking energy: -461.310
Base-Backbone interact. energy: -2.141
local terms energy: -546.864238
where:
bonds (distance) C4'-P energy: -96.482
bonds (distance) P-C4' energy: -116.719
flat angles C4'-P-C4' energy: -132.278
flat angles P-C4'-P energy: -66.450
tors. eta vs tors. theta energy: -134.935
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1460.072142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.072142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.072142 (E_RNA)
where:
Base-Base interactions energy: -935.207
where: short stacking energy: -414.123
Base-Backbone interact. energy: 0.770
local terms energy: -525.635563
where:
bonds (distance) C4'-P energy: -104.037
bonds (distance) P-C4' energy: -115.297
flat angles C4'-P-C4' energy: -121.691
flat angles P-C4'-P energy: -74.250
tors. eta vs tors. theta energy: -110.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1139.249126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.249126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.249126 (E_RNA)
where:
Base-Base interactions energy: -704.201
where: short stacking energy: -322.424
Base-Backbone interact. energy: -2.036
local terms energy: -433.011799
where:
bonds (distance) C4'-P energy: -99.189
bonds (distance) P-C4' energy: -98.261
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -61.088
tors. eta vs tors. theta energy: -74.696
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: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -931.090642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.090642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.090642 (E_RNA)
where:
Base-Base interactions energy: -546.866
where: short stacking energy: -238.236
Base-Backbone interact. energy: -3.293
local terms energy: -380.931602
where:
bonds (distance) C4'-P energy: -100.884
bonds (distance) P-C4' energy: -92.716
flat angles C4'-P-C4' energy: -110.272
flat angles P-C4'-P energy: -53.875
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -661.246894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.246894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.246894 (E_RNA)
where:
Base-Base interactions energy: -305.535
where: short stacking energy: -178.454
Base-Backbone interact. energy: 2.107
local terms energy: -357.819104
where:
bonds (distance) C4'-P energy: -92.735
bonds (distance) P-C4' energy: -93.992
flat angles C4'-P-C4' energy: -98.174
flat angles P-C4'-P energy: -43.432
tors. eta vs tors. theta energy: -29.486
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: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -489.382898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.382898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.382898 (E_RNA)
where:
Base-Base interactions energy: -205.857
where: short stacking energy: -155.436
Base-Backbone interact. energy: 2.073
local terms energy: -285.598887
where:
bonds (distance) C4'-P energy: -85.613
bonds (distance) P-C4' energy: -103.960
flat angles C4'-P-C4' energy: -81.917
flat angles P-C4'-P energy: -32.661
tors. eta vs tors. theta energy: 18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2004.068382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.068382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.068382 (E_RNA)
where:
Base-Base interactions energy: -1379.171
where: short stacking energy: -587.365
Base-Backbone interact. energy: -2.325
local terms energy: -622.572237
where:
bonds (distance) C4'-P energy: -108.068
bonds (distance) P-C4' energy: -122.713
flat angles C4'-P-C4' energy: -129.837
flat angles P-C4'-P energy: -96.707
tors. eta vs tors. theta energy: -165.247
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: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1870.793533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.793533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.793533 (E_RNA)
where:
Base-Base interactions energy: -1292.019
where: short stacking energy: -515.779
Base-Backbone interact. energy: -3.631
local terms energy: -575.143694
where:
bonds (distance) C4'-P energy: -112.437
bonds (distance) P-C4' energy: -118.433
flat angles C4'-P-C4' energy: -131.147
flat angles P-C4'-P energy: -87.144
tors. eta vs tors. theta energy: -125.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1763.316075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.316075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.316075 (E_RNA)
where:
Base-Base interactions energy: -1188.570
where: short stacking energy: -514.143
Base-Backbone interact. energy: -1.821
local terms energy: -572.924667
where:
bonds (distance) C4'-P energy: -101.712
bonds (distance) P-C4' energy: -122.830
flat angles C4'-P-C4' energy: -124.316
flat angles P-C4'-P energy: -82.881
tors. eta vs tors. theta energy: -141.186
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: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1658.949200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.949200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.949200 (E_RNA)
where:
Base-Base interactions energy: -1105.644
where: short stacking energy: -470.430
Base-Backbone interact. energy: -1.870
local terms energy: -551.435885
where:
bonds (distance) C4'-P energy: -106.167
bonds (distance) P-C4' energy: -114.302
flat angles C4'-P-C4' energy: -120.288
flat angles P-C4'-P energy: -78.254
tors. eta vs tors. theta energy: -132.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1565.445383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.445383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.445383 (E_RNA)
where:
Base-Base interactions energy: -1039.701
where: short stacking energy: -468.923
Base-Backbone interact. energy: -0.674
local terms energy: -525.070424
where:
bonds (distance) C4'-P energy: -110.314
bonds (distance) P-C4' energy: -103.709
flat angles C4'-P-C4' energy: -106.083
flat angles P-C4'-P energy: -69.972
tors. eta vs tors. theta energy: -134.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1398.419785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.419785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.419785 (E_RNA)
where:
Base-Base interactions energy: -915.816
where: short stacking energy: -396.217
Base-Backbone interact. energy: 0.742
local terms energy: -483.345980
where:
bonds (distance) C4'-P energy: -94.807
bonds (distance) P-C4' energy: -100.624
flat angles C4'-P-C4' energy: -127.885
flat angles P-C4'-P energy: -64.641
tors. eta vs tors. theta energy: -95.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1176.463723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.463723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.463723 (E_RNA)
where:
Base-Base interactions energy: -705.981
where: short stacking energy: -331.527
Base-Backbone interact. energy: -0.192
local terms energy: -470.290974
where:
bonds (distance) C4'-P energy: -116.385
bonds (distance) P-C4' energy: -107.750
flat angles C4'-P-C4' energy: -111.345
flat angles P-C4'-P energy: -57.107
tors. eta vs tors. theta energy: -77.704
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: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -959.877631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.877631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.877631 (E_RNA)
where:
Base-Base interactions energy: -576.317
where: short stacking energy: -241.729
Base-Backbone interact. energy: 1.433
local terms energy: -384.993718
where:
bonds (distance) C4'-P energy: -94.385
bonds (distance) P-C4' energy: -113.853
flat angles C4'-P-C4' energy: -99.912
flat angles P-C4'-P energy: -54.142
tors. eta vs tors. theta energy: -22.701
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: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -639.685619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.685619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.685619 (E_RNA)
where:
Base-Base interactions energy: -307.375
where: short stacking energy: -173.698
Base-Backbone interact. energy: 3.048
local terms energy: -335.358862
where:
bonds (distance) C4'-P energy: -96.959
bonds (distance) P-C4' energy: -109.684
flat angles C4'-P-C4' energy: -67.060
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -498.937671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.937671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.937671 (E_RNA)
where:
Base-Base interactions energy: -188.407
where: short stacking energy: -133.420
Base-Backbone interact. energy: 8.707
local terms energy: -319.237412
where:
bonds (distance) C4'-P energy: -100.550
bonds (distance) P-C4' energy: -101.407
flat angles C4'-P-C4' energy: -84.828
flat angles P-C4'-P energy: -53.695
tors. eta vs tors. theta energy: 21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1982.527979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.527979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.527979 (E_RNA)
where:
Base-Base interactions energy: -1359.829
where: short stacking energy: -559.489
Base-Backbone interact. energy: -2.574
local terms energy: -620.124812
where:
bonds (distance) C4'-P energy: -114.652
bonds (distance) P-C4' energy: -117.035
flat angles C4'-P-C4' energy: -134.043
flat angles P-C4'-P energy: -94.127
tors. eta vs tors. theta energy: -160.268
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: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1842.964072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.964072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.964072 (E_RNA)
where:
Base-Base interactions energy: -1260.797
where: short stacking energy: -517.904
Base-Backbone interact. energy: -4.831
local terms energy: -577.336665
where:
bonds (distance) C4'-P energy: -112.068
bonds (distance) P-C4' energy: -115.617
flat angles C4'-P-C4' energy: -124.286
flat angles P-C4'-P energy: -82.540
tors. eta vs tors. theta energy: -142.826
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: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1772.123771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.123771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.123771 (E_RNA)
where:
Base-Base interactions energy: -1200.465
where: short stacking energy: -505.014
Base-Backbone interact. energy: -3.488
local terms energy: -568.170851
where:
bonds (distance) C4'-P energy: -105.419
bonds (distance) P-C4' energy: -122.890
flat angles C4'-P-C4' energy: -124.670
flat angles P-C4'-P energy: -80.457
tors. eta vs tors. theta energy: -134.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1596.380789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.380789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.380789 (E_RNA)
where:
Base-Base interactions energy: -1046.519
where: short stacking energy: -463.844
Base-Backbone interact. energy: -1.171
local terms energy: -548.690706
where:
bonds (distance) C4'-P energy: -114.673
bonds (distance) P-C4' energy: -105.516
flat angles C4'-P-C4' energy: -114.857
flat angles P-C4'-P energy: -92.114
tors. eta vs tors. theta energy: -121.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1567.838256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.838256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.838256 (E_RNA)
where:
Base-Base interactions energy: -1020.978
where: short stacking energy: -466.931
Base-Backbone interact. energy: -0.437
local terms energy: -546.422802
where:
bonds (distance) C4'-P energy: -108.507
bonds (distance) P-C4' energy: -108.337
flat angles C4'-P-C4' energy: -115.587
flat angles P-C4'-P energy: -79.140
tors. eta vs tors. theta energy: -134.852
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: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1399.077226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.077226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.077226 (E_RNA)
where:
Base-Base interactions energy: -918.438
where: short stacking energy: -394.834
Base-Backbone interact. energy: -0.649
local terms energy: -479.989611
where:
bonds (distance) C4'-P energy: -91.084
bonds (distance) P-C4' energy: -104.976
flat angles C4'-P-C4' energy: -123.971
flat angles P-C4'-P energy: -70.619
tors. eta vs tors. theta energy: -89.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1129.535406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.535406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.535406 (E_RNA)
where:
Base-Base interactions energy: -693.667
where: short stacking energy: -308.191
Base-Backbone interact. energy: 1.536
local terms energy: -437.404432
where:
bonds (distance) C4'-P energy: -113.206
bonds (distance) P-C4' energy: -103.940
flat angles C4'-P-C4' energy: -80.855
flat angles P-C4'-P energy: -74.871
tors. eta vs tors. theta energy: -64.533
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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -974.837266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.837266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.837266 (E_RNA)
where:
Base-Base interactions energy: -596.402
where: short stacking energy: -291.319
Base-Backbone interact. energy: -0.733
local terms energy: -377.702682
where:
bonds (distance) C4'-P energy: -89.192
bonds (distance) P-C4' energy: -101.331
flat angles C4'-P-C4' energy: -86.497
flat angles P-C4'-P energy: -59.951
tors. eta vs tors. theta energy: -40.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -576.983635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.983635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.983635 (E_RNA)
where:
Base-Base interactions energy: -273.351
where: short stacking energy: -173.447
Base-Backbone interact. energy: 5.271
local terms energy: -308.903674
where:
bonds (distance) C4'-P energy: -100.946
bonds (distance) P-C4' energy: -77.253
flat angles C4'-P-C4' energy: -90.321
flat angles P-C4'-P energy: -46.191
tors. eta vs tors. theta energy: 5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -528.694776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.694776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.694776 (E_RNA)
where:
Base-Base interactions energy: -208.183
where: short stacking energy: -131.664
Base-Backbone interact. energy: 2.424
local terms energy: -322.936323
where:
bonds (distance) C4'-P energy: -94.759
bonds (distance) P-C4' energy: -96.897
flat angles C4'-P-C4' energy: -84.510
flat angles P-C4'-P energy: -57.490
tors. eta vs tors. theta energy: 10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1964.418036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.418036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.418036 (E_RNA)
where:
Base-Base interactions energy: -1349.397
where: short stacking energy: -543.670
Base-Backbone interact. energy: -2.943
local terms energy: -612.078036
where:
bonds (distance) C4'-P energy: -108.944
bonds (distance) P-C4' energy: -126.363
flat angles C4'-P-C4' energy: -137.717
flat angles P-C4'-P energy: -81.685
tors. eta vs tors. theta energy: -157.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1860.775470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.775470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.775470 (E_RNA)
where:
Base-Base interactions energy: -1274.801
where: short stacking energy: -509.947
Base-Backbone interact. energy: -5.394
local terms energy: -580.581010
where:
bonds (distance) C4'-P energy: -114.717
bonds (distance) P-C4' energy: -113.758
flat angles C4'-P-C4' energy: -130.263
flat angles P-C4'-P energy: -91.798
tors. eta vs tors. theta energy: -130.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1752.484471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.484471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.484471 (E_RNA)
where:
Base-Base interactions energy: -1170.447
where: short stacking energy: -487.270
Base-Backbone interact. energy: -3.385
local terms energy: -578.652132
where:
bonds (distance) C4'-P energy: -127.142
bonds (distance) P-C4' energy: -111.662
flat angles C4'-P-C4' energy: -122.478
flat angles P-C4'-P energy: -74.618
tors. eta vs tors. theta energy: -142.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1616.366093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.366093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.366093 (E_RNA)
where:
Base-Base interactions energy: -1092.569
where: short stacking energy: -476.051
Base-Backbone interact. energy: -2.846
local terms energy: -520.951158
where:
bonds (distance) C4'-P energy: -113.265
bonds (distance) P-C4' energy: -93.417
flat angles C4'-P-C4' energy: -122.709
flat angles P-C4'-P energy: -63.968
tors. eta vs tors. theta energy: -127.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1531.295049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.295049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.295049 (E_RNA)
where:
Base-Base interactions energy: -992.786
where: short stacking energy: -429.099
Base-Backbone interact. energy: -3.261
local terms energy: -535.248513
where:
bonds (distance) C4'-P energy: -96.008
bonds (distance) P-C4' energy: -114.386
flat angles C4'-P-C4' energy: -128.838
flat angles P-C4'-P energy: -72.338
tors. eta vs tors. theta energy: -123.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1434.274109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.274109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.274109 (E_RNA)
where:
Base-Base interactions energy: -953.234
where: short stacking energy: -405.791
Base-Backbone interact. energy: -1.844
local terms energy: -479.197036
where:
bonds (distance) C4'-P energy: -100.008
bonds (distance) P-C4' energy: -102.664
flat angles C4'-P-C4' energy: -115.173
flat angles P-C4'-P energy: -59.055
tors. eta vs tors. theta energy: -102.296
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: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1132.844494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.844494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.844494 (E_RNA)
where:
Base-Base interactions energy: -711.625
where: short stacking energy: -315.211
Base-Backbone interact. energy: -0.155
local terms energy: -421.064775
where:
bonds (distance) C4'-P energy: -96.079
bonds (distance) P-C4' energy: -81.628
flat angles C4'-P-C4' energy: -110.537
flat angles P-C4'-P energy: -71.381
tors. eta vs tors. theta energy: -61.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1009.598184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.598184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.598184 (E_RNA)
where:
Base-Base interactions energy: -614.400
where: short stacking energy: -271.159
Base-Backbone interact. energy: 6.544
local terms energy: -401.741898
where:
bonds (distance) C4'-P energy: -94.290
bonds (distance) P-C4' energy: -98.745
flat angles C4'-P-C4' energy: -115.913
flat angles P-C4'-P energy: -45.705
tors. eta vs tors. theta energy: -47.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -566.212776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.212776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.212776 (E_RNA)
where:
Base-Base interactions energy: -269.479
where: short stacking energy: -168.740
Base-Backbone interact. energy: -2.807
local terms energy: -293.926931
where:
bonds (distance) C4'-P energy: -82.504
bonds (distance) P-C4' energy: -92.697
flat angles C4'-P-C4' energy: -72.377
flat angles P-C4'-P energy: -58.447
tors. eta vs tors. theta energy: 12.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -519.053769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.053769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.053769 (E_RNA)
where:
Base-Base interactions energy: -234.200
where: short stacking energy: -127.503
Base-Backbone interact. energy: 3.896
local terms energy: -288.749872
where:
bonds (distance) C4'-P energy: -77.528
bonds (distance) P-C4' energy: -106.060
flat angles C4'-P-C4' energy: -83.489
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: 19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1995.158219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.158219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.158219 (E_RNA)
where:
Base-Base interactions energy: -1373.160
where: short stacking energy: -571.325
Base-Backbone interact. energy: -4.102
local terms energy: -617.895895
where:
bonds (distance) C4'-P energy: -116.261
bonds (distance) P-C4' energy: -126.417
flat angles C4'-P-C4' energy: -139.693
flat angles P-C4'-P energy: -76.207
tors. eta vs tors. theta energy: -159.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1827.207554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.207554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.207554 (E_RNA)
where:
Base-Base interactions energy: -1251.112
where: short stacking energy: -512.559
Base-Backbone interact. energy: -0.353
local terms energy: -575.742284
where:
bonds (distance) C4'-P energy: -115.875
bonds (distance) P-C4' energy: -120.153
flat angles C4'-P-C4' energy: -123.965
flat angles P-C4'-P energy: -78.231
tors. eta vs tors. theta energy: -137.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1732.417356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.417356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.417356 (E_RNA)
where:
Base-Base interactions energy: -1167.127
where: short stacking energy: -505.435
Base-Backbone interact. energy: 0.600
local terms energy: -565.891129
where:
bonds (distance) C4'-P energy: -110.283
bonds (distance) P-C4' energy: -109.691
flat angles C4'-P-C4' energy: -116.898
flat angles P-C4'-P energy: -95.146
tors. eta vs tors. theta energy: -133.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1705.007119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.007119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.007119 (E_RNA)
where:
Base-Base interactions energy: -1137.220
where: short stacking energy: -504.666
Base-Backbone interact. energy: -5.170
local terms energy: -562.617270
where:
bonds (distance) C4'-P energy: -106.544
bonds (distance) P-C4' energy: -96.511
flat angles C4'-P-C4' energy: -133.526
flat angles P-C4'-P energy: -78.085
tors. eta vs tors. theta energy: -147.951
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: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1496.546786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.546786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.546786 (E_RNA)
where:
Base-Base interactions energy: -979.782
where: short stacking energy: -445.682
Base-Backbone interact. energy: -1.217
local terms energy: -515.547689
where:
bonds (distance) C4'-P energy: -96.083
bonds (distance) P-C4' energy: -114.900
flat angles C4'-P-C4' energy: -116.941
flat angles P-C4'-P energy: -65.386
tors. eta vs tors. theta energy: -122.238
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: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1462.769475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.769475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.769475 (E_RNA)
where:
Base-Base interactions energy: -962.222
where: short stacking energy: -431.104
Base-Backbone interact. energy: -1.993
local terms energy: -498.554246
where:
bonds (distance) C4'-P energy: -87.974
bonds (distance) P-C4' energy: -111.168
flat angles C4'-P-C4' energy: -108.071
flat angles P-C4'-P energy: -65.455
tors. eta vs tors. theta energy: -125.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1160.057115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.057115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.057115 (E_RNA)
where:
Base-Base interactions energy: -739.208
where: short stacking energy: -333.438
Base-Backbone interact. energy: -0.931
local terms energy: -419.918699
where:
bonds (distance) C4'-P energy: -96.767
bonds (distance) P-C4' energy: -100.453
flat angles C4'-P-C4' energy: -106.906
flat angles P-C4'-P energy: -55.843
tors. eta vs tors. theta energy: -59.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1016.561080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.561080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.561080 (E_RNA)
where:
Base-Base interactions energy: -589.310
where: short stacking energy: -278.895
Base-Backbone interact. energy: -0.397
local terms energy: -426.854293
where:
bonds (distance) C4'-P energy: -103.466
bonds (distance) P-C4' energy: -107.118
flat angles C4'-P-C4' energy: -90.410
flat angles P-C4'-P energy: -71.935
tors. eta vs tors. theta energy: -53.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -512.631264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.631264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.631264 (E_RNA)
where:
Base-Base interactions energy: -195.788
where: short stacking energy: -153.409
Base-Backbone interact. energy: -0.713
local terms energy: -316.130567
where:
bonds (distance) C4'-P energy: -87.078
bonds (distance) P-C4' energy: -112.890
flat angles C4'-P-C4' energy: -76.065
flat angles P-C4'-P energy: -45.402
tors. eta vs tors. theta energy: 5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -529.264834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.264834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.264834 (E_RNA)
where:
Base-Base interactions energy: -224.535
where: short stacking energy: -151.292
Base-Backbone interact. energy: 0.431
local terms energy: -305.160761
where:
bonds (distance) C4'-P energy: -94.051
bonds (distance) P-C4' energy: -89.712
flat angles C4'-P-C4' energy: -95.250
flat angles P-C4'-P energy: -43.739
tors. eta vs tors. theta energy: 17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1975.254390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.254390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.254390 (E_RNA)
where:
Base-Base interactions energy: -1371.250
where: short stacking energy: -552.693
Base-Backbone interact. energy: -3.631
local terms energy: -600.373966
where:
bonds (distance) C4'-P energy: -109.161
bonds (distance) P-C4' energy: -117.595
flat angles C4'-P-C4' energy: -123.163
flat angles P-C4'-P energy: -89.230
tors. eta vs tors. theta energy: -161.225
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: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1851.422319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.422319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.422319 (E_RNA)
where:
Base-Base interactions energy: -1262.394
where: short stacking energy: -515.675
Base-Backbone interact. energy: -2.067
local terms energy: -586.961210
where:
bonds (distance) C4'-P energy: -118.815
bonds (distance) P-C4' energy: -127.243
flat angles C4'-P-C4' energy: -124.144
flat angles P-C4'-P energy: -85.850
tors. eta vs tors. theta energy: -130.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1749.221689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.221689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.221689 (E_RNA)
where:
Base-Base interactions energy: -1191.911
where: short stacking energy: -511.127
Base-Backbone interact. energy: -2.290
local terms energy: -555.020966
where:
bonds (distance) C4'-P energy: -94.223
bonds (distance) P-C4' energy: -108.782
flat angles C4'-P-C4' energy: -130.586
flat angles P-C4'-P energy: -74.398
tors. eta vs tors. theta energy: -147.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1643.529030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.529030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.529030 (E_RNA)
where:
Base-Base interactions energy: -1089.047
where: short stacking energy: -470.314
Base-Backbone interact. energy: -1.749
local terms energy: -552.732920
where:
bonds (distance) C4'-P energy: -107.180
bonds (distance) P-C4' energy: -117.656
flat angles C4'-P-C4' energy: -113.196
flat angles P-C4'-P energy: -69.305
tors. eta vs tors. theta energy: -145.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1509.981018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.981018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.981018 (E_RNA)
where:
Base-Base interactions energy: -1013.535
where: short stacking energy: -450.962
Base-Backbone interact. energy: -2.400
local terms energy: -494.046200
where:
bonds (distance) C4'-P energy: -101.959
bonds (distance) P-C4' energy: -111.375
flat angles C4'-P-C4' energy: -88.116
flat angles P-C4'-P energy: -71.029
tors. eta vs tors. theta energy: -121.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1457.393257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.393257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.393257 (E_RNA)
where:
Base-Base interactions energy: -981.097
where: short stacking energy: -409.385
Base-Backbone interact. energy: -1.463
local terms energy: -474.833956
where:
bonds (distance) C4'-P energy: -94.702
bonds (distance) P-C4' energy: -83.191
flat angles C4'-P-C4' energy: -108.671
flat angles P-C4'-P energy: -67.363
tors. eta vs tors. theta energy: -120.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1191.952712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.952712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.952712 (E_RNA)
where:
Base-Base interactions energy: -725.523
where: short stacking energy: -342.491
Base-Backbone interact. energy: 2.002
local terms energy: -468.431447
where:
bonds (distance) C4'-P energy: -99.001
bonds (distance) P-C4' energy: -103.448
flat angles C4'-P-C4' energy: -102.309
flat angles P-C4'-P energy: -76.965
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: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -949.300413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.300413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.300413 (E_RNA)
where:
Base-Base interactions energy: -562.876
where: short stacking energy: -271.050
Base-Backbone interact. energy: -3.044
local terms energy: -383.380610
where:
bonds (distance) C4'-P energy: -93.257
bonds (distance) P-C4' energy: -97.724
flat angles C4'-P-C4' energy: -98.604
flat angles P-C4'-P energy: -66.487
tors. eta vs tors. theta energy: -27.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -551.152686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.152686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.152686 (E_RNA)
where:
Base-Base interactions energy: -258.681
where: short stacking energy: -147.791
Base-Backbone interact. energy: 3.685
local terms energy: -296.156685
where:
bonds (distance) C4'-P energy: -96.279
bonds (distance) P-C4' energy: -99.881
flat angles C4'-P-C4' energy: -68.775
flat angles P-C4'-P energy: -33.273
tors. eta vs tors. theta energy: 2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -579.692670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.692670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.692670 (E_RNA)
where:
Base-Base interactions energy: -252.087
where: short stacking energy: -160.380
Base-Backbone interact. energy: -3.685
local terms energy: -323.920775
where:
bonds (distance) C4'-P energy: -100.525
bonds (distance) P-C4' energy: -93.042
flat angles C4'-P-C4' energy: -83.641
flat angles P-C4'-P energy: -45.966
tors. eta vs tors. theta energy: -0.746
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: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1989.189650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.189650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.189650 (E_RNA)
where:
Base-Base interactions energy: -1372.381
where: short stacking energy: -580.000
Base-Backbone interact. energy: -1.456
local terms energy: -615.351962
where:
bonds (distance) C4'-P energy: -110.356
bonds (distance) P-C4' energy: -119.975
flat angles C4'-P-C4' energy: -136.425
flat angles P-C4'-P energy: -84.677
tors. eta vs tors. theta energy: -163.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1851.233440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.233440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.233440 (E_RNA)
where:
Base-Base interactions energy: -1281.614
where: short stacking energy: -526.955
Base-Backbone interact. energy: -3.900
local terms energy: -565.719547
where:
bonds (distance) C4'-P energy: -109.171
bonds (distance) P-C4' energy: -111.497
flat angles C4'-P-C4' energy: -129.134
flat angles P-C4'-P energy: -77.174
tors. eta vs tors. theta energy: -138.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1785.199672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.199672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.199672 (E_RNA)
where:
Base-Base interactions energy: -1226.319
where: short stacking energy: -517.705
Base-Backbone interact. energy: -1.631
local terms energy: -557.249769
where:
bonds (distance) C4'-P energy: -112.090
bonds (distance) P-C4' energy: -102.640
flat angles C4'-P-C4' energy: -116.106
flat angles P-C4'-P energy: -83.258
tors. eta vs tors. theta energy: -143.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1649.878340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.878340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.878340 (E_RNA)
where:
Base-Base interactions energy: -1125.246
where: short stacking energy: -496.619
Base-Backbone interact. energy: 0.428
local terms energy: -525.060279
where:
bonds (distance) C4'-P energy: -102.917
bonds (distance) P-C4' energy: -98.772
flat angles C4'-P-C4' energy: -107.018
flat angles P-C4'-P energy: -76.993
tors. eta vs tors. theta energy: -139.361
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: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1533.217073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.217073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.217073 (E_RNA)
where:
Base-Base interactions energy: -1003.654
where: short stacking energy: -448.268
Base-Backbone interact. energy: -3.455
local terms energy: -526.108562
where:
bonds (distance) C4'-P energy: -102.474
bonds (distance) P-C4' energy: -108.733
flat angles C4'-P-C4' energy: -120.792
flat angles P-C4'-P energy: -67.462
tors. eta vs tors. theta energy: -126.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1492.017471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.017471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.017471 (E_RNA)
where:
Base-Base interactions energy: -978.699
where: short stacking energy: -433.440
Base-Backbone interact. energy: 4.813
local terms energy: -518.131108
where:
bonds (distance) C4'-P energy: -112.703
bonds (distance) P-C4' energy: -100.303
flat angles C4'-P-C4' energy: -122.692
flat angles P-C4'-P energy: -69.508
tors. eta vs tors. theta energy: -112.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1249.276870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.276870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.276870 (E_RNA)
where:
Base-Base interactions energy: -789.227
where: short stacking energy: -368.449
Base-Backbone interact. energy: -1.221
local terms energy: -458.828989
where:
bonds (distance) C4'-P energy: -101.597
bonds (distance) P-C4' energy: -97.905
flat angles C4'-P-C4' energy: -119.043
flat angles P-C4'-P energy: -61.245
tors. eta vs tors. theta energy: -79.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -890.406053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.406053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.406053 (E_RNA)
where:
Base-Base interactions energy: -513.260
where: short stacking energy: -242.854
Base-Backbone interact. energy: 1.767
local terms energy: -378.913486
where:
bonds (distance) C4'-P energy: -101.286
bonds (distance) P-C4' energy: -100.376
flat angles C4'-P-C4' energy: -83.403
flat angles P-C4'-P energy: -62.101
tors. eta vs tors. theta energy: -31.746
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: 122
Temperature: 1.300000
Total energy: -561.259561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.259561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.259561 (E_RNA)
where:
Base-Base interactions energy: -255.252
where: short stacking energy: -163.365
Base-Backbone interact. energy: -1.719
local terms energy: -304.288209
where:
bonds (distance) C4'-P energy: -102.243
bonds (distance) P-C4' energy: -90.132
flat angles C4'-P-C4' energy: -79.365
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: 11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -543.499300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.499300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.499300 (E_RNA)
where:
Base-Base interactions energy: -235.641
where: short stacking energy: -170.530
Base-Backbone interact. energy: -2.267
local terms energy: -305.591078
where:
bonds (distance) C4'-P energy: -93.939
bonds (distance) P-C4' energy: -98.350
flat angles C4'-P-C4' energy: -76.928
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1979.181130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.181130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.181130 (E_RNA)
where:
Base-Base interactions energy: -1348.575
where: short stacking energy: -549.116
Base-Backbone interact. energy: 1.491
local terms energy: -632.096876
where:
bonds (distance) C4'-P energy: -122.657
bonds (distance) P-C4' energy: -120.802
flat angles C4'-P-C4' energy: -138.705
flat angles P-C4'-P energy: -89.373
tors. eta vs tors. theta energy: -160.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1871.508844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.508844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.508844 (E_RNA)
where:
Base-Base interactions energy: -1302.704
where: short stacking energy: -521.420
Base-Backbone interact. energy: 1.944
local terms energy: -570.748724
where:
bonds (distance) C4'-P energy: -112.047
bonds (distance) P-C4' energy: -101.431
flat angles C4'-P-C4' energy: -124.317
flat angles P-C4'-P energy: -86.197
tors. eta vs tors. theta energy: -146.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1752.733093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.733093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.733093 (E_RNA)
where:
Base-Base interactions energy: -1201.590
where: short stacking energy: -518.542
Base-Backbone interact. energy: -0.642
local terms energy: -550.500810
where:
bonds (distance) C4'-P energy: -112.000
bonds (distance) P-C4' energy: -95.207
flat angles C4'-P-C4' energy: -128.385
flat angles P-C4'-P energy: -69.412
tors. eta vs tors. theta energy: -145.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1658.925372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.925372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.925372 (E_RNA)
where:
Base-Base interactions energy: -1088.844
where: short stacking energy: -492.253
Base-Backbone interact. energy: -0.848
local terms energy: -569.233213
where:
bonds (distance) C4'-P energy: -112.423
bonds (distance) P-C4' energy: -111.176
flat angles C4'-P-C4' energy: -129.034
flat angles P-C4'-P energy: -78.035
tors. eta vs tors. theta energy: -138.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1522.143753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.143753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.143753 (E_RNA)
where:
Base-Base interactions energy: -1013.843
where: short stacking energy: -431.209
Base-Backbone interact. energy: 0.683
local terms energy: -508.983972
where:
bonds (distance) C4'-P energy: -117.017
bonds (distance) P-C4' energy: -105.063
flat angles C4'-P-C4' energy: -118.026
flat angles P-C4'-P energy: -61.239
tors. eta vs tors. theta energy: -107.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1503.933253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.933253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.933253 (E_RNA)
where:
Base-Base interactions energy: -951.531
where: short stacking energy: -408.540
Base-Backbone interact. energy: -1.446
local terms energy: -550.956428
where:
bonds (distance) C4'-P energy: -114.555
bonds (distance) P-C4' energy: -106.270
flat angles C4'-P-C4' energy: -109.765
flat angles P-C4'-P energy: -93.035
tors. eta vs tors. theta energy: -127.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1231.558365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.558365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.558365 (E_RNA)
where:
Base-Base interactions energy: -782.500
where: short stacking energy: -349.627
Base-Backbone interact. energy: 3.849
local terms energy: -452.907334
where:
bonds (distance) C4'-P energy: -94.460
bonds (distance) P-C4' energy: -112.402
flat angles C4'-P-C4' energy: -102.711
flat angles P-C4'-P energy: -61.461
tors. eta vs tors. theta energy: -81.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -909.493570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.493570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.493570 (E_RNA)
where:
Base-Base interactions energy: -515.280
where: short stacking energy: -284.305
Base-Backbone interact. energy: -1.471
local terms energy: -392.742921
where:
bonds (distance) C4'-P energy: -83.892
bonds (distance) P-C4' energy: -98.875
flat angles C4'-P-C4' energy: -93.509
flat angles P-C4'-P energy: -59.418
tors. eta vs tors. theta energy: -57.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -498.202393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.202393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.202393 (E_RNA)
where:
Base-Base interactions energy: -180.603
where: short stacking energy: -133.941
Base-Backbone interact. energy: -3.800
local terms energy: -313.799149
where:
bonds (distance) C4'-P energy: -80.620
bonds (distance) P-C4' energy: -102.045
flat angles C4'-P-C4' energy: -103.520
flat angles P-C4'-P energy: -45.293
tors. eta vs tors. theta energy: 17.678
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: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -467.588098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.588098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.588098 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -115.824
Base-Backbone interact. energy: -0.693
local terms energy: -332.609241
where:
bonds (distance) C4'-P energy: -83.467
bonds (distance) P-C4' energy: -100.917
flat angles C4'-P-C4' energy: -96.438
flat angles P-C4'-P energy: -61.470
tors. eta vs tors. theta energy: 9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2023.621904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.621904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.621904 (E_RNA)
where:
Base-Base interactions energy: -1393.336
where: short stacking energy: -583.632
Base-Backbone interact. energy: -2.081
local terms energy: -628.204736
where:
bonds (distance) C4'-P energy: -110.910
bonds (distance) P-C4' energy: -130.338
flat angles C4'-P-C4' energy: -126.645
flat angles P-C4'-P energy: -95.673
tors. eta vs tors. theta energy: -164.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1907.166774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.166774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.166774 (E_RNA)
where:
Base-Base interactions energy: -1304.996
where: short stacking energy: -543.216
Base-Backbone interact. energy: -2.148
local terms energy: -600.022998
where:
bonds (distance) C4'-P energy: -118.077
bonds (distance) P-C4' energy: -123.486
flat angles C4'-P-C4' energy: -131.223
flat angles P-C4'-P energy: -72.757
tors. eta vs tors. theta energy: -154.481
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: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1760.436006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.436006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.436006 (E_RNA)
where:
Base-Base interactions energy: -1187.657
where: short stacking energy: -511.723
Base-Backbone interact. energy: -0.406
local terms energy: -572.372737
where:
bonds (distance) C4'-P energy: -92.201
bonds (distance) P-C4' energy: -119.192
flat angles C4'-P-C4' energy: -121.669
flat angles P-C4'-P energy: -92.535
tors. eta vs tors. theta energy: -146.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1684.019942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.019942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.019942 (E_RNA)
where:
Base-Base interactions energy: -1128.580
where: short stacking energy: -529.776
Base-Backbone interact. energy: -1.858
local terms energy: -553.581693
where:
bonds (distance) C4'-P energy: -96.115
bonds (distance) P-C4' energy: -101.969
flat angles C4'-P-C4' energy: -135.972
flat angles P-C4'-P energy: -61.168
tors. eta vs tors. theta energy: -158.357
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: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1629.365961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.365961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.365961 (E_RNA)
where:
Base-Base interactions energy: -1074.268
where: short stacking energy: -454.417
Base-Backbone interact. energy: -0.991
local terms energy: -554.107047
where:
bonds (distance) C4'-P energy: -106.974
bonds (distance) P-C4' energy: -108.489
flat angles C4'-P-C4' energy: -135.927
flat angles P-C4'-P energy: -72.223
tors. eta vs tors. theta energy: -130.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1393.052713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.052713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.052713 (E_RNA)
where:
Base-Base interactions energy: -899.009
where: short stacking energy: -375.942
Base-Backbone interact. energy: -2.163
local terms energy: -491.880507
where:
bonds (distance) C4'-P energy: -114.671
bonds (distance) P-C4' energy: -106.751
flat angles C4'-P-C4' energy: -105.778
flat angles P-C4'-P energy: -66.371
tors. eta vs tors. theta energy: -98.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1218.410937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.410937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.410937 (E_RNA)
where:
Base-Base interactions energy: -770.547
where: short stacking energy: -348.787
Base-Backbone interact. energy: 2.166
local terms energy: -450.030118
where:
bonds (distance) C4'-P energy: -105.028
bonds (distance) P-C4' energy: -104.617
flat angles C4'-P-C4' energy: -102.608
flat angles P-C4'-P energy: -58.668
tors. eta vs tors. theta energy: -79.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -891.802040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.802040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.802040 (E_RNA)
where:
Base-Base interactions energy: -482.461
where: short stacking energy: -243.530
Base-Backbone interact. energy: 0.981
local terms energy: -410.321658
where:
bonds (distance) C4'-P energy: -117.378
bonds (distance) P-C4' energy: -102.336
flat angles C4'-P-C4' energy: -97.989
flat angles P-C4'-P energy: -63.636
tors. eta vs tors. theta energy: -28.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -484.825089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.825089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.825089 (E_RNA)
where:
Base-Base interactions energy: -162.476
where: short stacking energy: -147.115
Base-Backbone interact. energy: 0.249
local terms energy: -322.598599
where:
bonds (distance) C4'-P energy: -98.088
bonds (distance) P-C4' energy: -93.151
flat angles C4'-P-C4' energy: -90.386
flat angles P-C4'-P energy: -54.574
tors. eta vs tors. theta energy: 13.600
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: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -453.477924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.477924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.477924 (E_RNA)
where:
Base-Base interactions energy: -140.454
where: short stacking energy: -118.312
Base-Backbone interact. energy: 2.004
local terms energy: -315.027471
where:
bonds (distance) C4'-P energy: -99.757
bonds (distance) P-C4' energy: -100.418
flat angles C4'-P-C4' energy: -93.457
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: 22.137
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: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2036.888933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.888933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.888933 (E_RNA)
where:
Base-Base interactions energy: -1388.828
where: short stacking energy: -578.004
Base-Backbone interact. energy: -0.982
local terms energy: -647.078581
where:
bonds (distance) C4'-P energy: -118.863
bonds (distance) P-C4' energy: -125.436
flat angles C4'-P-C4' energy: -140.253
flat angles P-C4'-P energy: -99.979
tors. eta vs tors. theta energy: -162.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1839.409289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.409289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.409289 (E_RNA)
where:
Base-Base interactions energy: -1250.613
where: short stacking energy: -516.885
Base-Backbone interact. energy: -5.041
local terms energy: -583.755888
where:
bonds (distance) C4'-P energy: -125.805
bonds (distance) P-C4' energy: -110.584
flat angles C4'-P-C4' energy: -128.132
flat angles P-C4'-P energy: -84.352
tors. eta vs tors. theta energy: -134.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1763.183223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.183223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.183223 (E_RNA)
where:
Base-Base interactions energy: -1183.166
where: short stacking energy: -501.505
Base-Backbone interact. energy: -3.843
local terms energy: -576.174567
where:
bonds (distance) C4'-P energy: -119.270
bonds (distance) P-C4' energy: -105.841
flat angles C4'-P-C4' energy: -125.190
flat angles P-C4'-P energy: -85.393
tors. eta vs tors. theta energy: -140.481
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: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1644.203773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.203773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.203773 (E_RNA)
where:
Base-Base interactions energy: -1106.695
where: short stacking energy: -507.657
Base-Backbone interact. energy: 0.025
local terms energy: -537.534131
where:
bonds (distance) C4'-P energy: -86.334
bonds (distance) P-C4' energy: -116.527
flat angles C4'-P-C4' energy: -116.515
flat angles P-C4'-P energy: -75.049
tors. eta vs tors. theta energy: -143.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1583.615323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.615323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.615323 (E_RNA)
where:
Base-Base interactions energy: -1054.414
where: short stacking energy: -469.651
Base-Backbone interact. energy: -1.859
local terms energy: -527.342322
where:
bonds (distance) C4'-P energy: -90.485
bonds (distance) P-C4' energy: -104.439
flat angles C4'-P-C4' energy: -117.599
flat angles P-C4'-P energy: -84.624
tors. eta vs tors. theta energy: -130.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1430.177865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.177865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.177865 (E_RNA)
where:
Base-Base interactions energy: -928.911
where: short stacking energy: -411.701
Base-Backbone interact. energy: 1.668
local terms energy: -502.935267
where:
bonds (distance) C4'-P energy: -102.266
bonds (distance) P-C4' energy: -118.267
flat angles C4'-P-C4' energy: -111.082
flat angles P-C4'-P energy: -66.086
tors. eta vs tors. theta energy: -105.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1206.327368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.327368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.327368 (E_RNA)
where:
Base-Base interactions energy: -756.221
where: short stacking energy: -354.163
Base-Backbone interact. energy: -2.445
local terms energy: -447.661629
where:
bonds (distance) C4'-P energy: -111.489
bonds (distance) P-C4' energy: -99.718
flat angles C4'-P-C4' energy: -87.953
flat angles P-C4'-P energy: -82.091
tors. eta vs tors. theta energy: -66.411
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: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -871.210198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.210198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.210198 (E_RNA)
where:
Base-Base interactions energy: -495.352
where: short stacking energy: -243.769
Base-Backbone interact. energy: 1.681
local terms energy: -377.539091
where:
bonds (distance) C4'-P energy: -85.283
bonds (distance) P-C4' energy: -103.991
flat angles C4'-P-C4' energy: -96.777
flat angles P-C4'-P energy: -60.224
tors. eta vs tors. theta energy: -31.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -493.438333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.438333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.438333 (E_RNA)
where:
Base-Base interactions energy: -172.226
where: short stacking energy: -137.412
Base-Backbone interact. energy: -1.419
local terms energy: -319.793922
where:
bonds (distance) C4'-P energy: -93.342
bonds (distance) P-C4' energy: -113.082
flat angles C4'-P-C4' energy: -77.757
flat angles P-C4'-P energy: -40.964
tors. eta vs tors. theta energy: 5.350
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: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -433.853242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.853242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.853242 (E_RNA)
where:
Base-Base interactions energy: -146.351
where: short stacking energy: -140.158
Base-Backbone interact. energy: -2.058
local terms energy: -285.444179
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -119.706
flat angles C4'-P-C4' energy: -79.232
flat angles P-C4'-P energy: -45.288
tors. eta vs tors. theta energy: 9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2019.877878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.877878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.877878 (E_RNA)
where:
Base-Base interactions energy: -1401.627
where: short stacking energy: -556.087
Base-Backbone interact. energy: -3.162
local terms energy: -615.088822
where:
bonds (distance) C4'-P energy: -113.567
bonds (distance) P-C4' energy: -116.160
flat angles C4'-P-C4' energy: -131.274
flat angles P-C4'-P energy: -83.949
tors. eta vs tors. theta energy: -170.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1862.216120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.216120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.216120 (E_RNA)
where:
Base-Base interactions energy: -1298.299
where: short stacking energy: -532.799
Base-Backbone interact. energy: -0.500
local terms energy: -563.417031
where:
bonds (distance) C4'-P energy: -113.900
bonds (distance) P-C4' energy: -119.668
flat angles C4'-P-C4' energy: -119.194
flat angles P-C4'-P energy: -70.366
tors. eta vs tors. theta energy: -140.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1735.831811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.831811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.831811 (E_RNA)
where:
Base-Base interactions energy: -1161.810
where: short stacking energy: -491.721
Base-Backbone interact. energy: -1.776
local terms energy: -572.246197
where:
bonds (distance) C4'-P energy: -110.957
bonds (distance) P-C4' energy: -109.924
flat angles C4'-P-C4' energy: -132.393
flat angles P-C4'-P energy: -77.039
tors. eta vs tors. theta energy: -141.932
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: 126
Temperature: 1.050000
Total energy: -1651.976139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.976139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.976139 (E_RNA)
where:
Base-Base interactions energy: -1076.465
where: short stacking energy: -484.691
Base-Backbone interact. energy: -2.731
local terms energy: -572.780011
where:
bonds (distance) C4'-P energy: -118.973
bonds (distance) P-C4' energy: -110.980
flat angles C4'-P-C4' energy: -122.896
flat angles P-C4'-P energy: -77.547
tors. eta vs tors. theta energy: -142.384
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: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1567.357008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.357008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.357008 (E_RNA)
where:
Base-Base interactions energy: -1047.676
where: short stacking energy: -458.771
Base-Backbone interact. energy: 1.100
local terms energy: -520.780648
where:
bonds (distance) C4'-P energy: -102.516
bonds (distance) P-C4' energy: -107.752
flat angles C4'-P-C4' energy: -110.905
flat angles P-C4'-P energy: -76.905
tors. eta vs tors. theta energy: -122.703
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: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1428.173725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.173725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.173725 (E_RNA)
where:
Base-Base interactions energy: -928.827
where: short stacking energy: -409.963
Base-Backbone interact. energy: -1.200
local terms energy: -498.147001
where:
bonds (distance) C4'-P energy: -99.404
bonds (distance) P-C4' energy: -104.527
flat angles C4'-P-C4' energy: -116.024
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -116.014
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: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1137.202638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.202638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.202638 (E_RNA)
where:
Base-Base interactions energy: -718.873
where: short stacking energy: -331.444
Base-Backbone interact. energy: -0.517
local terms energy: -417.812847
where:
bonds (distance) C4'-P energy: -90.896
bonds (distance) P-C4' energy: -89.250
flat angles C4'-P-C4' energy: -104.838
flat angles P-C4'-P energy: -66.004
tors. eta vs tors. theta energy: -66.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -850.707499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.707499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.707499 (E_RNA)
where:
Base-Base interactions energy: -474.016
where: short stacking energy: -251.272
Base-Backbone interact. energy: 2.336
local terms energy: -379.027647
where:
bonds (distance) C4'-P energy: -98.808
bonds (distance) P-C4' energy: -87.933
flat angles C4'-P-C4' energy: -91.512
flat angles P-C4'-P energy: -67.443
tors. eta vs tors. theta energy: -33.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -534.042187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.042187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.042187 (E_RNA)
where:
Base-Base interactions energy: -214.248
where: short stacking energy: -159.048
Base-Backbone interact. energy: 9.273
local terms energy: -329.066409
where:
bonds (distance) C4'-P energy: -98.069
bonds (distance) P-C4' energy: -101.170
flat angles C4'-P-C4' energy: -81.975
flat angles P-C4'-P energy: -50.209
tors. eta vs tors. theta energy: 2.357
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: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -449.660170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.660170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.660170 (E_RNA)
where:
Base-Base interactions energy: -154.946
where: short stacking energy: -138.799
Base-Backbone interact. energy: 2.094
local terms energy: -296.807797
where:
bonds (distance) C4'-P energy: -89.893
bonds (distance) P-C4' energy: -94.824
flat angles C4'-P-C4' energy: -89.572
flat angles P-C4'-P energy: -48.798
tors. eta vs tors. theta energy: 26.280
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: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2049.296118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.296118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.296118 (E_RNA)
where:
Base-Base interactions energy: -1398.927
where: short stacking energy: -562.543
Base-Backbone interact. energy: 1.198
local terms energy: -651.566410
where:
bonds (distance) C4'-P energy: -115.366
bonds (distance) P-C4' energy: -120.304
flat angles C4'-P-C4' energy: -142.555
flat angles P-C4'-P energy: -97.506
tors. eta vs tors. theta energy: -175.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1854.651660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.651660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.651660 (E_RNA)
where:
Base-Base interactions energy: -1307.076
where: short stacking energy: -512.082
Base-Backbone interact. energy: -0.745
local terms energy: -546.830316
where:
bonds (distance) C4'-P energy: -113.284
bonds (distance) P-C4' energy: -106.118
flat angles C4'-P-C4' energy: -120.849
flat angles P-C4'-P energy: -77.997
tors. eta vs tors. theta energy: -128.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1788.705665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.705665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.705665 (E_RNA)
where:
Base-Base interactions energy: -1232.863
where: short stacking energy: -526.805
Base-Backbone interact. energy: -3.032
local terms energy: -552.810442
where:
bonds (distance) C4'-P energy: -103.001
bonds (distance) P-C4' energy: -100.520
flat angles C4'-P-C4' energy: -123.440
flat angles P-C4'-P energy: -72.261
tors. eta vs tors. theta energy: -153.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1649.002014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.002014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.002014 (E_RNA)
where:
Base-Base interactions energy: -1090.594
where: short stacking energy: -456.095
Base-Backbone interact. energy: 1.580
local terms energy: -559.988145
where:
bonds (distance) C4'-P energy: -108.376
bonds (distance) P-C4' energy: -108.529
flat angles C4'-P-C4' energy: -133.601
flat angles P-C4'-P energy: -80.410
tors. eta vs tors. theta energy: -129.071
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: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1594.972781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.972781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.972781 (E_RNA)
where:
Base-Base interactions energy: -1057.597
where: short stacking energy: -478.615
Base-Backbone interact. energy: -1.202
local terms energy: -536.173605
where:
bonds (distance) C4'-P energy: -109.665
bonds (distance) P-C4' energy: -97.561
flat angles C4'-P-C4' energy: -123.333
flat angles P-C4'-P energy: -72.420
tors. eta vs tors. theta energy: -133.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1395.553690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.553690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.553690 (E_RNA)
where:
Base-Base interactions energy: -899.762
where: short stacking energy: -394.492
Base-Backbone interact. energy: -0.297
local terms energy: -495.494361
where:
bonds (distance) C4'-P energy: -107.542
bonds (distance) P-C4' energy: -92.987
flat angles C4'-P-C4' energy: -115.111
flat angles P-C4'-P energy: -69.759
tors. eta vs tors. theta energy: -110.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1197.928424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.928424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.928424 (E_RNA)
where:
Base-Base interactions energy: -764.479
where: short stacking energy: -358.392
Base-Backbone interact. energy: 2.351
local terms energy: -435.800340
where:
bonds (distance) C4'-P energy: -93.355
bonds (distance) P-C4' energy: -101.376
flat angles C4'-P-C4' energy: -104.874
flat angles P-C4'-P energy: -64.843
tors. eta vs tors. theta energy: -71.354
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: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -840.395851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.395851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.395851 (E_RNA)
where:
Base-Base interactions energy: -485.771
where: short stacking energy: -241.820
Base-Backbone interact. energy: -2.650
local terms energy: -351.974209
where:
bonds (distance) C4'-P energy: -89.627
bonds (distance) P-C4' energy: -112.192
flat angles C4'-P-C4' energy: -85.558
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -14.940
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: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -545.960234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.960234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.960234 (E_RNA)
where:
Base-Base interactions energy: -236.152
where: short stacking energy: -139.106
Base-Backbone interact. energy: -2.272
local terms energy: -307.536658
where:
bonds (distance) C4'-P energy: -88.892
bonds (distance) P-C4' energy: -97.355
flat angles C4'-P-C4' energy: -87.637
flat angles P-C4'-P energy: -51.038
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: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -447.378744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.378744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.378744 (E_RNA)
where:
Base-Base interactions energy: -158.405
where: short stacking energy: -152.067
Base-Backbone interact. energy: 1.141
local terms energy: -290.115683
where:
bonds (distance) C4'-P energy: -88.887
bonds (distance) P-C4' energy: -107.648
flat angles C4'-P-C4' energy: -71.429
flat angles P-C4'-P energy: -48.915
tors. eta vs tors. theta energy: 26.764
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: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1993.714698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.714698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.714698 (E_RNA)
where:
Base-Base interactions energy: -1374.128
where: short stacking energy: -581.382
Base-Backbone interact. energy: -4.942
local terms energy: -614.644059
where:
bonds (distance) C4'-P energy: -106.704
bonds (distance) P-C4' energy: -127.165
flat angles C4'-P-C4' energy: -127.923
flat angles P-C4'-P energy: -78.114
tors. eta vs tors. theta energy: -174.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1896.623419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.623419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.623419 (E_RNA)
where:
Base-Base interactions energy: -1304.441
where: short stacking energy: -560.210
Base-Backbone interact. energy: 2.138
local terms energy: -594.320332
where:
bonds (distance) C4'-P energy: -120.099
bonds (distance) P-C4' energy: -119.879
flat angles C4'-P-C4' energy: -140.359
flat angles P-C4'-P energy: -73.355
tors. eta vs tors. theta energy: -140.629
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: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1788.403934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.403934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.403934 (E_RNA)
where:
Base-Base interactions energy: -1225.845
where: short stacking energy: -519.559
Base-Backbone interact. energy: -0.176
local terms energy: -562.383273
where:
bonds (distance) C4'-P energy: -104.034
bonds (distance) P-C4' energy: -111.563
flat angles C4'-P-C4' energy: -118.586
flat angles P-C4'-P energy: -83.406
tors. eta vs tors. theta energy: -144.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1682.815855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.815855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.815855 (E_RNA)
where:
Base-Base interactions energy: -1106.870
where: short stacking energy: -473.143
Base-Backbone interact. energy: -1.378
local terms energy: -574.568081
where:
bonds (distance) C4'-P energy: -90.474
bonds (distance) P-C4' energy: -130.198
flat angles C4'-P-C4' energy: -132.843
flat angles P-C4'-P energy: -75.697
tors. eta vs tors. theta energy: -145.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1593.735443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.735443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.735443 (E_RNA)
where:
Base-Base interactions energy: -1045.856
where: short stacking energy: -479.629
Base-Backbone interact. energy: -0.864
local terms energy: -547.016266
where:
bonds (distance) C4'-P energy: -96.733
bonds (distance) P-C4' energy: -100.244
flat angles C4'-P-C4' energy: -134.986
flat angles P-C4'-P energy: -79.939
tors. eta vs tors. theta energy: -135.114
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: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1472.175751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.175751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.175751 (E_RNA)
where:
Base-Base interactions energy: -957.586
where: short stacking energy: -427.954
Base-Backbone interact. energy: -1.067
local terms energy: -513.522631
where:
bonds (distance) C4'-P energy: -95.497
bonds (distance) P-C4' energy: -121.476
flat angles C4'-P-C4' energy: -121.409
flat angles P-C4'-P energy: -64.074
tors. eta vs tors. theta energy: -111.067
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: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1262.566198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.566198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.566198 (E_RNA)
where:
Base-Base interactions energy: -810.557
where: short stacking energy: -348.749
Base-Backbone interact. energy: 0.265
local terms energy: -452.274399
where:
bonds (distance) C4'-P energy: -89.483
bonds (distance) P-C4' energy: -96.884
flat angles C4'-P-C4' energy: -110.676
flat angles P-C4'-P energy: -76.112
tors. eta vs tors. theta energy: -79.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -857.025949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.025949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.025949 (E_RNA)
where:
Base-Base interactions energy: -487.331
where: short stacking energy: -272.394
Base-Backbone interact. energy: 1.640
local terms energy: -371.335583
where:
bonds (distance) C4'-P energy: -95.637
bonds (distance) P-C4' energy: -96.662
flat angles C4'-P-C4' energy: -92.387
flat angles P-C4'-P energy: -39.203
tors. eta vs tors. theta energy: -47.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -558.059436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.059436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.059436 (E_RNA)
where:
Base-Base interactions energy: -187.468
where: short stacking energy: -130.203
Base-Backbone interact. energy: 3.367
local terms energy: -373.958182
where:
bonds (distance) C4'-P energy: -116.983
bonds (distance) P-C4' energy: -117.577
flat angles C4'-P-C4' energy: -92.125
flat angles P-C4'-P energy: -52.259
tors. eta vs tors. theta energy: 4.985
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: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -433.026560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.026560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.026560 (E_RNA)
where:
Base-Base interactions energy: -126.816
where: short stacking energy: -119.078
Base-Backbone interact. energy: 1.297
local terms energy: -307.507830
where:
bonds (distance) C4'-P energy: -109.492
bonds (distance) P-C4' energy: -98.831
flat angles C4'-P-C4' energy: -80.861
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: 24.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1998.603467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.603467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.603467 (E_RNA)
where:
Base-Base interactions energy: -1366.643
where: short stacking energy: -558.767
Base-Backbone interact. energy: 1.624
local terms energy: -633.583848
where:
bonds (distance) C4'-P energy: -120.098
bonds (distance) P-C4' energy: -123.803
flat angles C4'-P-C4' energy: -127.649
flat angles P-C4'-P energy: -101.054
tors. eta vs tors. theta energy: -160.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1856.040273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.040273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.040273 (E_RNA)
where:
Base-Base interactions energy: -1275.463
where: short stacking energy: -540.207
Base-Backbone interact. energy: -1.212
local terms energy: -579.365781
where:
bonds (distance) C4'-P energy: -112.746
bonds (distance) P-C4' energy: -114.528
flat angles C4'-P-C4' energy: -132.540
flat angles P-C4'-P energy: -83.493
tors. eta vs tors. theta energy: -136.059
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: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1782.105696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.105696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.105696 (E_RNA)
where:
Base-Base interactions energy: -1206.268
where: short stacking energy: -504.003
Base-Backbone interact. energy: 1.472
local terms energy: -577.310102
where:
bonds (distance) C4'-P energy: -119.304
bonds (distance) P-C4' energy: -114.790
flat angles C4'-P-C4' energy: -120.260
flat angles P-C4'-P energy: -76.059
tors. eta vs tors. theta energy: -146.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1679.891739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.891739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.891739 (E_RNA)
where:
Base-Base interactions energy: -1127.540
where: short stacking energy: -505.762
Base-Backbone interact. energy: -0.418
local terms energy: -551.933961
where:
bonds (distance) C4'-P energy: -98.855
bonds (distance) P-C4' energy: -101.313
flat angles C4'-P-C4' energy: -135.203
flat angles P-C4'-P energy: -74.168
tors. eta vs tors. theta energy: -142.395
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: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1572.827036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.827036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.827036 (E_RNA)
where:
Base-Base interactions energy: -1042.579
where: short stacking energy: -482.656
Base-Backbone interact. energy: -1.446
local terms energy: -528.802424
where:
bonds (distance) C4'-P energy: -95.955
bonds (distance) P-C4' energy: -99.743
flat angles C4'-P-C4' energy: -130.960
flat angles P-C4'-P energy: -65.040
tors. eta vs tors. theta energy: -137.104
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: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1485.197011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.197011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.197011 (E_RNA)
where:
Base-Base interactions energy: -979.322
where: short stacking energy: -443.252
Base-Backbone interact. energy: 3.829
local terms energy: -509.703731
where:
bonds (distance) C4'-P energy: -96.718
bonds (distance) P-C4' energy: -105.825
flat angles C4'-P-C4' energy: -116.358
flat angles P-C4'-P energy: -53.676
tors. eta vs tors. theta energy: -137.127
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: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1248.577767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.577767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.577767 (E_RNA)
where:
Base-Base interactions energy: -775.248
where: short stacking energy: -363.966
Base-Backbone interact. energy: -1.053
local terms energy: -472.277075
where:
bonds (distance) C4'-P energy: -92.430
bonds (distance) P-C4' energy: -99.427
flat angles C4'-P-C4' energy: -122.256
flat angles P-C4'-P energy: -71.262
tors. eta vs tors. theta energy: -86.902
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: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -876.543696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.543696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.543696 (E_RNA)
where:
Base-Base interactions energy: -488.275
where: short stacking energy: -246.059
Base-Backbone interact. energy: -0.576
local terms energy: -387.692622
where:
bonds (distance) C4'-P energy: -99.977
bonds (distance) P-C4' energy: -112.729
flat angles C4'-P-C4' energy: -83.496
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: -41.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -507.566196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.566196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.566196 (E_RNA)
where:
Base-Base interactions energy: -188.148
where: short stacking energy: -150.913
Base-Backbone interact. energy: -2.183
local terms energy: -317.235106
where:
bonds (distance) C4'-P energy: -97.518
bonds (distance) P-C4' energy: -95.336
flat angles C4'-P-C4' energy: -76.908
flat angles P-C4'-P energy: -61.144
tors. eta vs tors. theta energy: 13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -484.832163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.832163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.832163 (E_RNA)
where:
Base-Base interactions energy: -183.755
where: short stacking energy: -130.477
Base-Backbone interact. energy: -2.248
local terms energy: -298.828904
where:
bonds (distance) C4'-P energy: -112.359
bonds (distance) P-C4' energy: -95.785
flat angles C4'-P-C4' energy: -67.543
flat angles P-C4'-P energy: -38.265
tors. eta vs tors. theta energy: 15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2041.334198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.334198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.334198 (E_RNA)
where:
Base-Base interactions energy: -1419.218
where: short stacking energy: -630.205
Base-Backbone interact. energy: -2.251
local terms energy: -619.865212
where:
bonds (distance) C4'-P energy: -106.411
bonds (distance) P-C4' energy: -125.342
flat angles C4'-P-C4' energy: -125.540
flat angles P-C4'-P energy: -90.053
tors. eta vs tors. theta energy: -172.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1883.283474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.283474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.283474 (E_RNA)
where:
Base-Base interactions energy: -1286.585
where: short stacking energy: -539.488
Base-Backbone interact. energy: -2.376
local terms energy: -594.322750
where:
bonds (distance) C4'-P energy: -123.725
bonds (distance) P-C4' energy: -116.797
flat angles C4'-P-C4' energy: -126.900
flat angles P-C4'-P energy: -79.174
tors. eta vs tors. theta energy: -147.727
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: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1801.492286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.492286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.492286 (E_RNA)
where:
Base-Base interactions energy: -1208.244
where: short stacking energy: -523.493
Base-Backbone interact. energy: 7.828
local terms energy: -601.076222
where:
bonds (distance) C4'-P energy: -119.956
bonds (distance) P-C4' energy: -123.833
flat angles C4'-P-C4' energy: -115.291
flat angles P-C4'-P energy: -90.498
tors. eta vs tors. theta energy: -151.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1679.587610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.587610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.587610 (E_RNA)
where:
Base-Base interactions energy: -1123.162
where: short stacking energy: -488.072
Base-Backbone interact. energy: -0.008
local terms energy: -556.418058
where:
bonds (distance) C4'-P energy: -108.847
bonds (distance) P-C4' energy: -105.481
flat angles C4'-P-C4' energy: -116.978
flat angles P-C4'-P energy: -92.048
tors. eta vs tors. theta energy: -133.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1538.723336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.723336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.723336 (E_RNA)
where:
Base-Base interactions energy: -1015.587
where: short stacking energy: -456.359
Base-Backbone interact. energy: -2.005
local terms energy: -521.131191
where:
bonds (distance) C4'-P energy: -92.759
bonds (distance) P-C4' energy: -112.569
flat angles C4'-P-C4' energy: -121.136
flat angles P-C4'-P energy: -66.973
tors. eta vs tors. theta energy: -127.694
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: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1477.270907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.270907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.270907 (E_RNA)
where:
Base-Base interactions energy: -970.812
where: short stacking energy: -411.066
Base-Backbone interact. energy: -2.975
local terms energy: -503.484130
where:
bonds (distance) C4'-P energy: -96.138
bonds (distance) P-C4' energy: -112.045
flat angles C4'-P-C4' energy: -108.846
flat angles P-C4'-P energy: -65.619
tors. eta vs tors. theta energy: -120.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1304.486956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.486956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.486956 (E_RNA)
where:
Base-Base interactions energy: -842.819
where: short stacking energy: -362.523
Base-Backbone interact. energy: 0.303
local terms energy: -461.971730
where:
bonds (distance) C4'-P energy: -110.714
bonds (distance) P-C4' energy: -102.587
flat angles C4'-P-C4' energy: -96.626
flat angles P-C4'-P energy: -68.360
tors. eta vs tors. theta energy: -83.685
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: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -862.922737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.922737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.922737 (E_RNA)
where:
Base-Base interactions energy: -488.596
where: short stacking energy: -236.250
Base-Backbone interact. energy: 1.998
local terms energy: -376.324990
where:
bonds (distance) C4'-P energy: -93.518
bonds (distance) P-C4' energy: -105.902
flat angles C4'-P-C4' energy: -104.901
flat angles P-C4'-P energy: -47.883
tors. eta vs tors. theta energy: -24.120
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: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -542.011793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.011793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.011793 (E_RNA)
where:
Base-Base interactions energy: -208.983
where: short stacking energy: -139.635
Base-Backbone interact. energy: 1.286
local terms energy: -334.314615
where:
bonds (distance) C4'-P energy: -107.605
bonds (distance) P-C4' energy: -96.949
flat angles C4'-P-C4' energy: -78.603
flat angles P-C4'-P energy: -54.192
tors. eta vs tors. theta energy: 3.035
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: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -461.096468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.096468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.096468 (E_RNA)
where:
Base-Base interactions energy: -184.929
where: short stacking energy: -132.957
Base-Backbone interact. energy: 1.249
local terms energy: -277.416926
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -84.833
flat angles C4'-P-C4' energy: -80.390
flat angles P-C4'-P energy: -38.196
tors. eta vs tors. theta energy: 14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2026.473386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.473386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.473386 (E_RNA)
where:
Base-Base interactions energy: -1406.039
where: short stacking energy: -598.148
Base-Backbone interact. energy: -1.118
local terms energy: -619.317102
where:
bonds (distance) C4'-P energy: -110.647
bonds (distance) P-C4' energy: -119.421
flat angles C4'-P-C4' energy: -137.871
flat angles P-C4'-P energy: -83.907
tors. eta vs tors. theta energy: -167.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1903.581170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.581170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.581170 (E_RNA)
where:
Base-Base interactions energy: -1318.235
where: short stacking energy: -549.527
Base-Backbone interact. energy: -1.737
local terms energy: -583.609072
where:
bonds (distance) C4'-P energy: -105.799
bonds (distance) P-C4' energy: -114.824
flat angles C4'-P-C4' energy: -129.118
flat angles P-C4'-P energy: -89.959
tors. eta vs tors. theta energy: -143.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1790.351361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.351361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.351361 (E_RNA)
where:
Base-Base interactions energy: -1184.867
where: short stacking energy: -472.160
Base-Backbone interact. energy: -5.126
local terms energy: -600.358347
where:
bonds (distance) C4'-P energy: -117.577
bonds (distance) P-C4' energy: -122.043
flat angles C4'-P-C4' energy: -129.992
flat angles P-C4'-P energy: -83.027
tors. eta vs tors. theta energy: -147.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1736.522573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.522573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.522573 (E_RNA)
where:
Base-Base interactions energy: -1164.351
where: short stacking energy: -518.834
Base-Backbone interact. energy: -1.709
local terms energy: -570.463021
where:
bonds (distance) C4'-P energy: -116.428
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -107.249
flat angles P-C4'-P energy: -80.056
tors. eta vs tors. theta energy: -163.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1552.777810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.777810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.777810 (E_RNA)
where:
Base-Base interactions energy: -1024.406
where: short stacking energy: -483.755
Base-Backbone interact. energy: -2.729
local terms energy: -525.642722
where:
bonds (distance) C4'-P energy: -103.428
bonds (distance) P-C4' energy: -94.938
flat angles C4'-P-C4' energy: -116.048
flat angles P-C4'-P energy: -66.650
tors. eta vs tors. theta energy: -144.579
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: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1500.742131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.742131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.742131 (E_RNA)
where:
Base-Base interactions energy: -982.440
where: short stacking energy: -407.628
Base-Backbone interact. energy: -1.960
local terms energy: -516.342546
where:
bonds (distance) C4'-P energy: -101.416
bonds (distance) P-C4' energy: -103.836
flat angles C4'-P-C4' energy: -110.054
flat angles P-C4'-P energy: -83.517
tors. eta vs tors. theta energy: -117.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1279.813111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.813111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.813111 (E_RNA)
where:
Base-Base interactions energy: -826.729
where: short stacking energy: -351.718
Base-Backbone interact. energy: -2.138
local terms energy: -450.946492
where:
bonds (distance) C4'-P energy: -105.220
bonds (distance) P-C4' energy: -98.254
flat angles C4'-P-C4' energy: -86.845
flat angles P-C4'-P energy: -78.137
tors. eta vs tors. theta energy: -82.491
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: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -913.653957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.653957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.653957 (E_RNA)
where:
Base-Base interactions energy: -509.472
where: short stacking energy: -258.986
Base-Backbone interact. energy: -1.147
local terms energy: -403.034466
where:
bonds (distance) C4'-P energy: -95.295
bonds (distance) P-C4' energy: -102.483
flat angles C4'-P-C4' energy: -103.488
flat angles P-C4'-P energy: -56.160
tors. eta vs tors. theta energy: -45.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -579.388527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.388527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.388527 (E_RNA)
where:
Base-Base interactions energy: -248.467
where: short stacking energy: -176.238
Base-Backbone interact. energy: -0.676
local terms energy: -330.244963
where:
bonds (distance) C4'-P energy: -99.437
bonds (distance) P-C4' energy: -89.193
flat angles C4'-P-C4' energy: -84.535
flat angles P-C4'-P energy: -55.795
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -447.147571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.147571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.147571 (E_RNA)
where:
Base-Base interactions energy: -150.368
where: short stacking energy: -115.970
Base-Backbone interact. energy: -0.607
local terms energy: -296.172869
where:
bonds (distance) C4'-P energy: -95.327
bonds (distance) P-C4' energy: -99.230
flat angles C4'-P-C4' energy: -79.830
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: 24.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2023.908235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.908235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.908235 (E_RNA)
where:
Base-Base interactions energy: -1384.696
where: short stacking energy: -613.508
Base-Backbone interact. energy: -2.055
local terms energy: -637.156828
where:
bonds (distance) C4'-P energy: -117.552
bonds (distance) P-C4' energy: -116.278
flat angles C4'-P-C4' energy: -135.768
flat angles P-C4'-P energy: -79.868
tors. eta vs tors. theta energy: -187.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1866.582086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.582086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.582086 (E_RNA)
where:
Base-Base interactions energy: -1312.433
where: short stacking energy: -536.602
Base-Backbone interact. energy: -2.609
local terms energy: -551.540202
where:
bonds (distance) C4'-P energy: -99.743
bonds (distance) P-C4' energy: -114.315
flat angles C4'-P-C4' energy: -106.366
flat angles P-C4'-P energy: -87.744
tors. eta vs tors. theta energy: -143.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1767.097298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.097298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.097298 (E_RNA)
where:
Base-Base interactions energy: -1181.581
where: short stacking energy: -499.552
Base-Backbone interact. energy: -1.334
local terms energy: -584.182095
where:
bonds (distance) C4'-P energy: -108.470
bonds (distance) P-C4' energy: -110.780
flat angles C4'-P-C4' energy: -133.618
flat angles P-C4'-P energy: -86.772
tors. eta vs tors. theta energy: -144.543
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: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1746.348054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.348054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.348054 (E_RNA)
where:
Base-Base interactions energy: -1169.832
where: short stacking energy: -541.958
Base-Backbone interact. energy: -1.546
local terms energy: -574.970267
where:
bonds (distance) C4'-P energy: -110.712
bonds (distance) P-C4' energy: -108.064
flat angles C4'-P-C4' energy: -116.823
flat angles P-C4'-P energy: -77.045
tors. eta vs tors. theta energy: -162.327
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: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1595.299380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.299380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.299380 (E_RNA)
where:
Base-Base interactions energy: -1047.689
where: short stacking energy: -473.555
Base-Backbone interact. energy: 1.420
local terms energy: -549.030302
where:
bonds (distance) C4'-P energy: -102.091
bonds (distance) P-C4' energy: -112.776
flat angles C4'-P-C4' energy: -121.395
flat angles P-C4'-P energy: -77.978
tors. eta vs tors. theta energy: -134.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1549.656446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.656446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.656446 (E_RNA)
where:
Base-Base interactions energy: -1022.826
where: short stacking energy: -458.253
Base-Backbone interact. energy: 0.526
local terms energy: -527.355855
where:
bonds (distance) C4'-P energy: -110.708
bonds (distance) P-C4' energy: -104.694
flat angles C4'-P-C4' energy: -109.579
flat angles P-C4'-P energy: -77.059
tors. eta vs tors. theta energy: -125.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1224.537924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.537924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.537924 (E_RNA)
where:
Base-Base interactions energy: -805.241
where: short stacking energy: -359.836
Base-Backbone interact. energy: -1.931
local terms energy: -417.366835
where:
bonds (distance) C4'-P energy: -97.247
bonds (distance) P-C4' energy: -97.965
flat angles C4'-P-C4' energy: -85.714
flat angles P-C4'-P energy: -64.527
tors. eta vs tors. theta energy: -71.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -881.876071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.876071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.876071 (E_RNA)
where:
Base-Base interactions energy: -513.510
where: short stacking energy: -257.750
Base-Backbone interact. energy: 5.038
local terms energy: -373.403592
where:
bonds (distance) C4'-P energy: -101.566
bonds (distance) P-C4' energy: -99.822
flat angles C4'-P-C4' energy: -101.311
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -25.601
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: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -481.404448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.404448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.404448 (E_RNA)
where:
Base-Base interactions energy: -181.916
where: short stacking energy: -143.808
Base-Backbone interact. energy: 3.216
local terms energy: -302.704656
where:
bonds (distance) C4'-P energy: -94.326
bonds (distance) P-C4' energy: -106.061
flat angles C4'-P-C4' energy: -81.469
flat angles P-C4'-P energy: -40.776
tors. eta vs tors. theta energy: 19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -466.280648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.280648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.280648 (E_RNA)
where:
Base-Base interactions energy: -171.930
where: short stacking energy: -129.423
Base-Backbone interact. energy: -0.658
local terms energy: -293.692126
where:
bonds (distance) C4'-P energy: -90.106
bonds (distance) P-C4' energy: -92.750
flat angles C4'-P-C4' energy: -85.559
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: 15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2021.722590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.722590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.722590 (E_RNA)
where:
Base-Base interactions energy: -1392.442
where: short stacking energy: -587.186
Base-Backbone interact. energy: -1.642
local terms energy: -627.638440
where:
bonds (distance) C4'-P energy: -120.488
bonds (distance) P-C4' energy: -123.434
flat angles C4'-P-C4' energy: -139.622
flat angles P-C4'-P energy: -79.817
tors. eta vs tors. theta energy: -164.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1868.952551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.952551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.952551 (E_RNA)
where:
Base-Base interactions energy: -1305.918
where: short stacking energy: -552.811
Base-Backbone interact. energy: -1.253
local terms energy: -561.781383
where:
bonds (distance) C4'-P energy: -98.285
bonds (distance) P-C4' energy: -115.016
flat angles C4'-P-C4' energy: -121.910
flat angles P-C4'-P energy: -84.936
tors. eta vs tors. theta energy: -141.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1788.995335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.995335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.995335 (E_RNA)
where:
Base-Base interactions energy: -1236.968
where: short stacking energy: -519.951
Base-Backbone interact. energy: -0.958
local terms energy: -551.069213
where:
bonds (distance) C4'-P energy: -112.073
bonds (distance) P-C4' energy: -112.226
flat angles C4'-P-C4' energy: -118.079
flat angles P-C4'-P energy: -70.498
tors. eta vs tors. theta energy: -138.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1777.696909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.696909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.696909 (E_RNA)
where:
Base-Base interactions energy: -1223.731
where: short stacking energy: -545.531
Base-Backbone interact. energy: 0.152
local terms energy: -554.117167
where:
bonds (distance) C4'-P energy: -88.006
bonds (distance) P-C4' energy: -102.468
flat angles C4'-P-C4' energy: -124.303
flat angles P-C4'-P energy: -77.500
tors. eta vs tors. theta energy: -161.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1551.806098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.806098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.806098 (E_RNA)
where:
Base-Base interactions energy: -1016.261
where: short stacking energy: -434.174
Base-Backbone interact. energy: -0.049
local terms energy: -535.496344
where:
bonds (distance) C4'-P energy: -106.368
bonds (distance) P-C4' energy: -121.691
flat angles C4'-P-C4' energy: -102.873
flat angles P-C4'-P energy: -77.388
tors. eta vs tors. theta energy: -127.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1494.686956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.686956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.686956 (E_RNA)
where:
Base-Base interactions energy: -983.952
where: short stacking energy: -412.169
Base-Backbone interact. energy: -1.155
local terms energy: -509.580199
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -105.293
flat angles C4'-P-C4' energy: -113.325
flat angles P-C4'-P energy: -82.978
tors. eta vs tors. theta energy: -126.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1151.597788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.597788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.597788 (E_RNA)
where:
Base-Base interactions energy: -720.111
where: short stacking energy: -319.809
Base-Backbone interact. energy: -1.724
local terms energy: -429.762410
where:
bonds (distance) C4'-P energy: -93.975
bonds (distance) P-C4' energy: -107.262
flat angles C4'-P-C4' energy: -95.611
flat angles P-C4'-P energy: -61.429
tors. eta vs tors. theta energy: -71.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -904.529542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.529542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.529542 (E_RNA)
where:
Base-Base interactions energy: -510.802
where: short stacking energy: -240.845
Base-Backbone interact. energy: -1.167
local terms energy: -392.561281
where:
bonds (distance) C4'-P energy: -108.174
bonds (distance) P-C4' energy: -97.910
flat angles C4'-P-C4' energy: -87.757
flat angles P-C4'-P energy: -71.881
tors. eta vs tors. theta energy: -26.841
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: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -492.465004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.465004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.465004 (E_RNA)
where:
Base-Base interactions energy: -176.971
where: short stacking energy: -128.487
Base-Backbone interact. energy: -0.717
local terms energy: -314.776160
where:
bonds (distance) C4'-P energy: -99.099
bonds (distance) P-C4' energy: -104.124
flat angles C4'-P-C4' energy: -86.834
flat angles P-C4'-P energy: -48.274
tors. eta vs tors. theta energy: 23.554
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: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -462.994273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.994273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.994273 (E_RNA)
where:
Base-Base interactions energy: -167.841
where: short stacking energy: -134.706
Base-Backbone interact. energy: 8.238
local terms energy: -303.391196
where:
bonds (distance) C4'-P energy: -83.351
bonds (distance) P-C4' energy: -105.497
flat angles C4'-P-C4' energy: -81.450
flat angles P-C4'-P energy: -36.281
tors. eta vs tors. theta energy: 3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2038.674924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.674924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.674924 (E_RNA)
where:
Base-Base interactions energy: -1421.816
where: short stacking energy: -606.720
Base-Backbone interact. energy: 4.551
local terms energy: -621.409871
where:
bonds (distance) C4'-P energy: -118.225
bonds (distance) P-C4' energy: -115.628
flat angles C4'-P-C4' energy: -134.200
flat angles P-C4'-P energy: -74.404
tors. eta vs tors. theta energy: -178.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1841.720703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.720703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.720703 (E_RNA)
where:
Base-Base interactions energy: -1252.923
where: short stacking energy: -511.579
Base-Backbone interact. energy: -0.946
local terms energy: -587.851790
where:
bonds (distance) C4'-P energy: -110.820
bonds (distance) P-C4' energy: -122.151
flat angles C4'-P-C4' energy: -132.799
flat angles P-C4'-P energy: -82.743
tors. eta vs tors. theta energy: -139.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1778.158057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.158057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.158057 (E_RNA)
where:
Base-Base interactions energy: -1194.708
where: short stacking energy: -508.092
Base-Backbone interact. energy: 1.464
local terms energy: -584.913734
where:
bonds (distance) C4'-P energy: -109.488
bonds (distance) P-C4' energy: -128.359
flat angles C4'-P-C4' energy: -118.399
flat angles P-C4'-P energy: -86.318
tors. eta vs tors. theta energy: -142.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1694.584265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.584265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.584265 (E_RNA)
where:
Base-Base interactions energy: -1131.186
where: short stacking energy: -513.109
Base-Backbone interact. energy: -2.742
local terms energy: -560.655679
where:
bonds (distance) C4'-P energy: -102.371
bonds (distance) P-C4' energy: -113.944
flat angles C4'-P-C4' energy: -117.004
flat angles P-C4'-P energy: -73.624
tors. eta vs tors. theta energy: -153.713
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: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1575.836226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.836226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.836226 (E_RNA)
where:
Base-Base interactions energy: -1060.181
where: short stacking energy: -482.100
Base-Backbone interact. energy: -0.856
local terms energy: -514.799108
where:
bonds (distance) C4'-P energy: -115.243
bonds (distance) P-C4' energy: -95.744
flat angles C4'-P-C4' energy: -107.402
flat angles P-C4'-P energy: -60.019
tors. eta vs tors. theta energy: -136.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1485.782252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.782252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.782252 (E_RNA)
where:
Base-Base interactions energy: -975.910
where: short stacking energy: -442.420
Base-Backbone interact. energy: 0.195
local terms energy: -510.067372
where:
bonds (distance) C4'-P energy: -106.458
bonds (distance) P-C4' energy: -108.067
flat angles C4'-P-C4' energy: -97.394
flat angles P-C4'-P energy: -67.064
tors. eta vs tors. theta energy: -131.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -918.278842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.278842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.278842 (E_RNA)
where:
Base-Base interactions energy: -513.554
where: short stacking energy: -287.734
Base-Backbone interact. energy: 2.421
local terms energy: -407.146223
where:
bonds (distance) C4'-P energy: -100.675
bonds (distance) P-C4' energy: -94.582
flat angles C4'-P-C4' energy: -109.728
flat angles P-C4'-P energy: -60.414
tors. eta vs tors. theta energy: -41.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1038.582215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.582215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.582215 (E_RNA)
where:
Base-Base interactions energy: -657.021
where: short stacking energy: -278.558
Base-Backbone interact. energy: -0.239
local terms energy: -381.322855
where:
bonds (distance) C4'-P energy: -94.316
bonds (distance) P-C4' energy: -97.458
flat angles C4'-P-C4' energy: -97.479
flat angles P-C4'-P energy: -57.773
tors. eta vs tors. theta energy: -34.297
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: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -469.285323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.285323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.285323 (E_RNA)
where:
Base-Base interactions energy: -188.931
where: short stacking energy: -154.923
Base-Backbone interact. energy: 4.441
local terms energy: -284.795015
where:
bonds (distance) C4'-P energy: -77.069
bonds (distance) P-C4' energy: -102.642
flat angles C4'-P-C4' energy: -90.306
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: 14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -446.533233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.533233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.533233 (E_RNA)
where:
Base-Base interactions energy: -156.635
where: short stacking energy: -128.561
Base-Backbone interact. energy: -3.261
local terms energy: -286.637617
where:
bonds (distance) C4'-P energy: -88.982
bonds (distance) P-C4' energy: -103.885
flat angles C4'-P-C4' energy: -84.970
flat angles P-C4'-P energy: -34.177
tors. eta vs tors. theta energy: 25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2031.249959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.249959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.249959 (E_RNA)
where:
Base-Base interactions energy: -1389.496
where: short stacking energy: -604.228
Base-Backbone interact. energy: 4.851
local terms energy: -646.605473
where:
bonds (distance) C4'-P energy: -121.226
bonds (distance) P-C4' energy: -124.939
flat angles C4'-P-C4' energy: -141.977
flat angles P-C4'-P energy: -82.549
tors. eta vs tors. theta energy: -175.915
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: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1825.515888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.515888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.515888 (E_RNA)
where:
Base-Base interactions energy: -1247.118
where: short stacking energy: -515.490
Base-Backbone interact. energy: -2.162
local terms energy: -576.235548
where:
bonds (distance) C4'-P energy: -108.409
bonds (distance) P-C4' energy: -115.544
flat angles C4'-P-C4' energy: -125.350
flat angles P-C4'-P energy: -90.348
tors. eta vs tors. theta energy: -136.585
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: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1804.079213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.079213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.079213 (E_RNA)
where:
Base-Base interactions energy: -1261.435
where: short stacking energy: -518.082
Base-Backbone interact. energy: -0.345
local terms energy: -542.299060
where:
bonds (distance) C4'-P energy: -109.118
bonds (distance) P-C4' energy: -111.363
flat angles C4'-P-C4' energy: -115.238
flat angles P-C4'-P energy: -54.830
tors. eta vs tors. theta energy: -151.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1731.608644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.608644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.608644 (E_RNA)
where:
Base-Base interactions energy: -1160.279
where: short stacking energy: -503.304
Base-Backbone interact. energy: -3.111
local terms energy: -568.219282
where:
bonds (distance) C4'-P energy: -94.893
bonds (distance) P-C4' energy: -131.610
flat angles C4'-P-C4' energy: -113.047
flat angles P-C4'-P energy: -83.649
tors. eta vs tors. theta energy: -145.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1562.789698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.789698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.789698 (E_RNA)
where:
Base-Base interactions energy: -1014.253
where: short stacking energy: -439.290
Base-Backbone interact. energy: 0.313
local terms energy: -548.849218
where:
bonds (distance) C4'-P energy: -107.123
bonds (distance) P-C4' energy: -109.732
flat angles C4'-P-C4' energy: -125.960
flat angles P-C4'-P energy: -69.916
tors. eta vs tors. theta energy: -136.118
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: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1488.793742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.793742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.793742 (E_RNA)
where:
Base-Base interactions energy: -949.483
where: short stacking energy: -437.761
Base-Backbone interact. energy: -1.913
local terms energy: -537.398501
where:
bonds (distance) C4'-P energy: -103.195
bonds (distance) P-C4' energy: -106.458
flat angles C4'-P-C4' energy: -121.604
flat angles P-C4'-P energy: -84.896
tors. eta vs tors. theta energy: -121.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -903.774265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.774265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.774265 (E_RNA)
where:
Base-Base interactions energy: -500.381
where: short stacking energy: -247.594
Base-Backbone interact. energy: -3.041
local terms energy: -400.352273
where:
bonds (distance) C4'-P energy: -102.043
bonds (distance) P-C4' energy: -107.951
flat angles C4'-P-C4' energy: -101.276
flat angles P-C4'-P energy: -54.238
tors. eta vs tors. theta energy: -34.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1064.715685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.715685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.715685 (E_RNA)
where:
Base-Base interactions energy: -656.271
where: short stacking energy: -299.762
Base-Backbone interact. energy: -5.003
local terms energy: -403.441989
where:
bonds (distance) C4'-P energy: -94.392
bonds (distance) P-C4' energy: -103.422
flat angles C4'-P-C4' energy: -88.546
flat angles P-C4'-P energy: -58.449
tors. eta vs tors. theta energy: -58.632
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: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -517.095168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.095168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.095168 (E_RNA)
where:
Base-Base interactions energy: -204.713
where: short stacking energy: -154.728
Base-Backbone interact. energy: -1.581
local terms energy: -310.800686
where:
bonds (distance) C4'-P energy: -78.203
bonds (distance) P-C4' energy: -98.391
flat angles C4'-P-C4' energy: -80.119
flat angles P-C4'-P energy: -51.120
tors. eta vs tors. theta energy: -2.968
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: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -463.692137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.692137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.692137 (E_RNA)
where:
Base-Base interactions energy: -163.097
where: short stacking energy: -128.338
Base-Backbone interact. energy: 1.200
local terms energy: -301.794929
where:
bonds (distance) C4'-P energy: -101.189
bonds (distance) P-C4' energy: -90.202
flat angles C4'-P-C4' energy: -86.431
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: 5.387
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: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2046.652816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.652816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.652816 (E_RNA)
where:
Base-Base interactions energy: -1414.403
where: short stacking energy: -585.212
Base-Backbone interact. energy: -0.043
local terms energy: -632.206682
where:
bonds (distance) C4'-P energy: -115.448
bonds (distance) P-C4' energy: -122.159
flat angles C4'-P-C4' energy: -136.183
flat angles P-C4'-P energy: -96.676
tors. eta vs tors. theta energy: -161.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1836.190893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.190893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.190893 (E_RNA)
where:
Base-Base interactions energy: -1232.348
where: short stacking energy: -522.096
Base-Backbone interact. energy: -5.370
local terms energy: -598.473137
where:
bonds (distance) C4'-P energy: -113.625
bonds (distance) P-C4' energy: -118.813
flat angles C4'-P-C4' energy: -133.399
flat angles P-C4'-P energy: -87.459
tors. eta vs tors. theta energy: -145.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1811.070866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.070866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.070866 (E_RNA)
where:
Base-Base interactions energy: -1237.959
where: short stacking energy: -543.791
Base-Backbone interact. energy: -0.967
local terms energy: -572.144951
where:
bonds (distance) C4'-P energy: -96.343
bonds (distance) P-C4' energy: -108.890
flat angles C4'-P-C4' energy: -127.926
flat angles P-C4'-P energy: -81.464
tors. eta vs tors. theta energy: -157.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1728.677439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.677439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.677439 (E_RNA)
where:
Base-Base interactions energy: -1179.492
where: short stacking energy: -483.661
Base-Backbone interact. energy: -4.495
local terms energy: -544.690617
where:
bonds (distance) C4'-P energy: -108.117
bonds (distance) P-C4' energy: -106.696
flat angles C4'-P-C4' energy: -126.833
flat angles P-C4'-P energy: -68.346
tors. eta vs tors. theta energy: -134.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1527.890025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.890025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.890025 (E_RNA)
where:
Base-Base interactions energy: -1022.995
where: short stacking energy: -451.229
Base-Backbone interact. energy: -1.505
local terms energy: -503.390310
where:
bonds (distance) C4'-P energy: -82.672
bonds (distance) P-C4' energy: -108.180
flat angles C4'-P-C4' energy: -114.116
flat angles P-C4'-P energy: -73.090
tors. eta vs tors. theta energy: -125.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1505.822178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.822178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.822178 (E_RNA)
where:
Base-Base interactions energy: -955.365
where: short stacking energy: -417.879
Base-Backbone interact. energy: -0.729
local terms energy: -549.728014
where:
bonds (distance) C4'-P energy: -95.578
bonds (distance) P-C4' energy: -118.966
flat angles C4'-P-C4' energy: -124.106
flat angles P-C4'-P energy: -69.648
tors. eta vs tors. theta energy: -141.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1128.843709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.843709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.843709 (E_RNA)
where:
Base-Base interactions energy: -704.017
where: short stacking energy: -311.811
Base-Backbone interact. energy: -1.267
local terms energy: -423.559627
where:
bonds (distance) C4'-P energy: -90.473
bonds (distance) P-C4' energy: -102.105
flat angles C4'-P-C4' energy: -102.230
flat angles P-C4'-P energy: -68.906
tors. eta vs tors. theta energy: -59.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -893.246109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.246109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.246109 (E_RNA)
where:
Base-Base interactions energy: -487.024
where: short stacking energy: -252.871
Base-Backbone interact. energy: 0.206
local terms energy: -406.427570
where:
bonds (distance) C4'-P energy: -95.230
bonds (distance) P-C4' energy: -105.923
flat angles C4'-P-C4' energy: -102.617
flat angles P-C4'-P energy: -62.282
tors. eta vs tors. theta energy: -40.375
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: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -508.271352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.271352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.271352 (E_RNA)
where:
Base-Base interactions energy: -175.209
where: short stacking energy: -160.807
Base-Backbone interact. energy: 1.602
local terms energy: -334.664249
where:
bonds (distance) C4'-P energy: -95.762
bonds (distance) P-C4' energy: -106.378
flat angles C4'-P-C4' energy: -96.926
flat angles P-C4'-P energy: -31.733
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -475.431754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.431754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.431754 (E_RNA)
where:
Base-Base interactions energy: -173.674
where: short stacking energy: -118.337
Base-Backbone interact. energy: 0.698
local terms energy: -302.456259
where:
bonds (distance) C4'-P energy: -96.062
bonds (distance) P-C4' energy: -86.852
flat angles C4'-P-C4' energy: -79.750
flat angles P-C4'-P energy: -58.321
tors. eta vs tors. theta energy: 18.529
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: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2017.732067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.732067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.732067 (E_RNA)
where:
Base-Base interactions energy: -1389.588
where: short stacking energy: -578.140
Base-Backbone interact. energy: -4.361
local terms energy: -623.783702
where:
bonds (distance) C4'-P energy: -132.812
bonds (distance) P-C4' energy: -112.735
flat angles C4'-P-C4' energy: -127.984
flat angles P-C4'-P energy: -80.137
tors. eta vs tors. theta energy: -170.115
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: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1846.620419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.620419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.620419 (E_RNA)
where:
Base-Base interactions energy: -1249.462
where: short stacking energy: -532.092
Base-Backbone interact. energy: -0.418
local terms energy: -596.739930
where:
bonds (distance) C4'-P energy: -125.363
bonds (distance) P-C4' energy: -108.524
flat angles C4'-P-C4' energy: -119.269
flat angles P-C4'-P energy: -90.444
tors. eta vs tors. theta energy: -153.139
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: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1807.548152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.548152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.548152 (E_RNA)
where:
Base-Base interactions energy: -1250.622
where: short stacking energy: -518.291
Base-Backbone interact. energy: 1.021
local terms energy: -557.948008
where:
bonds (distance) C4'-P energy: -99.390
bonds (distance) P-C4' energy: -113.596
flat angles C4'-P-C4' energy: -130.710
flat angles P-C4'-P energy: -74.166
tors. eta vs tors. theta energy: -140.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1755.435754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.435754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.435754 (E_RNA)
where:
Base-Base interactions energy: -1170.326
where: short stacking energy: -519.991
Base-Backbone interact. energy: -1.600
local terms energy: -583.509498
where:
bonds (distance) C4'-P energy: -102.646
bonds (distance) P-C4' energy: -109.458
flat angles C4'-P-C4' energy: -122.224
flat angles P-C4'-P energy: -81.921
tors. eta vs tors. theta energy: -167.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1561.691612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.691612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.691612 (E_RNA)
where:
Base-Base interactions energy: -1057.425
where: short stacking energy: -469.713
Base-Backbone interact. energy: -1.136
local terms energy: -503.131186
where:
bonds (distance) C4'-P energy: -95.755
bonds (distance) P-C4' energy: -108.045
flat angles C4'-P-C4' energy: -109.518
flat angles P-C4'-P energy: -62.411
tors. eta vs tors. theta energy: -127.401
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: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1478.467752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.467752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.467752 (E_RNA)
where:
Base-Base interactions energy: -962.287
where: short stacking energy: -422.119
Base-Backbone interact. energy: -3.164
local terms energy: -513.015884
where:
bonds (distance) C4'-P energy: -101.964
bonds (distance) P-C4' energy: -116.188
flat angles C4'-P-C4' energy: -108.977
flat angles P-C4'-P energy: -67.582
tors. eta vs tors. theta energy: -118.306
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: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1140.272862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.272862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.272862 (E_RNA)
where:
Base-Base interactions energy: -735.654
where: short stacking energy: -326.740
Base-Backbone interact. energy: 2.436
local terms energy: -407.054952
where:
bonds (distance) C4'-P energy: -103.724
bonds (distance) P-C4' energy: -107.693
flat angles C4'-P-C4' energy: -96.632
flat angles P-C4'-P energy: -48.056
tors. eta vs tors. theta energy: -50.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -764.602946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.602946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.602946 (E_RNA)
where:
Base-Base interactions energy: -415.709
where: short stacking energy: -219.615
Base-Backbone interact. energy: 2.946
local terms energy: -351.839237
where:
bonds (distance) C4'-P energy: -101.065
bonds (distance) P-C4' energy: -100.706
flat angles C4'-P-C4' energy: -88.198
flat angles P-C4'-P energy: -34.386
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -486.687015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.687015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.687015 (E_RNA)
where:
Base-Base interactions energy: -163.440
where: short stacking energy: -132.981
Base-Backbone interact. energy: -0.601
local terms energy: -322.646051
where:
bonds (distance) C4'-P energy: -93.571
bonds (distance) P-C4' energy: -108.653
flat angles C4'-P-C4' energy: -79.539
flat angles P-C4'-P energy: -53.524
tors. eta vs tors. theta energy: 12.640
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: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -459.728889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.728889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.728889 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -135.253
Base-Backbone interact. energy: 5.314
local terms energy: -305.308659
where:
bonds (distance) C4'-P energy: -101.421
bonds (distance) P-C4' energy: -92.797
flat angles C4'-P-C4' energy: -63.778
flat angles P-C4'-P energy: -57.888
tors. eta vs tors. theta energy: 10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2016.874013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.874013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.874013 (E_RNA)
where:
Base-Base interactions energy: -1384.723
where: short stacking energy: -577.556
Base-Backbone interact. energy: -0.398
local terms energy: -631.753297
where:
bonds (distance) C4'-P energy: -120.009
bonds (distance) P-C4' energy: -116.882
flat angles C4'-P-C4' energy: -130.029
flat angles P-C4'-P energy: -97.103
tors. eta vs tors. theta energy: -167.730
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: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1876.028675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.028675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.028675 (E_RNA)
where:
Base-Base interactions energy: -1282.250
where: short stacking energy: -547.608
Base-Backbone interact. energy: -1.087
local terms energy: -592.691880
where:
bonds (distance) C4'-P energy: -108.738
bonds (distance) P-C4' energy: -107.474
flat angles C4'-P-C4' energy: -123.635
flat angles P-C4'-P energy: -83.837
tors. eta vs tors. theta energy: -169.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1808.709585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.709585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.709585 (E_RNA)
where:
Base-Base interactions energy: -1245.264
where: short stacking energy: -507.531
Base-Backbone interact. energy: -1.270
local terms energy: -562.176122
where:
bonds (distance) C4'-P energy: -107.008
bonds (distance) P-C4' energy: -108.718
flat angles C4'-P-C4' energy: -131.835
flat angles P-C4'-P energy: -83.355
tors. eta vs tors. theta energy: -131.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1659.430547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.430547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.430547 (E_RNA)
where:
Base-Base interactions energy: -1114.247
where: short stacking energy: -471.354
Base-Backbone interact. energy: 1.722
local terms energy: -546.905351
where:
bonds (distance) C4'-P energy: -102.416
bonds (distance) P-C4' energy: -119.829
flat angles C4'-P-C4' energy: -116.025
flat angles P-C4'-P energy: -74.586
tors. eta vs tors. theta energy: -134.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1597.778231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.778231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.778231 (E_RNA)
where:
Base-Base interactions energy: -1040.958
where: short stacking energy: -479.985
Base-Backbone interact. energy: 0.853
local terms energy: -557.673521
where:
bonds (distance) C4'-P energy: -111.022
bonds (distance) P-C4' energy: -111.415
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -73.633
tors. eta vs tors. theta energy: -139.118
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: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1526.296779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.296779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.296779 (E_RNA)
where:
Base-Base interactions energy: -1017.594
where: short stacking energy: -453.946
Base-Backbone interact. energy: -2.804
local terms energy: -505.899357
where:
bonds (distance) C4'-P energy: -102.283
bonds (distance) P-C4' energy: -106.765
flat angles C4'-P-C4' energy: -101.411
flat angles P-C4'-P energy: -69.543
tors. eta vs tors. theta energy: -125.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1126.260108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.260108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.260108 (E_RNA)
where:
Base-Base interactions energy: -709.529
where: short stacking energy: -317.269
Base-Backbone interact. energy: 3.946
local terms energy: -420.676686
where:
bonds (distance) C4'-P energy: -95.178
bonds (distance) P-C4' energy: -100.712
flat angles C4'-P-C4' energy: -108.349
flat angles P-C4'-P energy: -63.234
tors. eta vs tors. theta energy: -53.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -779.525894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.525894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.525894 (E_RNA)
where:
Base-Base interactions energy: -393.607
where: short stacking energy: -235.276
Base-Backbone interact. energy: 3.674
local terms energy: -389.592722
where:
bonds (distance) C4'-P energy: -99.526
bonds (distance) P-C4' energy: -114.708
flat angles C4'-P-C4' energy: -88.295
flat angles P-C4'-P energy: -59.746
tors. eta vs tors. theta energy: -27.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -523.718898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.718898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.718898 (E_RNA)
where:
Base-Base interactions energy: -176.807
where: short stacking energy: -150.500
Base-Backbone interact. energy: 3.607
local terms energy: -350.518830
where:
bonds (distance) C4'-P energy: -98.592
bonds (distance) P-C4' energy: -108.443
flat angles C4'-P-C4' energy: -92.681
flat angles P-C4'-P energy: -55.665
tors. eta vs tors. theta energy: 4.862
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: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -525.402713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.402713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.402713 (E_RNA)
where:
Base-Base interactions energy: -221.618
where: short stacking energy: -141.586
Base-Backbone interact. energy: -1.423
local terms energy: -302.362431
where:
bonds (distance) C4'-P energy: -94.303
bonds (distance) P-C4' energy: -81.331
flat angles C4'-P-C4' energy: -75.581
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2032.977539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.977539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.977539 (E_RNA)
where:
Base-Base interactions energy: -1388.040
where: short stacking energy: -596.882
Base-Backbone interact. energy: -3.121
local terms energy: -641.816636
where:
bonds (distance) C4'-P energy: -120.387
bonds (distance) P-C4' energy: -120.431
flat angles C4'-P-C4' energy: -132.502
flat angles P-C4'-P energy: -93.426
tors. eta vs tors. theta energy: -175.070
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: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1882.770669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.770669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.770669 (E_RNA)
where:
Base-Base interactions energy: -1259.014
where: short stacking energy: -542.278
Base-Backbone interact. energy: -2.061
local terms energy: -621.695551
where:
bonds (distance) C4'-P energy: -109.521
bonds (distance) P-C4' energy: -119.808
flat angles C4'-P-C4' energy: -131.257
flat angles P-C4'-P energy: -75.339
tors. eta vs tors. theta energy: -185.771
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: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1827.313217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.313217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.313217 (E_RNA)
where:
Base-Base interactions energy: -1244.492
where: short stacking energy: -513.078
Base-Backbone interact. energy: -3.450
local terms energy: -579.371418
where:
bonds (distance) C4'-P energy: -112.636
bonds (distance) P-C4' energy: -125.672
flat angles C4'-P-C4' energy: -129.141
flat angles P-C4'-P energy: -75.606
tors. eta vs tors. theta energy: -136.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1671.309537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.309537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.309537 (E_RNA)
where:
Base-Base interactions energy: -1101.596
where: short stacking energy: -482.308
Base-Backbone interact. energy: -3.313
local terms energy: -566.400476
where:
bonds (distance) C4'-P energy: -114.019
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -122.478
flat angles P-C4'-P energy: -76.455
tors. eta vs tors. theta energy: -136.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1609.445114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.445114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.445114 (E_RNA)
where:
Base-Base interactions energy: -1077.501
where: short stacking energy: -460.609
Base-Backbone interact. energy: -3.502
local terms energy: -528.442290
where:
bonds (distance) C4'-P energy: -93.822
bonds (distance) P-C4' energy: -103.919
flat angles C4'-P-C4' energy: -122.997
flat angles P-C4'-P energy: -80.438
tors. eta vs tors. theta energy: -127.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1481.234790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.234790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.234790 (E_RNA)
where:
Base-Base interactions energy: -977.725
where: short stacking energy: -433.293
Base-Backbone interact. energy: -2.451
local terms energy: -501.059297
where:
bonds (distance) C4'-P energy: -100.894
bonds (distance) P-C4' energy: -99.168
flat angles C4'-P-C4' energy: -103.583
flat angles P-C4'-P energy: -73.192
tors. eta vs tors. theta energy: -124.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1133.683214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.683214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.683214 (E_RNA)
where:
Base-Base interactions energy: -683.715
where: short stacking energy: -313.074
Base-Backbone interact. energy: -2.940
local terms energy: -447.027799
where:
bonds (distance) C4'-P energy: -114.540
bonds (distance) P-C4' energy: -113.431
flat angles C4'-P-C4' energy: -101.773
flat angles P-C4'-P energy: -63.824
tors. eta vs tors. theta energy: -53.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -855.138766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.138766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.138766 (E_RNA)
where:
Base-Base interactions energy: -480.384
where: short stacking energy: -276.768
Base-Backbone interact. energy: 0.438
local terms energy: -375.192670
where:
bonds (distance) C4'-P energy: -103.908
bonds (distance) P-C4' energy: -83.565
flat angles C4'-P-C4' energy: -93.734
flat angles P-C4'-P energy: -69.504
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -541.544031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.544031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.544031 (E_RNA)
where:
Base-Base interactions energy: -198.890
where: short stacking energy: -135.847
Base-Backbone interact. energy: 0.472
local terms energy: -343.126324
where:
bonds (distance) C4'-P energy: -105.380
bonds (distance) P-C4' energy: -110.373
flat angles C4'-P-C4' energy: -88.484
flat angles P-C4'-P energy: -62.351
tors. eta vs tors. theta energy: 23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -483.909086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.909086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.909086 (E_RNA)
where:
Base-Base interactions energy: -160.963
where: short stacking energy: -135.665
Base-Backbone interact. energy: 5.766
local terms energy: -328.712258
where:
bonds (distance) C4'-P energy: -90.069
bonds (distance) P-C4' energy: -108.537
flat angles C4'-P-C4' energy: -72.012
flat angles P-C4'-P energy: -58.636
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2032.986042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.986042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.986042 (E_RNA)
where:
Base-Base interactions energy: -1416.165
where: short stacking energy: -591.158
Base-Backbone interact. energy: -0.769
local terms energy: -616.052013
where:
bonds (distance) C4'-P energy: -101.657
bonds (distance) P-C4' energy: -122.362
flat angles C4'-P-C4' energy: -126.448
flat angles P-C4'-P energy: -92.731
tors. eta vs tors. theta energy: -172.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1853.684999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.684999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.684999 (E_RNA)
where:
Base-Base interactions energy: -1247.083
where: short stacking energy: -541.455
Base-Backbone interact. energy: -1.856
local terms energy: -604.745481
where:
bonds (distance) C4'-P energy: -120.749
bonds (distance) P-C4' energy: -112.172
flat angles C4'-P-C4' energy: -123.943
flat angles P-C4'-P energy: -80.481
tors. eta vs tors. theta energy: -167.401
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: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1839.408555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.408555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.408555 (E_RNA)
where:
Base-Base interactions energy: -1259.395
where: short stacking energy: -518.880
Base-Backbone interact. energy: -4.799
local terms energy: -575.214315
where:
bonds (distance) C4'-P energy: -107.003
bonds (distance) P-C4' energy: -105.087
flat angles C4'-P-C4' energy: -129.765
flat angles P-C4'-P energy: -87.894
tors. eta vs tors. theta energy: -145.465
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: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1648.729938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.729938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.729938 (E_RNA)
where:
Base-Base interactions energy: -1086.921
where: short stacking energy: -499.968
Base-Backbone interact. energy: -1.294
local terms energy: -560.514808
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -123.764
flat angles C4'-P-C4' energy: -128.359
flat angles P-C4'-P energy: -79.740
tors. eta vs tors. theta energy: -139.778
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: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1609.155686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.155686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.155686 (E_RNA)
where:
Base-Base interactions energy: -1079.448
where: short stacking energy: -480.494
Base-Backbone interact. energy: -0.089
local terms energy: -529.617705
where:
bonds (distance) C4'-P energy: -92.000
bonds (distance) P-C4' energy: -96.310
flat angles C4'-P-C4' energy: -119.437
flat angles P-C4'-P energy: -76.564
tors. eta vs tors. theta energy: -145.306
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: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1449.237695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.237695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.237695 (E_RNA)
where:
Base-Base interactions energy: -942.646
where: short stacking energy: -412.079
Base-Backbone interact. energy: -1.063
local terms energy: -505.528318
where:
bonds (distance) C4'-P energy: -98.536
bonds (distance) P-C4' energy: -96.831
flat angles C4'-P-C4' energy: -112.096
flat angles P-C4'-P energy: -76.677
tors. eta vs tors. theta energy: -121.388
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: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1133.577481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.577481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.577481 (E_RNA)
where:
Base-Base interactions energy: -691.920
where: short stacking energy: -308.484
Base-Backbone interact. energy: 0.891
local terms energy: -442.548410
where:
bonds (distance) C4'-P energy: -91.883
bonds (distance) P-C4' energy: -98.127
flat angles C4'-P-C4' energy: -105.851
flat angles P-C4'-P energy: -74.376
tors. eta vs tors. theta energy: -72.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -873.160900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.160900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.160900 (E_RNA)
where:
Base-Base interactions energy: -500.344
where: short stacking energy: -247.624
Base-Backbone interact. energy: 6.054
local terms energy: -378.870360
where:
bonds (distance) C4'-P energy: -84.758
bonds (distance) P-C4' energy: -121.284
flat angles C4'-P-C4' energy: -98.836
flat angles P-C4'-P energy: -47.753
tors. eta vs tors. theta energy: -26.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -525.616252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.616252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.616252 (E_RNA)
where:
Base-Base interactions energy: -202.325
where: short stacking energy: -142.098
Base-Backbone interact. energy: -1.499
local terms energy: -321.792752
where:
bonds (distance) C4'-P energy: -93.507
bonds (distance) P-C4' energy: -104.808
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -58.798
tors. eta vs tors. theta energy: 9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -444.135683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.135683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.135683 (E_RNA)
where:
Base-Base interactions energy: -136.489
where: short stacking energy: -123.895
Base-Backbone interact. energy: 2.952
local terms energy: -310.599411
where:
bonds (distance) C4'-P energy: -78.691
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -86.459
flat angles P-C4'-P energy: -56.667
tors. eta vs tors. theta energy: -0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2019.768795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.768795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.768795 (E_RNA)
where:
Base-Base interactions energy: -1410.614
where: short stacking energy: -589.847
Base-Backbone interact. energy: -0.612
local terms energy: -608.542586
where:
bonds (distance) C4'-P energy: -110.594
bonds (distance) P-C4' energy: -113.105
flat angles C4'-P-C4' energy: -133.277
flat angles P-C4'-P energy: -78.462
tors. eta vs tors. theta energy: -173.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1878.400063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.400063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.400063 (E_RNA)
where:
Base-Base interactions energy: -1284.360
where: short stacking energy: -538.351
Base-Backbone interact. energy: -1.788
local terms energy: -592.251918
where:
bonds (distance) C4'-P energy: -112.661
bonds (distance) P-C4' energy: -115.956
flat angles C4'-P-C4' energy: -133.236
flat angles P-C4'-P energy: -83.394
tors. eta vs tors. theta energy: -147.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1790.312531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.312531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.312531 (E_RNA)
where:
Base-Base interactions energy: -1245.954
where: short stacking energy: -507.678
Base-Backbone interact. energy: 2.588
local terms energy: -546.946610
where:
bonds (distance) C4'-P energy: -122.908
bonds (distance) P-C4' energy: -93.443
flat angles C4'-P-C4' energy: -116.597
flat angles P-C4'-P energy: -75.315
tors. eta vs tors. theta energy: -138.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1779.881145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.881145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.881145 (E_RNA)
where:
Base-Base interactions energy: -1223.081
where: short stacking energy: -517.840
Base-Backbone interact. energy: 0.178
local terms energy: -556.977528
where:
bonds (distance) C4'-P energy: -97.250
bonds (distance) P-C4' energy: -105.719
flat angles C4'-P-C4' energy: -123.770
flat angles P-C4'-P energy: -81.206
tors. eta vs tors. theta energy: -149.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1648.009216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.009216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.009216 (E_RNA)
where:
Base-Base interactions energy: -1088.033
where: short stacking energy: -470.278
Base-Backbone interact. energy: -0.341
local terms energy: -559.635283
where:
bonds (distance) C4'-P energy: -119.576
bonds (distance) P-C4' energy: -96.539
flat angles C4'-P-C4' energy: -126.908
flat angles P-C4'-P energy: -76.818
tors. eta vs tors. theta energy: -139.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1473.276016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.276016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.276016 (E_RNA)
where:
Base-Base interactions energy: -952.282
where: short stacking energy: -410.617
Base-Backbone interact. energy: -1.382
local terms energy: -519.612212
where:
bonds (distance) C4'-P energy: -103.851
bonds (distance) P-C4' energy: -116.190
flat angles C4'-P-C4' energy: -117.028
flat angles P-C4'-P energy: -65.153
tors. eta vs tors. theta energy: -117.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1125.946757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.946757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.946757 (E_RNA)
where:
Base-Base interactions energy: -706.568
where: short stacking energy: -321.975
Base-Backbone interact. energy: -1.106
local terms energy: -418.272617
where:
bonds (distance) C4'-P energy: -95.580
bonds (distance) P-C4' energy: -110.308
flat angles C4'-P-C4' energy: -86.228
flat angles P-C4'-P energy: -57.635
tors. eta vs tors. theta energy: -68.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -953.147295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.147295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.147295 (E_RNA)
where:
Base-Base interactions energy: -564.772
where: short stacking energy: -259.930
Base-Backbone interact. energy: -0.066
local terms energy: -388.309734
where:
bonds (distance) C4'-P energy: -102.042
bonds (distance) P-C4' energy: -95.624
flat angles C4'-P-C4' energy: -88.287
flat angles P-C4'-P energy: -56.171
tors. eta vs tors. theta energy: -46.186
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: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -544.832987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.832987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.832987 (E_RNA)
where:
Base-Base interactions energy: -241.142
where: short stacking energy: -167.646
Base-Backbone interact. energy: 1.409
local terms energy: -305.099899
where:
bonds (distance) C4'-P energy: -82.035
bonds (distance) P-C4' energy: -116.830
flat angles C4'-P-C4' energy: -68.910
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: 7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -453.140083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.140083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.140083 (E_RNA)
where:
Base-Base interactions energy: -156.409
where: short stacking energy: -110.554
Base-Backbone interact. energy: 3.888
local terms energy: -300.619196
where:
bonds (distance) C4'-P energy: -86.388
bonds (distance) P-C4' energy: -110.805
flat angles C4'-P-C4' energy: -76.640
flat angles P-C4'-P energy: -41.997
tors. eta vs tors. theta energy: 15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2035.421757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.421757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.421757 (E_RNA)
where:
Base-Base interactions energy: -1415.398
where: short stacking energy: -576.763
Base-Backbone interact. energy: -0.794
local terms energy: -619.229466
where:
bonds (distance) C4'-P energy: -113.840
bonds (distance) P-C4' energy: -124.676
flat angles C4'-P-C4' energy: -130.580
flat angles P-C4'-P energy: -88.832
tors. eta vs tors. theta energy: -161.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1858.750045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.750045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.750045 (E_RNA)
where:
Base-Base interactions energy: -1267.578
where: short stacking energy: -548.105
Base-Backbone interact. energy: 0.913
local terms energy: -592.085483
where:
bonds (distance) C4'-P energy: -114.054
bonds (distance) P-C4' energy: -121.472
flat angles C4'-P-C4' energy: -123.246
flat angles P-C4'-P energy: -85.896
tors. eta vs tors. theta energy: -147.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1818.684461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.684461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.684461 (E_RNA)
where:
Base-Base interactions energy: -1253.577
where: short stacking energy: -530.204
Base-Backbone interact. energy: -2.038
local terms energy: -563.070254
where:
bonds (distance) C4'-P energy: -112.314
bonds (distance) P-C4' energy: -102.097
flat angles C4'-P-C4' energy: -123.696
flat angles P-C4'-P energy: -74.831
tors. eta vs tors. theta energy: -150.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1753.301162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.301162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.301162 (E_RNA)
where:
Base-Base interactions energy: -1202.007
where: short stacking energy: -493.802
Base-Backbone interact. energy: -0.828
local terms energy: -550.466575
where:
bonds (distance) C4'-P energy: -115.573
bonds (distance) P-C4' energy: -103.773
flat angles C4'-P-C4' energy: -114.423
flat angles P-C4'-P energy: -68.894
tors. eta vs tors. theta energy: -147.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1649.504348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.504348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.504348 (E_RNA)
where:
Base-Base interactions energy: -1082.480
where: short stacking energy: -479.165
Base-Backbone interact. energy: -0.305
local terms energy: -566.719375
where:
bonds (distance) C4'-P energy: -107.119
bonds (distance) P-C4' energy: -117.570
flat angles C4'-P-C4' energy: -121.685
flat angles P-C4'-P energy: -73.088
tors. eta vs tors. theta energy: -147.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1456.367654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.367654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.367654 (E_RNA)
where:
Base-Base interactions energy: -955.559
where: short stacking energy: -419.263
Base-Backbone interact. energy: 2.391
local terms energy: -503.199960
where:
bonds (distance) C4'-P energy: -102.736
bonds (distance) P-C4' energy: -107.973
flat angles C4'-P-C4' energy: -112.751
flat angles P-C4'-P energy: -69.593
tors. eta vs tors. theta energy: -110.148
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: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1119.521239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.521239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.521239 (E_RNA)
where:
Base-Base interactions energy: -701.657
where: short stacking energy: -310.322
Base-Backbone interact. energy: 0.113
local terms energy: -417.977307
where:
bonds (distance) C4'-P energy: -91.710
bonds (distance) P-C4' energy: -93.430
flat angles C4'-P-C4' energy: -101.704
flat angles P-C4'-P energy: -70.022
tors. eta vs tors. theta energy: -61.112
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: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1053.148641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.148641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.148641 (E_RNA)
where:
Base-Base interactions energy: -616.618
where: short stacking energy: -289.453
Base-Backbone interact. energy: -0.755
local terms energy: -435.775748
where:
bonds (distance) C4'-P energy: -109.106
bonds (distance) P-C4' energy: -105.688
flat angles C4'-P-C4' energy: -110.080
flat angles P-C4'-P energy: -65.921
tors. eta vs tors. theta energy: -44.980
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: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -524.983451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.983451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.983451 (E_RNA)
where:
Base-Base interactions energy: -196.094
where: short stacking energy: -131.683
Base-Backbone interact. energy: -0.656
local terms energy: -328.233752
where:
bonds (distance) C4'-P energy: -89.146
bonds (distance) P-C4' energy: -91.264
flat angles C4'-P-C4' energy: -87.778
flat angles P-C4'-P energy: -59.408
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -494.104086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.104086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.104086 (E_RNA)
where:
Base-Base interactions energy: -206.280
where: short stacking energy: -124.825
Base-Backbone interact. energy: 3.884
local terms energy: -291.707730
where:
bonds (distance) C4'-P energy: -95.998
bonds (distance) P-C4' energy: -99.765
flat angles C4'-P-C4' energy: -78.789
flat angles P-C4'-P energy: -36.573
tors. eta vs tors. theta energy: 19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2024.317569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.317569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.317569 (E_RNA)
where:
Base-Base interactions energy: -1413.874
where: short stacking energy: -568.256
Base-Backbone interact. energy: -3.784
local terms energy: -606.659579
where:
bonds (distance) C4'-P energy: -110.243
bonds (distance) P-C4' energy: -125.548
flat angles C4'-P-C4' energy: -129.541
flat angles P-C4'-P energy: -75.109
tors. eta vs tors. theta energy: -166.218
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: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1830.133571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.133571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.133571 (E_RNA)
where:
Base-Base interactions energy: -1234.580
where: short stacking energy: -537.308
Base-Backbone interact. energy: -2.106
local terms energy: -593.448173
where:
bonds (distance) C4'-P energy: -119.713
bonds (distance) P-C4' energy: -125.574
flat angles C4'-P-C4' energy: -117.864
flat angles P-C4'-P energy: -78.362
tors. eta vs tors. theta energy: -151.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1780.721542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.721542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.721542 (E_RNA)
where:
Base-Base interactions energy: -1233.598
where: short stacking energy: -517.117
Base-Backbone interact. energy: -2.482
local terms energy: -544.641584
where:
bonds (distance) C4'-P energy: -102.503
bonds (distance) P-C4' energy: -107.611
flat angles C4'-P-C4' energy: -113.654
flat angles P-C4'-P energy: -77.795
tors. eta vs tors. theta energy: -143.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1720.222855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.222855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.222855 (E_RNA)
where:
Base-Base interactions energy: -1164.000
where: short stacking energy: -495.629
Base-Backbone interact. energy: 2.939
local terms energy: -559.162074
where:
bonds (distance) C4'-P energy: -119.589
bonds (distance) P-C4' energy: -102.686
flat angles C4'-P-C4' energy: -123.872
flat angles P-C4'-P energy: -67.055
tors. eta vs tors. theta energy: -145.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1624.901937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.901937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.901937 (E_RNA)
where:
Base-Base interactions energy: -1086.379
where: short stacking energy: -491.824
Base-Backbone interact. energy: 2.017
local terms energy: -540.539760
where:
bonds (distance) C4'-P energy: -110.690
bonds (distance) P-C4' energy: -102.054
flat angles C4'-P-C4' energy: -119.418
flat angles P-C4'-P energy: -68.602
tors. eta vs tors. theta energy: -139.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1493.709730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.709730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.709730 (E_RNA)
where:
Base-Base interactions energy: -989.375
where: short stacking energy: -457.255
Base-Backbone interact. energy: -1.411
local terms energy: -502.923644
where:
bonds (distance) C4'-P energy: -94.414
bonds (distance) P-C4' energy: -101.353
flat angles C4'-P-C4' energy: -106.935
flat angles P-C4'-P energy: -65.948
tors. eta vs tors. theta energy: -134.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1213.090596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.090596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.090596 (E_RNA)
where:
Base-Base interactions energy: -751.267
where: short stacking energy: -329.227
Base-Backbone interact. energy: -1.605
local terms energy: -460.217971
where:
bonds (distance) C4'-P energy: -100.877
bonds (distance) P-C4' energy: -112.954
flat angles C4'-P-C4' energy: -103.831
flat angles P-C4'-P energy: -58.613
tors. eta vs tors. theta energy: -83.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -957.263670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.263670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.263670 (E_RNA)
where:
Base-Base interactions energy: -565.178
where: short stacking energy: -268.897
Base-Backbone interact. energy: -0.327
local terms energy: -391.759184
where:
bonds (distance) C4'-P energy: -94.858
bonds (distance) P-C4' energy: -96.391
flat angles C4'-P-C4' energy: -91.249
flat angles P-C4'-P energy: -71.762
tors. eta vs tors. theta energy: -37.499
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: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -499.302462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.302462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.302462 (E_RNA)
where:
Base-Base interactions energy: -179.422
where: short stacking energy: -134.728
Base-Backbone interact. energy: 0.672
local terms energy: -320.551664
where:
bonds (distance) C4'-P energy: -98.159
bonds (distance) P-C4' energy: -96.711
flat angles C4'-P-C4' energy: -88.688
flat angles P-C4'-P energy: -55.084
tors. eta vs tors. theta energy: 18.090
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: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -464.916760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.916760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.916760 (E_RNA)
where:
Base-Base interactions energy: -160.646
where: short stacking energy: -122.293
Base-Backbone interact. energy: 0.034
local terms energy: -304.304237
where:
bonds (distance) C4'-P energy: -107.378
bonds (distance) P-C4' energy: -104.314
flat angles C4'-P-C4' energy: -70.883
flat angles P-C4'-P energy: -37.652
tors. eta vs tors. theta energy: 15.923
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: 144
Temperature: 0.900000
Total energy: -2022.613877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.613877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.613877 (E_RNA)
where:
Base-Base interactions energy: -1419.966
where: short stacking energy: -594.333
Base-Backbone interact. energy: -3.704
local terms energy: -598.943699
where:
bonds (distance) C4'-P energy: -106.416
bonds (distance) P-C4' energy: -115.494
flat angles C4'-P-C4' energy: -133.233
flat angles P-C4'-P energy: -68.195
tors. eta vs tors. theta energy: -175.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1895.661073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.661073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.661073 (E_RNA)
where:
Base-Base interactions energy: -1293.352
where: short stacking energy: -583.148
Base-Backbone interact. energy: -2.871
local terms energy: -599.437893
where:
bonds (distance) C4'-P energy: -105.082
bonds (distance) P-C4' energy: -117.116
flat angles C4'-P-C4' energy: -126.360
flat angles P-C4'-P energy: -77.658
tors. eta vs tors. theta energy: -173.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1711.094750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.094750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.094750 (E_RNA)
where:
Base-Base interactions energy: -1115.896
where: short stacking energy: -493.256
Base-Backbone interact. energy: -1.746
local terms energy: -593.453249
where:
bonds (distance) C4'-P energy: -115.529
bonds (distance) P-C4' energy: -108.313
flat angles C4'-P-C4' energy: -122.206
flat angles P-C4'-P energy: -94.004
tors. eta vs tors. theta energy: -153.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1703.868383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.868383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.868383 (E_RNA)
where:
Base-Base interactions energy: -1171.821
where: short stacking energy: -488.234
Base-Backbone interact. energy: 4.312
local terms energy: -536.359629
where:
bonds (distance) C4'-P energy: -119.713
bonds (distance) P-C4' energy: -109.090
flat angles C4'-P-C4' energy: -129.497
flat angles P-C4'-P energy: -68.754
tors. eta vs tors. theta energy: -109.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1531.671812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.671812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.671812 (E_RNA)
where:
Base-Base interactions energy: -998.035
where: short stacking energy: -444.810
Base-Backbone interact. energy: -2.548
local terms energy: -531.088961
where:
bonds (distance) C4'-P energy: -98.458
bonds (distance) P-C4' energy: -107.223
flat angles C4'-P-C4' energy: -117.597
flat angles P-C4'-P energy: -80.283
tors. eta vs tors. theta energy: -127.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1474.540247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.540247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.540247 (E_RNA)
where:
Base-Base interactions energy: -992.556
where: short stacking energy: -416.193
Base-Backbone interact. energy: -3.237
local terms energy: -478.746835
where:
bonds (distance) C4'-P energy: -100.974
bonds (distance) P-C4' energy: -94.860
flat angles C4'-P-C4' energy: -117.695
flat angles P-C4'-P energy: -61.995
tors. eta vs tors. theta energy: -103.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1177.963811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.963811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.963811 (E_RNA)
where:
Base-Base interactions energy: -750.331
where: short stacking energy: -353.460
Base-Backbone interact. energy: 1.150
local terms energy: -428.782768
where:
bonds (distance) C4'-P energy: -93.541
bonds (distance) P-C4' energy: -110.997
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -46.058
tors. eta vs tors. theta energy: -70.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1061.304887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.304887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.304887 (E_RNA)
where:
Base-Base interactions energy: -657.004
where: short stacking energy: -317.996
Base-Backbone interact. energy: 3.591
local terms energy: -407.891901
where:
bonds (distance) C4'-P energy: -87.230
bonds (distance) P-C4' energy: -98.709
flat angles C4'-P-C4' energy: -95.459
flat angles P-C4'-P energy: -63.251
tors. eta vs tors. theta energy: -63.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -476.823041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.823041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.823041 (E_RNA)
where:
Base-Base interactions energy: -189.188
where: short stacking energy: -147.614
Base-Backbone interact. energy: 1.769
local terms energy: -289.404200
where:
bonds (distance) C4'-P energy: -84.212
bonds (distance) P-C4' energy: -96.144
flat angles C4'-P-C4' energy: -90.743
flat angles P-C4'-P energy: -38.257
tors. eta vs tors. theta energy: 19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -463.042397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.042397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.042397 (E_RNA)
where:
Base-Base interactions energy: -153.181
where: short stacking energy: -127.611
Base-Backbone interact. energy: 4.128
local terms energy: -313.989139
where:
bonds (distance) C4'-P energy: -101.221
bonds (distance) P-C4' energy: -102.075
flat angles C4'-P-C4' energy: -74.911
flat angles P-C4'-P energy: -52.860
tors. eta vs tors. theta energy: 17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2034.476566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.476566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.476566 (E_RNA)
where:
Base-Base interactions energy: -1400.288
where: short stacking energy: -583.953
Base-Backbone interact. energy: 0.173
local terms energy: -634.361683
where:
bonds (distance) C4'-P energy: -122.905
bonds (distance) P-C4' energy: -127.536
flat angles C4'-P-C4' energy: -127.186
flat angles P-C4'-P energy: -80.232
tors. eta vs tors. theta energy: -176.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1913.218970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.218970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.218970 (E_RNA)
where:
Base-Base interactions energy: -1266.761
where: short stacking energy: -568.571
Base-Backbone interact. energy: -2.459
local terms energy: -643.998924
where:
bonds (distance) C4'-P energy: -119.664
bonds (distance) P-C4' energy: -121.810
flat angles C4'-P-C4' energy: -126.824
flat angles P-C4'-P energy: -100.475
tors. eta vs tors. theta energy: -175.226
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: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1793.535988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.535988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.535988 (E_RNA)
where:
Base-Base interactions energy: -1206.571
where: short stacking energy: -511.718
Base-Backbone interact. energy: -1.295
local terms energy: -585.669587
where:
bonds (distance) C4'-P energy: -104.661
bonds (distance) P-C4' energy: -104.566
flat angles C4'-P-C4' energy: -139.286
flat angles P-C4'-P energy: -76.747
tors. eta vs tors. theta energy: -160.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1760.644201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.644201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.644201 (E_RNA)
where:
Base-Base interactions energy: -1247.737
where: short stacking energy: -472.540
Base-Backbone interact. energy: -0.334
local terms energy: -512.572729
where:
bonds (distance) C4'-P energy: -104.212
bonds (distance) P-C4' energy: -110.795
flat angles C4'-P-C4' energy: -114.663
flat angles P-C4'-P energy: -62.549
tors. eta vs tors. theta energy: -120.354
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: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1583.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.399671 (E_RNA)
where:
Base-Base interactions energy: -1018.295
where: short stacking energy: -464.849
Base-Backbone interact. energy: -3.913
local terms energy: -561.192312
where:
bonds (distance) C4'-P energy: -121.986
bonds (distance) P-C4' energy: -121.409
flat angles C4'-P-C4' energy: -105.336
flat angles P-C4'-P energy: -76.867
tors. eta vs tors. theta energy: -135.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1463.711141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.711141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.711141 (E_RNA)
where:
Base-Base interactions energy: -1005.995
where: short stacking energy: -423.898
Base-Backbone interact. energy: -0.660
local terms energy: -457.056363
where:
bonds (distance) C4'-P energy: -96.987
bonds (distance) P-C4' energy: -110.279
flat angles C4'-P-C4' energy: -91.886
flat angles P-C4'-P energy: -52.975
tors. eta vs tors. theta energy: -104.929
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: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1196.072309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.072309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.072309 (E_RNA)
where:
Base-Base interactions energy: -752.590
where: short stacking energy: -331.613
Base-Backbone interact. energy: -0.485
local terms energy: -442.997115
where:
bonds (distance) C4'-P energy: -96.965
bonds (distance) P-C4' energy: -115.254
flat angles C4'-P-C4' energy: -101.517
flat angles P-C4'-P energy: -58.891
tors. eta vs tors. theta energy: -70.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1098.396627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.396627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.396627 (E_RNA)
where:
Base-Base interactions energy: -694.043
where: short stacking energy: -311.715
Base-Backbone interact. energy: 0.655
local terms energy: -405.008836
where:
bonds (distance) C4'-P energy: -103.939
bonds (distance) P-C4' energy: -83.750
flat angles C4'-P-C4' energy: -100.603
flat angles P-C4'-P energy: -57.509
tors. eta vs tors. theta energy: -59.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -508.421136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.421136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.421136 (E_RNA)
where:
Base-Base interactions energy: -206.462
where: short stacking energy: -152.773
Base-Backbone interact. energy: 0.397
local terms energy: -302.355616
where:
bonds (distance) C4'-P energy: -91.337
bonds (distance) P-C4' energy: -86.174
flat angles C4'-P-C4' energy: -89.698
flat angles P-C4'-P energy: -49.200
tors. eta vs tors. theta energy: 14.054
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: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -457.510120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.510120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.510120 (E_RNA)
where:
Base-Base interactions energy: -187.987
where: short stacking energy: -150.688
Base-Backbone interact. energy: 0.387
local terms energy: -269.909779
where:
bonds (distance) C4'-P energy: -87.473
bonds (distance) P-C4' energy: -94.504
flat angles C4'-P-C4' energy: -57.797
flat angles P-C4'-P energy: -53.516
tors. eta vs tors. theta energy: 23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2021.190950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.190950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.190950 (E_RNA)
where:
Base-Base interactions energy: -1401.768
where: short stacking energy: -578.202
Base-Backbone interact. energy: -2.587
local terms energy: -616.835671
where:
bonds (distance) C4'-P energy: -109.892
bonds (distance) P-C4' energy: -103.935
flat angles C4'-P-C4' energy: -138.519
flat angles P-C4'-P energy: -86.411
tors. eta vs tors. theta energy: -178.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1868.657083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.657083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.657083 (E_RNA)
where:
Base-Base interactions energy: -1270.932
where: short stacking energy: -533.986
Base-Backbone interact. energy: -2.128
local terms energy: -595.597050
where:
bonds (distance) C4'-P energy: -110.463
bonds (distance) P-C4' energy: -124.962
flat angles C4'-P-C4' energy: -112.937
flat angles P-C4'-P energy: -79.769
tors. eta vs tors. theta energy: -167.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1801.277491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.277491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.277491 (E_RNA)
where:
Base-Base interactions energy: -1225.683
where: short stacking energy: -486.704
Base-Backbone interact. energy: -5.245
local terms energy: -570.348586
where:
bonds (distance) C4'-P energy: -100.367
bonds (distance) P-C4' energy: -111.034
flat angles C4'-P-C4' energy: -126.512
flat angles P-C4'-P energy: -85.319
tors. eta vs tors. theta energy: -147.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1677.728529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.728529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.728529 (E_RNA)
where:
Base-Base interactions energy: -1098.924
where: short stacking energy: -479.045
Base-Backbone interact. energy: -1.920
local terms energy: -576.885206
where:
bonds (distance) C4'-P energy: -101.071
bonds (distance) P-C4' energy: -108.094
flat angles C4'-P-C4' energy: -131.292
flat angles P-C4'-P energy: -83.520
tors. eta vs tors. theta energy: -152.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1600.638165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.638165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.638165 (E_RNA)
where:
Base-Base interactions energy: -1051.402
where: short stacking energy: -483.135
Base-Backbone interact. energy: -1.623
local terms energy: -547.613157
where:
bonds (distance) C4'-P energy: -95.557
bonds (distance) P-C4' energy: -117.792
flat angles C4'-P-C4' energy: -117.442
flat angles P-C4'-P energy: -76.202
tors. eta vs tors. theta energy: -140.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1413.507706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.507706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.507706 (E_RNA)
where:
Base-Base interactions energy: -924.187
where: short stacking energy: -404.599
Base-Backbone interact. energy: -0.228
local terms energy: -489.092951
where:
bonds (distance) C4'-P energy: -98.646
bonds (distance) P-C4' energy: -92.662
flat angles C4'-P-C4' energy: -126.457
flat angles P-C4'-P energy: -72.356
tors. eta vs tors. theta energy: -98.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1232.839346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.839346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.839346 (E_RNA)
where:
Base-Base interactions energy: -728.789
where: short stacking energy: -310.214
Base-Backbone interact. energy: -2.417
local terms energy: -501.633316
where:
bonds (distance) C4'-P energy: -125.761
bonds (distance) P-C4' energy: -116.020
flat angles C4'-P-C4' energy: -102.337
flat angles P-C4'-P energy: -77.097
tors. eta vs tors. theta energy: -80.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -979.303566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.303566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.303566 (E_RNA)
where:
Base-Base interactions energy: -597.287
where: short stacking energy: -260.543
Base-Backbone interact. energy: 0.432
local terms energy: -382.448349
where:
bonds (distance) C4'-P energy: -78.535
bonds (distance) P-C4' energy: -100.117
flat angles C4'-P-C4' energy: -77.574
flat angles P-C4'-P energy: -74.250
tors. eta vs tors. theta energy: -51.973
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: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -555.848042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.848042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.848042 (E_RNA)
where:
Base-Base interactions energy: -245.963
where: short stacking energy: -152.322
Base-Backbone interact. energy: -1.745
local terms energy: -308.140753
where:
bonds (distance) C4'-P energy: -96.742
bonds (distance) P-C4' energy: -102.870
flat angles C4'-P-C4' energy: -78.324
flat angles P-C4'-P energy: -59.138
tors. eta vs tors. theta energy: 28.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -443.211493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.211493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.211493 (E_RNA)
where:
Base-Base interactions energy: -153.146
where: short stacking energy: -140.198
Base-Backbone interact. energy: -0.779
local terms energy: -289.286378
where:
bonds (distance) C4'-P energy: -85.555
bonds (distance) P-C4' energy: -103.439
flat angles C4'-P-C4' energy: -79.093
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: 18.676
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: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2055.967705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.967705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.967705 (E_RNA)
where:
Base-Base interactions energy: -1394.707
where: short stacking energy: -592.485
Base-Backbone interact. energy: 1.177
local terms energy: -662.437401
where:
bonds (distance) C4'-P energy: -120.118
bonds (distance) P-C4' energy: -121.736
flat angles C4'-P-C4' energy: -144.749
flat angles P-C4'-P energy: -92.557
tors. eta vs tors. theta energy: -183.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1921.971271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.971271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.971271 (E_RNA)
where:
Base-Base interactions energy: -1325.952
where: short stacking energy: -575.127
Base-Backbone interact. energy: -1.096
local terms energy: -594.923725
where:
bonds (distance) C4'-P energy: -109.884
bonds (distance) P-C4' energy: -109.807
flat angles C4'-P-C4' energy: -127.573
flat angles P-C4'-P energy: -82.372
tors. eta vs tors. theta energy: -165.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1835.476688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.476688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.476688 (E_RNA)
where:
Base-Base interactions energy: -1256.322
where: short stacking energy: -511.044
Base-Backbone interact. energy: 1.514
local terms energy: -580.668151
where:
bonds (distance) C4'-P energy: -111.703
bonds (distance) P-C4' energy: -118.481
flat angles C4'-P-C4' energy: -137.625
flat angles P-C4'-P energy: -75.512
tors. eta vs tors. theta energy: -137.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1690.868753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.868753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.868753 (E_RNA)
where:
Base-Base interactions energy: -1109.046
where: short stacking energy: -483.923
Base-Backbone interact. energy: -1.798
local terms energy: -580.024260
where:
bonds (distance) C4'-P energy: -101.177
bonds (distance) P-C4' energy: -110.511
flat angles C4'-P-C4' energy: -121.240
flat angles P-C4'-P energy: -88.646
tors. eta vs tors. theta energy: -158.451
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: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1535.825104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.825104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.825104 (E_RNA)
where:
Base-Base interactions energy: -1004.778
where: short stacking energy: -466.545
Base-Backbone interact. energy: -1.706
local terms energy: -529.341127
where:
bonds (distance) C4'-P energy: -103.894
bonds (distance) P-C4' energy: -103.043
flat angles C4'-P-C4' energy: -120.698
flat angles P-C4'-P energy: -75.534
tors. eta vs tors. theta energy: -126.172
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: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1455.303391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.303391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.303391 (E_RNA)
where:
Base-Base interactions energy: -961.640
where: short stacking energy: -405.025
Base-Backbone interact. energy: -4.675
local terms energy: -488.988451
where:
bonds (distance) C4'-P energy: -95.086
bonds (distance) P-C4' energy: -105.691
flat angles C4'-P-C4' energy: -112.794
flat angles P-C4'-P energy: -71.411
tors. eta vs tors. theta energy: -104.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1164.722867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.722867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.722867 (E_RNA)
where:
Base-Base interactions energy: -721.404
where: short stacking energy: -346.439
Base-Backbone interact. energy: -1.099
local terms energy: -442.219546
where:
bonds (distance) C4'-P energy: -96.549
bonds (distance) P-C4' energy: -114.078
flat angles C4'-P-C4' energy: -89.020
flat angles P-C4'-P energy: -64.678
tors. eta vs tors. theta energy: -77.894
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: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1043.730436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.730436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.730436 (E_RNA)
where:
Base-Base interactions energy: -651.880
where: short stacking energy: -310.775
Base-Backbone interact. energy: -1.365
local terms energy: -390.485366
where:
bonds (distance) C4'-P energy: -93.115
bonds (distance) P-C4' energy: -94.222
flat angles C4'-P-C4' energy: -91.626
flat angles P-C4'-P energy: -67.773
tors. eta vs tors. theta energy: -43.749
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: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -537.169112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.169112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.169112 (E_RNA)
where:
Base-Base interactions energy: -212.139
where: short stacking energy: -165.569
Base-Backbone interact. energy: -2.777
local terms energy: -322.252404
where:
bonds (distance) C4'-P energy: -96.565
bonds (distance) P-C4' energy: -88.887
flat angles C4'-P-C4' energy: -87.841
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -465.720399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.720399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.720399 (E_RNA)
where:
Base-Base interactions energy: -138.122
where: short stacking energy: -118.615
Base-Backbone interact. energy: 1.823
local terms energy: -329.421349
where:
bonds (distance) C4'-P energy: -98.193
bonds (distance) P-C4' energy: -110.298
flat angles C4'-P-C4' energy: -83.708
flat angles P-C4'-P energy: -55.057
tors. eta vs tors. theta energy: 17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2054.167106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.167106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.167106 (E_RNA)
where:
Base-Base interactions energy: -1417.251
where: short stacking energy: -591.853
Base-Backbone interact. energy: -2.132
local terms energy: -634.783809
where:
bonds (distance) C4'-P energy: -110.031
bonds (distance) P-C4' energy: -128.922
flat angles C4'-P-C4' energy: -133.749
flat angles P-C4'-P energy: -82.916
tors. eta vs tors. theta energy: -179.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1910.287438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.287438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.287438 (E_RNA)
where:
Base-Base interactions energy: -1299.302
where: short stacking energy: -574.620
Base-Backbone interact. energy: -0.614
local terms energy: -610.371818
where:
bonds (distance) C4'-P energy: -105.770
bonds (distance) P-C4' energy: -102.589
flat angles C4'-P-C4' energy: -133.592
flat angles P-C4'-P energy: -90.658
tors. eta vs tors. theta energy: -177.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1863.241023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.241023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.241023 (E_RNA)
where:
Base-Base interactions energy: -1304.596
where: short stacking energy: -514.909
Base-Backbone interact. energy: -2.119
local terms energy: -556.525912
where:
bonds (distance) C4'-P energy: -102.450
bonds (distance) P-C4' energy: -113.507
flat angles C4'-P-C4' energy: -126.243
flat angles P-C4'-P energy: -73.889
tors. eta vs tors. theta energy: -140.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1738.286623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.286623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.286623 (E_RNA)
where:
Base-Base interactions energy: -1162.347
where: short stacking energy: -522.861
Base-Backbone interact. energy: -3.093
local terms energy: -572.845929
where:
bonds (distance) C4'-P energy: -122.235
bonds (distance) P-C4' energy: -88.132
flat angles C4'-P-C4' energy: -122.614
flat angles P-C4'-P energy: -81.411
tors. eta vs tors. theta energy: -158.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1517.341620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.341620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.341620 (E_RNA)
where:
Base-Base interactions energy: -995.290
where: short stacking energy: -451.933
Base-Backbone interact. energy: -0.706
local terms energy: -521.346040
where:
bonds (distance) C4'-P energy: -89.484
bonds (distance) P-C4' energy: -113.871
flat angles C4'-P-C4' energy: -123.935
flat angles P-C4'-P energy: -69.529
tors. eta vs tors. theta energy: -124.526
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: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1456.129041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.129041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.129041 (E_RNA)
where:
Base-Base interactions energy: -956.832
where: short stacking energy: -414.921
Base-Backbone interact. energy: -5.089
local terms energy: -494.208214
where:
bonds (distance) C4'-P energy: -108.872
bonds (distance) P-C4' energy: -111.711
flat angles C4'-P-C4' energy: -104.257
flat angles P-C4'-P energy: -63.652
tors. eta vs tors. theta energy: -105.716
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: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1142.394904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.394904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.394904 (E_RNA)
where:
Base-Base interactions energy: -699.886
where: short stacking energy: -321.624
Base-Backbone interact. energy: 2.976
local terms energy: -445.485123
where:
bonds (distance) C4'-P energy: -98.977
bonds (distance) P-C4' energy: -107.441
flat angles C4'-P-C4' energy: -112.463
flat angles P-C4'-P energy: -69.532
tors. eta vs tors. theta energy: -57.071
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: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1051.460047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.460047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.460047 (E_RNA)
where:
Base-Base interactions energy: -626.595
where: short stacking energy: -298.337
Base-Backbone interact. energy: -1.587
local terms energy: -423.278441
where:
bonds (distance) C4'-P energy: -88.801
bonds (distance) P-C4' energy: -104.064
flat angles C4'-P-C4' energy: -95.064
flat angles P-C4'-P energy: -55.146
tors. eta vs tors. theta energy: -80.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -496.361729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.361729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.361729 (E_RNA)
where:
Base-Base interactions energy: -178.862
where: short stacking energy: -129.515
Base-Backbone interact. energy: 0.241
local terms energy: -317.740660
where:
bonds (distance) C4'-P energy: -94.077
bonds (distance) P-C4' energy: -105.718
flat angles C4'-P-C4' energy: -82.705
flat angles P-C4'-P energy: -51.169
tors. eta vs tors. theta energy: 15.928
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: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -499.056640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.056640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.056640 (E_RNA)
where:
Base-Base interactions energy: -201.681
where: short stacking energy: -134.772
Base-Backbone interact. energy: -3.405
local terms energy: -293.970618
where:
bonds (distance) C4'-P energy: -97.180
bonds (distance) P-C4' energy: -90.174
flat angles C4'-P-C4' energy: -82.240
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: 13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2048.262608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.262608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.262608 (E_RNA)
where:
Base-Base interactions energy: -1404.153
where: short stacking energy: -604.887
Base-Backbone interact. energy: -5.732
local terms energy: -638.377281
where:
bonds (distance) C4'-P energy: -121.840
bonds (distance) P-C4' energy: -120.230
flat angles C4'-P-C4' energy: -129.148
flat angles P-C4'-P energy: -88.481
tors. eta vs tors. theta energy: -178.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1932.644981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.644981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.644981 (E_RNA)
where:
Base-Base interactions energy: -1368.800
where: short stacking energy: -551.419
Base-Backbone interact. energy: -3.875
local terms energy: -559.970355
where:
bonds (distance) C4'-P energy: -109.315
bonds (distance) P-C4' energy: -107.592
flat angles C4'-P-C4' energy: -126.387
flat angles P-C4'-P energy: -79.175
tors. eta vs tors. theta energy: -137.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1872.237556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.237556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.237556 (E_RNA)
where:
Base-Base interactions energy: -1264.765
where: short stacking energy: -572.177
Base-Backbone interact. energy: -1.115
local terms energy: -606.357182
where:
bonds (distance) C4'-P energy: -115.150
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -133.751
flat angles P-C4'-P energy: -77.192
tors. eta vs tors. theta energy: -171.984
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: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1732.154762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.154762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.154762 (E_RNA)
where:
Base-Base interactions energy: -1164.568
where: short stacking energy: -518.300
Base-Backbone interact. energy: -1.525
local terms energy: -566.062109
where:
bonds (distance) C4'-P energy: -114.585
bonds (distance) P-C4' energy: -119.842
flat angles C4'-P-C4' energy: -116.010
flat angles P-C4'-P energy: -62.198
tors. eta vs tors. theta energy: -153.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1562.742499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.742499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.742499 (E_RNA)
where:
Base-Base interactions energy: -1010.770
where: short stacking energy: -481.753
Base-Backbone interact. energy: 0.530
local terms energy: -552.502900
where:
bonds (distance) C4'-P energy: -113.925
bonds (distance) P-C4' energy: -103.786
flat angles C4'-P-C4' energy: -115.784
flat angles P-C4'-P energy: -82.171
tors. eta vs tors. theta energy: -136.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1518.505622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.505622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.505622 (E_RNA)
where:
Base-Base interactions energy: -1012.332
where: short stacking energy: -432.425
Base-Backbone interact. energy: -1.493
local terms energy: -504.680226
where:
bonds (distance) C4'-P energy: -97.931
bonds (distance) P-C4' energy: -105.995
flat angles C4'-P-C4' energy: -122.065
flat angles P-C4'-P energy: -77.995
tors. eta vs tors. theta energy: -100.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1156.574633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.574633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.574633 (E_RNA)
where:
Base-Base interactions energy: -741.149
where: short stacking energy: -338.891
Base-Backbone interact. energy: 1.612
local terms energy: -417.037217
where:
bonds (distance) C4'-P energy: -89.600
bonds (distance) P-C4' energy: -103.672
flat angles C4'-P-C4' energy: -84.610
flat angles P-C4'-P energy: -63.506
tors. eta vs tors. theta energy: -75.650
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: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1000.314449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.314449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.314449 (E_RNA)
where:
Base-Base interactions energy: -622.702
where: short stacking energy: -286.356
Base-Backbone interact. energy: -3.127
local terms energy: -374.485479
where:
bonds (distance) C4'-P energy: -90.332
bonds (distance) P-C4' energy: -103.412
flat angles C4'-P-C4' energy: -81.378
flat angles P-C4'-P energy: -52.067
tors. eta vs tors. theta energy: -47.296
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: 149
Temperature: 1.300000
Total energy: -492.612302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.612302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.612302 (E_RNA)
where:
Base-Base interactions energy: -179.889
where: short stacking energy: -140.873
Base-Backbone interact. energy: 3.184
local terms energy: -315.907144
where:
bonds (distance) C4'-P energy: -91.796
bonds (distance) P-C4' energy: -105.063
flat angles C4'-P-C4' energy: -78.416
flat angles P-C4'-P energy: -47.598
tors. eta vs tors. theta energy: 6.966
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: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -487.855189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.855189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.855189 (E_RNA)
where:
Base-Base interactions energy: -182.155
where: short stacking energy: -130.508
Base-Backbone interact. energy: -0.628
local terms energy: -305.072367
where:
bonds (distance) C4'-P energy: -88.529
bonds (distance) P-C4' energy: -99.473
flat angles C4'-P-C4' energy: -102.328
flat angles P-C4'-P energy: -44.790
tors. eta vs tors. theta energy: 30.048
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: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2045.696138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.696138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.696138 (E_RNA)
where:
Base-Base interactions energy: -1405.683
where: short stacking energy: -575.254
Base-Backbone interact. energy: 1.696
local terms energy: -641.708601
where:
bonds (distance) C4'-P energy: -115.139
bonds (distance) P-C4' energy: -124.087
flat angles C4'-P-C4' energy: -134.307
flat angles P-C4'-P energy: -87.595
tors. eta vs tors. theta energy: -180.581
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: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1932.450744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.450744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.450744 (E_RNA)
where:
Base-Base interactions energy: -1344.410
where: short stacking energy: -552.094
Base-Backbone interact. energy: -1.318
local terms energy: -586.722926
where:
bonds (distance) C4'-P energy: -111.945
bonds (distance) P-C4' energy: -114.419
flat angles C4'-P-C4' energy: -132.680
flat angles P-C4'-P energy: -84.110
tors. eta vs tors. theta energy: -143.570
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: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1772.787898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.787898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.787898 (E_RNA)
where:
Base-Base interactions energy: -1186.545
where: short stacking energy: -508.043
Base-Backbone interact. energy: -3.122
local terms energy: -583.121355
where:
bonds (distance) C4'-P energy: -112.685
bonds (distance) P-C4' energy: -117.317
flat angles C4'-P-C4' energy: -121.399
flat angles P-C4'-P energy: -86.591
tors. eta vs tors. theta energy: -145.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1839.860851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.860851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.860851 (E_RNA)
where:
Base-Base interactions energy: -1251.646
where: short stacking energy: -553.764
Base-Backbone interact. energy: 1.692
local terms energy: -589.906885
where:
bonds (distance) C4'-P energy: -99.161
bonds (distance) P-C4' energy: -117.068
flat angles C4'-P-C4' energy: -125.509
flat angles P-C4'-P energy: -79.656
tors. eta vs tors. theta energy: -168.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1557.003261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.003261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.003261 (E_RNA)
where:
Base-Base interactions energy: -1017.245
where: short stacking energy: -437.472
Base-Backbone interact. energy: 9.155
local terms energy: -548.913373
where:
bonds (distance) C4'-P energy: -104.669
bonds (distance) P-C4' energy: -110.827
flat angles C4'-P-C4' energy: -132.150
flat angles P-C4'-P energy: -83.936
tors. eta vs tors. theta energy: -117.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1417.069172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.069172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.069172 (E_RNA)
where:
Base-Base interactions energy: -921.266
where: short stacking energy: -415.401
Base-Backbone interact. energy: -2.388
local terms energy: -493.415837
where:
bonds (distance) C4'-P energy: -96.197
bonds (distance) P-C4' energy: -109.114
flat angles C4'-P-C4' energy: -106.266
flat angles P-C4'-P energy: -72.926
tors. eta vs tors. theta energy: -108.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1189.923265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.923265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.923265 (E_RNA)
where:
Base-Base interactions energy: -733.226
where: short stacking energy: -334.075
Base-Backbone interact. energy: 4.672
local terms energy: -461.369183
where:
bonds (distance) C4'-P energy: -100.389
bonds (distance) P-C4' energy: -117.804
flat angles C4'-P-C4' energy: -105.180
flat angles P-C4'-P energy: -74.510
tors. eta vs tors. theta energy: -63.486
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: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1045.867282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.867282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.867282 (E_RNA)
where:
Base-Base interactions energy: -645.197
where: short stacking energy: -277.344
Base-Backbone interact. energy: -2.964
local terms energy: -397.706204
where:
bonds (distance) C4'-P energy: -81.435
bonds (distance) P-C4' energy: -102.115
flat angles C4'-P-C4' energy: -99.721
flat angles P-C4'-P energy: -64.763
tors. eta vs tors. theta energy: -49.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -506.014652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.014652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.014652 (E_RNA)
where:
Base-Base interactions energy: -169.219
where: short stacking energy: -114.037
Base-Backbone interact. energy: 0.366
local terms energy: -337.161458
where:
bonds (distance) C4'-P energy: -113.301
bonds (distance) P-C4' energy: -78.854
flat angles C4'-P-C4' energy: -87.013
flat angles P-C4'-P energy: -65.041
tors. eta vs tors. theta energy: 7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -455.431148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.431148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.431148 (E_RNA)
where:
Base-Base interactions energy: -159.840
where: short stacking energy: -125.387
Base-Backbone interact. energy: -1.717
local terms energy: -293.874696
where:
bonds (distance) C4'-P energy: -97.117
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -73.855
flat angles P-C4'-P energy: -48.013
tors. eta vs tors. theta energy: 18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2007.804002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.804002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.804002 (E_RNA)
where:
Base-Base interactions energy: -1384.269
where: short stacking energy: -585.286
Base-Backbone interact. energy: -2.423
local terms energy: -621.112608
where:
bonds (distance) C4'-P energy: -122.243
bonds (distance) P-C4' energy: -124.781
flat angles C4'-P-C4' energy: -116.543
flat angles P-C4'-P energy: -86.707
tors. eta vs tors. theta energy: -170.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1941.378889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.378889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.378889 (E_RNA)
where:
Base-Base interactions energy: -1350.048
where: short stacking energy: -553.247
Base-Backbone interact. energy: -1.043
local terms energy: -590.288118
where:
bonds (distance) C4'-P energy: -114.373
bonds (distance) P-C4' energy: -115.153
flat angles C4'-P-C4' energy: -138.601
flat angles P-C4'-P energy: -79.046
tors. eta vs tors. theta energy: -143.116
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: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1762.524624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.524624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.524624 (E_RNA)
where:
Base-Base interactions energy: -1195.965
where: short stacking energy: -516.357
Base-Backbone interact. energy: 2.944
local terms energy: -569.504063
where:
bonds (distance) C4'-P energy: -115.349
bonds (distance) P-C4' energy: -107.353
flat angles C4'-P-C4' energy: -128.270
flat angles P-C4'-P energy: -63.188
tors. eta vs tors. theta energy: -155.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1820.113469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.113469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.113469 (E_RNA)
where:
Base-Base interactions energy: -1221.340
where: short stacking energy: -534.926
Base-Backbone interact. energy: -0.549
local terms energy: -598.224392
where:
bonds (distance) C4'-P energy: -106.063
bonds (distance) P-C4' energy: -131.751
flat angles C4'-P-C4' energy: -111.435
flat angles P-C4'-P energy: -90.844
tors. eta vs tors. theta energy: -158.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1607.817262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.817262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.817262 (E_RNA)
where:
Base-Base interactions energy: -1091.363
where: short stacking energy: -509.640
Base-Backbone interact. energy: -0.242
local terms energy: -516.212455
where:
bonds (distance) C4'-P energy: -112.970
bonds (distance) P-C4' energy: -93.764
flat angles C4'-P-C4' energy: -118.036
flat angles P-C4'-P energy: -55.926
tors. eta vs tors. theta energy: -135.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1488.904205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.904205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.904205 (E_RNA)
where:
Base-Base interactions energy: -983.002
where: short stacking energy: -423.828
Base-Backbone interact. energy: 1.027
local terms energy: -506.928561
where:
bonds (distance) C4'-P energy: -107.027
bonds (distance) P-C4' energy: -101.665
flat angles C4'-P-C4' energy: -104.518
flat angles P-C4'-P energy: -79.322
tors. eta vs tors. theta energy: -114.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1221.984454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.984454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.984454 (E_RNA)
where:
Base-Base interactions energy: -775.736
where: short stacking energy: -331.060
Base-Backbone interact. energy: -0.986
local terms energy: -445.262271
where:
bonds (distance) C4'-P energy: -100.139
bonds (distance) P-C4' energy: -95.253
flat angles C4'-P-C4' energy: -112.686
flat angles P-C4'-P energy: -73.763
tors. eta vs tors. theta energy: -63.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1017.030340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.030340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.030340 (E_RNA)
where:
Base-Base interactions energy: -597.683
where: short stacking energy: -290.315
Base-Backbone interact. energy: 2.029
local terms energy: -421.375693
where:
bonds (distance) C4'-P energy: -99.571
bonds (distance) P-C4' energy: -111.008
flat angles C4'-P-C4' energy: -100.266
flat angles P-C4'-P energy: -53.842
tors. eta vs tors. theta energy: -56.688
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: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -520.190559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.190559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.190559 (E_RNA)
where:
Base-Base interactions energy: -232.672
where: short stacking energy: -147.483
Base-Backbone interact. energy: 4.140
local terms energy: -291.658632
where:
bonds (distance) C4'-P energy: -90.852
bonds (distance) P-C4' energy: -92.686
flat angles C4'-P-C4' energy: -83.441
flat angles P-C4'-P energy: -43.133
tors. eta vs tors. theta energy: 18.453
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: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -443.910858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.910858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.910858 (E_RNA)
where:
Base-Base interactions energy: -137.510
where: short stacking energy: -109.804
Base-Backbone interact. energy: -0.767
local terms energy: -305.633234
where:
bonds (distance) C4'-P energy: -106.576
bonds (distance) P-C4' energy: -84.458
flat angles C4'-P-C4' energy: -75.170
flat angles P-C4'-P energy: -55.418
tors. eta vs tors. theta energy: 15.989
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: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2026.036690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.036690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.036690 (E_RNA)
where:
Base-Base interactions energy: -1407.740
where: short stacking energy: -598.276
Base-Backbone interact. energy: -0.903
local terms energy: -617.393545
where:
bonds (distance) C4'-P energy: -109.775
bonds (distance) P-C4' energy: -112.785
flat angles C4'-P-C4' energy: -131.674
flat angles P-C4'-P energy: -82.864
tors. eta vs tors. theta energy: -180.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1909.872238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.872238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.872238 (E_RNA)
where:
Base-Base interactions energy: -1320.930
where: short stacking energy: -529.493
Base-Backbone interact. energy: -2.535
local terms energy: -586.407079
where:
bonds (distance) C4'-P energy: -131.270
bonds (distance) P-C4' energy: -95.562
flat angles C4'-P-C4' energy: -123.373
flat angles P-C4'-P energy: -95.583
tors. eta vs tors. theta energy: -140.619
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: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1849.718735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.718735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.718735 (E_RNA)
where:
Base-Base interactions energy: -1267.766
where: short stacking energy: -548.362
Base-Backbone interact. energy: -2.262
local terms energy: -579.689996
where:
bonds (distance) C4'-P energy: -113.813
bonds (distance) P-C4' energy: -99.431
flat angles C4'-P-C4' energy: -130.851
flat angles P-C4'-P energy: -70.611
tors. eta vs tors. theta energy: -164.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1741.718335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.718335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.718335 (E_RNA)
where:
Base-Base interactions energy: -1153.748
where: short stacking energy: -500.676
Base-Backbone interact. energy: -1.886
local terms energy: -586.083872
where:
bonds (distance) C4'-P energy: -103.428
bonds (distance) P-C4' energy: -110.089
flat angles C4'-P-C4' energy: -136.860
flat angles P-C4'-P energy: -87.411
tors. eta vs tors. theta energy: -148.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1589.866059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.866059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.866059 (E_RNA)
where:
Base-Base interactions energy: -1065.185
where: short stacking energy: -463.878
Base-Backbone interact. energy: -1.035
local terms energy: -523.646089
where:
bonds (distance) C4'-P energy: -115.825
bonds (distance) P-C4' energy: -100.487
flat angles C4'-P-C4' energy: -104.105
flat angles P-C4'-P energy: -79.790
tors. eta vs tors. theta energy: -123.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1438.055227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.055227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.055227 (E_RNA)
where:
Base-Base interactions energy: -939.621
where: short stacking energy: -423.168
Base-Backbone interact. energy: -1.414
local terms energy: -497.019548
where:
bonds (distance) C4'-P energy: -92.892
bonds (distance) P-C4' energy: -101.484
flat angles C4'-P-C4' energy: -116.086
flat angles P-C4'-P energy: -75.078
tors. eta vs tors. theta energy: -111.480
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: 152
Temperature: 1.200000
Total energy: -1289.852733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.852733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.852733 (E_RNA)
where:
Base-Base interactions energy: -845.958
where: short stacking energy: -336.447
Base-Backbone interact. energy: 1.686
local terms energy: -445.580880
where:
bonds (distance) C4'-P energy: -89.045
bonds (distance) P-C4' energy: -102.978
flat angles C4'-P-C4' energy: -94.851
flat angles P-C4'-P energy: -72.535
tors. eta vs tors. theta energy: -86.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1028.695197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.695197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.695197 (E_RNA)
where:
Base-Base interactions energy: -618.898
where: short stacking energy: -271.803
Base-Backbone interact. energy: 0.802
local terms energy: -410.599830
where:
bonds (distance) C4'-P energy: -95.390
bonds (distance) P-C4' energy: -112.795
flat angles C4'-P-C4' energy: -96.759
flat angles P-C4'-P energy: -66.182
tors. eta vs tors. theta energy: -39.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -475.804907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.804907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.804907 (E_RNA)
where:
Base-Base interactions energy: -142.086
where: short stacking energy: -108.181
Base-Backbone interact. energy: -0.235
local terms energy: -333.483889
where:
bonds (distance) C4'-P energy: -104.805
bonds (distance) P-C4' energy: -93.226
flat angles C4'-P-C4' energy: -86.170
flat angles P-C4'-P energy: -59.494
tors. eta vs tors. theta energy: 10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -454.481654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.481654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.481654 (E_RNA)
where:
Base-Base interactions energy: -128.674
where: short stacking energy: -106.892
Base-Backbone interact. energy: -1.742
local terms energy: -324.065859
where:
bonds (distance) C4'-P energy: -103.201
bonds (distance) P-C4' energy: -104.106
flat angles C4'-P-C4' energy: -84.511
flat angles P-C4'-P energy: -59.004
tors. eta vs tors. theta energy: 26.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2040.170471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.170471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.170471 (E_RNA)
where:
Base-Base interactions energy: -1409.297
where: short stacking energy: -599.490
Base-Backbone interact. energy: -1.379
local terms energy: -629.494395
where:
bonds (distance) C4'-P energy: -115.286
bonds (distance) P-C4' energy: -117.908
flat angles C4'-P-C4' energy: -122.862
flat angles P-C4'-P energy: -95.219
tors. eta vs tors. theta energy: -178.220
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: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1904.809054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.809054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.809054 (E_RNA)
where:
Base-Base interactions energy: -1342.639
where: short stacking energy: -550.024
Base-Backbone interact. energy: -2.267
local terms energy: -559.903220
where:
bonds (distance) C4'-P energy: -99.654
bonds (distance) P-C4' energy: -105.459
flat angles C4'-P-C4' energy: -129.856
flat angles P-C4'-P energy: -82.833
tors. eta vs tors. theta energy: -142.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1850.300569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.300569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.300569 (E_RNA)
where:
Base-Base interactions energy: -1262.567
where: short stacking energy: -530.414
Base-Backbone interact. energy: -1.345
local terms energy: -586.388685
where:
bonds (distance) C4'-P energy: -113.169
bonds (distance) P-C4' energy: -93.330
flat angles C4'-P-C4' energy: -133.353
flat angles P-C4'-P energy: -88.162
tors. eta vs tors. theta energy: -158.374
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: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1779.869922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.869922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.869922 (E_RNA)
where:
Base-Base interactions energy: -1210.426
where: short stacking energy: -534.890
Base-Backbone interact. energy: -3.451
local terms energy: -565.992982
where:
bonds (distance) C4'-P energy: -108.285
bonds (distance) P-C4' energy: -106.716
flat angles C4'-P-C4' energy: -109.418
flat angles P-C4'-P energy: -87.766
tors. eta vs tors. theta energy: -153.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1611.934084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.934084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.934084 (E_RNA)
where:
Base-Base interactions energy: -1087.050
where: short stacking energy: -468.294
Base-Backbone interact. energy: -0.974
local terms energy: -523.910692
where:
bonds (distance) C4'-P energy: -107.161
bonds (distance) P-C4' energy: -106.334
flat angles C4'-P-C4' energy: -121.111
flat angles P-C4'-P energy: -61.031
tors. eta vs tors. theta energy: -128.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1434.365506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.365506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.365506 (E_RNA)
where:
Base-Base interactions energy: -934.029
where: short stacking energy: -402.934
Base-Backbone interact. energy: 3.057
local terms energy: -503.393208
where:
bonds (distance) C4'-P energy: -115.033
bonds (distance) P-C4' energy: -117.000
flat angles C4'-P-C4' energy: -111.551
flat angles P-C4'-P energy: -54.631
tors. eta vs tors. theta energy: -105.178
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: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1297.296332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.296332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.296332 (E_RNA)
where:
Base-Base interactions energy: -837.471
where: short stacking energy: -343.037
Base-Backbone interact. energy: -2.038
local terms energy: -457.787017
where:
bonds (distance) C4'-P energy: -110.675
bonds (distance) P-C4' energy: -95.270
flat angles C4'-P-C4' energy: -99.507
flat angles P-C4'-P energy: -69.039
tors. eta vs tors. theta energy: -83.296
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: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1075.258431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.258431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.258431 (E_RNA)
where:
Base-Base interactions energy: -665.385
where: short stacking energy: -323.574
Base-Backbone interact. energy: 2.571
local terms energy: -412.444778
where:
bonds (distance) C4'-P energy: -93.090
bonds (distance) P-C4' energy: -98.530
flat angles C4'-P-C4' energy: -112.993
flat angles P-C4'-P energy: -55.489
tors. eta vs tors. theta energy: -52.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -521.882803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.882803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.882803 (E_RNA)
where:
Base-Base interactions energy: -190.051
where: short stacking energy: -148.837
Base-Backbone interact. energy: -1.258
local terms energy: -330.573998
where:
bonds (distance) C4'-P energy: -90.866
bonds (distance) P-C4' energy: -99.439
flat angles C4'-P-C4' energy: -96.348
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: 7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -489.195103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.195103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.195103 (E_RNA)
where:
Base-Base interactions energy: -191.355
where: short stacking energy: -107.218
Base-Backbone interact. energy: -4.931
local terms energy: -292.909103
where:
bonds (distance) C4'-P energy: -88.864
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -71.806
flat angles P-C4'-P energy: -53.539
tors. eta vs tors. theta energy: 20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2008.745387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.745387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.745387 (E_RNA)
where:
Base-Base interactions energy: -1390.962
where: short stacking energy: -578.882
Base-Backbone interact. energy: -2.322
local terms energy: -615.461415
where:
bonds (distance) C4'-P energy: -112.662
bonds (distance) P-C4' energy: -112.114
flat angles C4'-P-C4' energy: -138.231
flat angles P-C4'-P energy: -90.799
tors. eta vs tors. theta energy: -161.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1902.483203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.483203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.483203 (E_RNA)
where:
Base-Base interactions energy: -1310.132
where: short stacking energy: -511.917
Base-Backbone interact. energy: -1.106
local terms energy: -591.245005
where:
bonds (distance) C4'-P energy: -110.769
bonds (distance) P-C4' energy: -119.905
flat angles C4'-P-C4' energy: -133.017
flat angles P-C4'-P energy: -82.863
tors. eta vs tors. theta energy: -144.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1873.907991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.907991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.907991 (E_RNA)
where:
Base-Base interactions energy: -1289.186
where: short stacking energy: -547.229
Base-Backbone interact. energy: 1.267
local terms energy: -585.989127
where:
bonds (distance) C4'-P energy: -98.697
bonds (distance) P-C4' energy: -111.835
flat angles C4'-P-C4' energy: -131.615
flat angles P-C4'-P energy: -88.860
tors. eta vs tors. theta energy: -154.983
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: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1748.126083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.126083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.126083 (E_RNA)
where:
Base-Base interactions energy: -1182.199
where: short stacking energy: -519.093
Base-Backbone interact. energy: -2.824
local terms energy: -563.103591
where:
bonds (distance) C4'-P energy: -105.932
bonds (distance) P-C4' energy: -104.585
flat angles C4'-P-C4' energy: -115.187
flat angles P-C4'-P energy: -78.209
tors. eta vs tors. theta energy: -159.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1599.138835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.138835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.138835 (E_RNA)
where:
Base-Base interactions energy: -1061.976
where: short stacking energy: -454.162
Base-Backbone interact. energy: 0.651
local terms energy: -537.814215
where:
bonds (distance) C4'-P energy: -102.872
bonds (distance) P-C4' energy: -113.578
flat angles C4'-P-C4' energy: -121.322
flat angles P-C4'-P energy: -68.866
tors. eta vs tors. theta energy: -131.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1428.650805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.650805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.650805 (E_RNA)
where:
Base-Base interactions energy: -903.743
where: short stacking energy: -424.466
Base-Backbone interact. energy: 0.539
local terms energy: -525.446760
where:
bonds (distance) C4'-P energy: -113.119
bonds (distance) P-C4' energy: -99.739
flat angles C4'-P-C4' energy: -122.073
flat angles P-C4'-P energy: -77.766
tors. eta vs tors. theta energy: -112.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1265.286777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.286777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.286777 (E_RNA)
where:
Base-Base interactions energy: -820.436
where: short stacking energy: -348.408
Base-Backbone interact. energy: 1.531
local terms energy: -446.381536
where:
bonds (distance) C4'-P energy: -85.109
bonds (distance) P-C4' energy: -105.545
flat angles C4'-P-C4' energy: -107.521
flat angles P-C4'-P energy: -73.847
tors. eta vs tors. theta energy: -74.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1102.895733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.895733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.895733 (E_RNA)
where:
Base-Base interactions energy: -673.247
where: short stacking energy: -313.332
Base-Backbone interact. energy: -2.984
local terms energy: -426.664920
where:
bonds (distance) C4'-P energy: -99.333
bonds (distance) P-C4' energy: -89.974
flat angles C4'-P-C4' energy: -102.803
flat angles P-C4'-P energy: -65.809
tors. eta vs tors. theta energy: -68.746
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: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -520.285922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.285922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.285922 (E_RNA)
where:
Base-Base interactions energy: -171.450
where: short stacking energy: -148.135
Base-Backbone interact. energy: 2.495
local terms energy: -351.331291
where:
bonds (distance) C4'-P energy: -88.510
bonds (distance) P-C4' energy: -100.825
flat angles C4'-P-C4' energy: -94.021
flat angles P-C4'-P energy: -51.656
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -446.110327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.110327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.110327 (E_RNA)
where:
Base-Base interactions energy: -177.326
where: short stacking energy: -141.669
Base-Backbone interact. energy: 5.226
local terms energy: -274.010494
where:
bonds (distance) C4'-P energy: -86.613
bonds (distance) P-C4' energy: -81.988
flat angles C4'-P-C4' energy: -84.883
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: 16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2010.127987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.127987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.127987 (E_RNA)
where:
Base-Base interactions energy: -1373.473
where: short stacking energy: -591.255
Base-Backbone interact. energy: -2.828
local terms energy: -633.826924
where:
bonds (distance) C4'-P energy: -118.766
bonds (distance) P-C4' energy: -126.524
flat angles C4'-P-C4' energy: -128.303
flat angles P-C4'-P energy: -89.553
tors. eta vs tors. theta energy: -170.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1915.600025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.600025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.600025 (E_RNA)
where:
Base-Base interactions energy: -1304.772
where: short stacking energy: -540.011
Base-Backbone interact. energy: -1.929
local terms energy: -608.898635
where:
bonds (distance) C4'-P energy: -110.610
bonds (distance) P-C4' energy: -124.125
flat angles C4'-P-C4' energy: -132.697
flat angles P-C4'-P energy: -95.631
tors. eta vs tors. theta energy: -145.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1838.867304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.867304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.867304 (E_RNA)
where:
Base-Base interactions energy: -1254.136
where: short stacking energy: -523.042
Base-Backbone interact. energy: 1.203
local terms energy: -585.934248
where:
bonds (distance) C4'-P energy: -113.141
bonds (distance) P-C4' energy: -119.075
flat angles C4'-P-C4' energy: -120.948
flat angles P-C4'-P energy: -78.162
tors. eta vs tors. theta energy: -154.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1743.722722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.722722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.722722 (E_RNA)
where:
Base-Base interactions energy: -1180.499
where: short stacking energy: -517.454
Base-Backbone interact. energy: -3.605
local terms energy: -559.619484
where:
bonds (distance) C4'-P energy: -116.089
bonds (distance) P-C4' energy: -101.237
flat angles C4'-P-C4' energy: -119.684
flat angles P-C4'-P energy: -71.881
tors. eta vs tors. theta energy: -150.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1573.199746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.199746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.199746 (E_RNA)
where:
Base-Base interactions energy: -1056.328
where: short stacking energy: -448.717
Base-Backbone interact. energy: -1.295
local terms energy: -515.576588
where:
bonds (distance) C4'-P energy: -111.768
bonds (distance) P-C4' energy: -108.086
flat angles C4'-P-C4' energy: -109.146
flat angles P-C4'-P energy: -78.098
tors. eta vs tors. theta energy: -108.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1490.465119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.465119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.465119 (E_RNA)
where:
Base-Base interactions energy: -980.172
where: short stacking energy: -444.803
Base-Backbone interact. energy: -2.204
local terms energy: -508.088649
where:
bonds (distance) C4'-P energy: -88.206
bonds (distance) P-C4' energy: -116.700
flat angles C4'-P-C4' energy: -104.182
flat angles P-C4'-P energy: -81.401
tors. eta vs tors. theta energy: -117.600
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: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1240.108320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.108320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.108320 (E_RNA)
where:
Base-Base interactions energy: -765.227
where: short stacking energy: -344.579
Base-Backbone interact. energy: -0.054
local terms energy: -474.827372
where:
bonds (distance) C4'-P energy: -107.661
bonds (distance) P-C4' energy: -100.133
flat angles C4'-P-C4' energy: -101.339
flat angles P-C4'-P energy: -77.330
tors. eta vs tors. theta energy: -88.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1042.402185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.402185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.402185 (E_RNA)
where:
Base-Base interactions energy: -628.687
where: short stacking energy: -275.559
Base-Backbone interact. energy: 0.029
local terms energy: -413.744927
where:
bonds (distance) C4'-P energy: -113.460
bonds (distance) P-C4' energy: -87.574
flat angles C4'-P-C4' energy: -98.298
flat angles P-C4'-P energy: -61.990
tors. eta vs tors. theta energy: -52.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -494.777369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.777369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.777369 (E_RNA)
where:
Base-Base interactions energy: -193.050
where: short stacking energy: -138.423
Base-Backbone interact. energy: 0.410
local terms energy: -302.137382
where:
bonds (distance) C4'-P energy: -95.334
bonds (distance) P-C4' energy: -97.639
flat angles C4'-P-C4' energy: -86.719
flat angles P-C4'-P energy: -35.539
tors. eta vs tors. theta energy: 13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -443.608398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.608398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.608398 (E_RNA)
where:
Base-Base interactions energy: -155.774
where: short stacking energy: -109.602
Base-Backbone interact. energy: 3.344
local terms energy: -291.178168
where:
bonds (distance) C4'-P energy: -97.898
bonds (distance) P-C4' energy: -97.222
flat angles C4'-P-C4' energy: -71.419
flat angles P-C4'-P energy: -39.080
tors. eta vs tors. theta energy: 14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2015.620285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.620285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.620285 (E_RNA)
where:
Base-Base interactions energy: -1399.539
where: short stacking energy: -585.348
Base-Backbone interact. energy: -1.863
local terms energy: -614.219072
where:
bonds (distance) C4'-P energy: -108.139
bonds (distance) P-C4' energy: -114.146
flat angles C4'-P-C4' energy: -126.270
flat angles P-C4'-P energy: -90.971
tors. eta vs tors. theta energy: -174.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1910.172988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.172988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.172988 (E_RNA)
where:
Base-Base interactions energy: -1317.071
where: short stacking energy: -539.764
Base-Backbone interact. energy: -6.396
local terms energy: -586.706129
where:
bonds (distance) C4'-P energy: -97.894
bonds (distance) P-C4' energy: -117.503
flat angles C4'-P-C4' energy: -131.127
flat angles P-C4'-P energy: -96.366
tors. eta vs tors. theta energy: -143.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1900.316999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.316999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.316999 (E_RNA)
where:
Base-Base interactions energy: -1306.418
where: short stacking energy: -549.440
Base-Backbone interact. energy: -0.949
local terms energy: -592.950397
where:
bonds (distance) C4'-P energy: -110.911
bonds (distance) P-C4' energy: -117.451
flat angles C4'-P-C4' energy: -115.189
flat angles P-C4'-P energy: -85.102
tors. eta vs tors. theta energy: -164.299
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: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1800.141097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.141097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.141097 (E_RNA)
where:
Base-Base interactions energy: -1238.766
where: short stacking energy: -510.637
Base-Backbone interact. energy: 0.438
local terms energy: -561.812806
where:
bonds (distance) C4'-P energy: -105.414
bonds (distance) P-C4' energy: -105.078
flat angles C4'-P-C4' energy: -121.738
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -155.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1539.093169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.093169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.093169 (E_RNA)
where:
Base-Base interactions energy: -1027.675
where: short stacking energy: -428.521
Base-Backbone interact. energy: -1.360
local terms energy: -510.058556
where:
bonds (distance) C4'-P energy: -101.038
bonds (distance) P-C4' energy: -110.380
flat angles C4'-P-C4' energy: -111.232
flat angles P-C4'-P energy: -71.031
tors. eta vs tors. theta energy: -116.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1456.444692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.444692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.444692 (E_RNA)
where:
Base-Base interactions energy: -949.206
where: short stacking energy: -416.740
Base-Backbone interact. energy: -2.226
local terms energy: -505.012394
where:
bonds (distance) C4'-P energy: -101.697
bonds (distance) P-C4' energy: -107.829
flat angles C4'-P-C4' energy: -117.321
flat angles P-C4'-P energy: -61.616
tors. eta vs tors. theta energy: -116.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1153.843710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.843710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.843710 (E_RNA)
where:
Base-Base interactions energy: -723.450
where: short stacking energy: -342.142
Base-Backbone interact. energy: 2.545
local terms energy: -432.938328
where:
bonds (distance) C4'-P energy: -91.883
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -103.058
flat angles P-C4'-P energy: -62.831
tors. eta vs tors. theta energy: -81.391
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: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1025.653692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.653692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.653692 (E_RNA)
where:
Base-Base interactions energy: -607.248
where: short stacking energy: -291.585
Base-Backbone interact. energy: -3.022
local terms energy: -415.383281
where:
bonds (distance) C4'-P energy: -115.272
bonds (distance) P-C4' energy: -87.406
flat angles C4'-P-C4' energy: -106.457
flat angles P-C4'-P energy: -56.718
tors. eta vs tors. theta energy: -49.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -483.633203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.633203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.633203 (E_RNA)
where:
Base-Base interactions energy: -161.017
where: short stacking energy: -140.604
Base-Backbone interact. energy: -1.593
local terms energy: -321.023553
where:
bonds (distance) C4'-P energy: -94.087
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -70.329
flat angles P-C4'-P energy: -69.438
tors. eta vs tors. theta energy: 24.973
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: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -457.446548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.446548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.446548 (E_RNA)
where:
Base-Base interactions energy: -188.665
where: short stacking energy: -135.134
Base-Backbone interact. energy: 3.158
local terms energy: -271.939573
where:
bonds (distance) C4'-P energy: -96.402
bonds (distance) P-C4' energy: -87.424
flat angles C4'-P-C4' energy: -73.005
flat angles P-C4'-P energy: -39.311
tors. eta vs tors. theta energy: 24.202
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: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2021.824859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.824859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.824859 (E_RNA)
where:
Base-Base interactions energy: -1398.216
where: short stacking energy: -567.518
Base-Backbone interact. energy: -2.277
local terms energy: -621.331610
where:
bonds (distance) C4'-P energy: -104.152
bonds (distance) P-C4' energy: -120.148
flat angles C4'-P-C4' energy: -133.533
flat angles P-C4'-P energy: -86.405
tors. eta vs tors. theta energy: -177.093
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: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1922.009725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.009725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.009725 (E_RNA)
where:
Base-Base interactions energy: -1352.335
where: short stacking energy: -537.951
Base-Backbone interact. energy: -0.635
local terms energy: -569.039814
where:
bonds (distance) C4'-P energy: -106.446
bonds (distance) P-C4' energy: -121.130
flat angles C4'-P-C4' energy: -119.872
flat angles P-C4'-P energy: -75.177
tors. eta vs tors. theta energy: -146.415
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: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1862.292609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.292609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.292609 (E_RNA)
where:
Base-Base interactions energy: -1292.834
where: short stacking energy: -566.226
Base-Backbone interact. energy: -2.979
local terms energy: -566.479536
where:
bonds (distance) C4'-P energy: -91.629
bonds (distance) P-C4' energy: -109.186
flat angles C4'-P-C4' energy: -132.138
flat angles P-C4'-P energy: -72.642
tors. eta vs tors. theta energy: -160.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1784.145691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.145691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.145691 (E_RNA)
where:
Base-Base interactions energy: -1194.385
where: short stacking energy: -494.055
Base-Backbone interact. energy: -1.912
local terms energy: -587.848334
where:
bonds (distance) C4'-P energy: -104.142
bonds (distance) P-C4' energy: -120.973
flat angles C4'-P-C4' energy: -115.216
flat angles P-C4'-P energy: -84.712
tors. eta vs tors. theta energy: -162.805
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: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1543.676431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.676431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.676431 (E_RNA)
where:
Base-Base interactions energy: -1027.363
where: short stacking energy: -434.176
Base-Backbone interact. energy: -0.310
local terms energy: -516.003404
where:
bonds (distance) C4'-P energy: -96.841
bonds (distance) P-C4' energy: -118.402
flat angles C4'-P-C4' energy: -116.567
flat angles P-C4'-P energy: -66.833
tors. eta vs tors. theta energy: -117.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1420.684412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.684412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.684412 (E_RNA)
where:
Base-Base interactions energy: -940.396
where: short stacking energy: -429.061
Base-Backbone interact. energy: -1.498
local terms energy: -478.790437
where:
bonds (distance) C4'-P energy: -99.074
bonds (distance) P-C4' energy: -96.185
flat angles C4'-P-C4' energy: -105.627
flat angles P-C4'-P energy: -69.277
tors. eta vs tors. theta energy: -108.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1193.905692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.905692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.905692 (E_RNA)
where:
Base-Base interactions energy: -758.782
where: short stacking energy: -301.564
Base-Backbone interact. energy: -0.401
local terms energy: -434.722601
where:
bonds (distance) C4'-P energy: -93.237
bonds (distance) P-C4' energy: -115.782
flat angles C4'-P-C4' energy: -110.793
flat angles P-C4'-P energy: -65.532
tors. eta vs tors. theta energy: -49.379
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: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -932.842172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.842172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.842172 (E_RNA)
where:
Base-Base interactions energy: -537.426
where: short stacking energy: -259.857
Base-Backbone interact. energy: -1.713
local terms energy: -393.702760
where:
bonds (distance) C4'-P energy: -95.418
bonds (distance) P-C4' energy: -87.614
flat angles C4'-P-C4' energy: -99.877
flat angles P-C4'-P energy: -66.137
tors. eta vs tors. theta energy: -44.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -499.066191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.066191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.066191 (E_RNA)
where:
Base-Base interactions energy: -154.106
where: short stacking energy: -146.256
Base-Backbone interact. energy: -0.577
local terms energy: -344.383303
where:
bonds (distance) C4'-P energy: -113.228
bonds (distance) P-C4' energy: -94.249
flat angles C4'-P-C4' energy: -98.547
flat angles P-C4'-P energy: -43.212
tors. eta vs tors. theta energy: 4.853
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: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -505.519335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.519335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.519335 (E_RNA)
where:
Base-Base interactions energy: -196.398
where: short stacking energy: -140.735
Base-Backbone interact. energy: -1.756
local terms energy: -307.364742
where:
bonds (distance) C4'-P energy: -84.268
bonds (distance) P-C4' energy: -99.768
flat angles C4'-P-C4' energy: -89.650
flat angles P-C4'-P energy: -43.782
tors. eta vs tors. theta energy: 10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2013.431329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.431329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.431329 (E_RNA)
where:
Base-Base interactions energy: -1375.987
where: short stacking energy: -565.576
Base-Backbone interact. energy: -5.732
local terms energy: -631.712609
where:
bonds (distance) C4'-P energy: -116.937
bonds (distance) P-C4' energy: -121.501
flat angles C4'-P-C4' energy: -138.530
flat angles P-C4'-P energy: -90.394
tors. eta vs tors. theta energy: -164.351
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: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1919.922374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.922374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.922374 (E_RNA)
where:
Base-Base interactions energy: -1345.322
where: short stacking energy: -532.951
Base-Backbone interact. energy: -4.083
local terms energy: -570.517490
where:
bonds (distance) C4'-P energy: -103.053
bonds (distance) P-C4' energy: -122.965
flat angles C4'-P-C4' energy: -126.199
flat angles P-C4'-P energy: -82.016
tors. eta vs tors. theta energy: -136.285
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: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1876.903641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.903641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.903641 (E_RNA)
where:
Base-Base interactions energy: -1280.493
where: short stacking energy: -550.432
Base-Backbone interact. energy: -3.546
local terms energy: -592.865066
where:
bonds (distance) C4'-P energy: -125.159
bonds (distance) P-C4' energy: -116.845
flat angles C4'-P-C4' energy: -129.794
flat angles P-C4'-P energy: -67.542
tors. eta vs tors. theta energy: -153.524
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: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1766.193235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.193235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.193235 (E_RNA)
where:
Base-Base interactions energy: -1211.128
where: short stacking energy: -506.858
Base-Backbone interact. energy: 2.304
local terms energy: -557.369869
where:
bonds (distance) C4'-P energy: -103.357
bonds (distance) P-C4' energy: -106.283
flat angles C4'-P-C4' energy: -118.939
flat angles P-C4'-P energy: -72.107
tors. eta vs tors. theta energy: -156.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1552.053357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.053357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.053357 (E_RNA)
where:
Base-Base interactions energy: -1057.250
where: short stacking energy: -435.365
Base-Backbone interact. energy: 0.412
local terms energy: -495.215802
where:
bonds (distance) C4'-P energy: -111.845
bonds (distance) P-C4' energy: -101.055
flat angles C4'-P-C4' energy: -112.057
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -111.779
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: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1442.597399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.597399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.597399 (E_RNA)
where:
Base-Base interactions energy: -960.617
where: short stacking energy: -442.578
Base-Backbone interact. energy: -1.997
local terms energy: -479.983538
where:
bonds (distance) C4'-P energy: -66.822
bonds (distance) P-C4' energy: -97.627
flat angles C4'-P-C4' energy: -130.807
flat angles P-C4'-P energy: -76.411
tors. eta vs tors. theta energy: -108.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1330.014031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.014031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.014031 (E_RNA)
where:
Base-Base interactions energy: -843.719
where: short stacking energy: -373.587
Base-Backbone interact. energy: -3.815
local terms energy: -482.480970
where:
bonds (distance) C4'-P energy: -97.406
bonds (distance) P-C4' energy: -99.634
flat angles C4'-P-C4' energy: -121.106
flat angles P-C4'-P energy: -62.620
tors. eta vs tors. theta energy: -101.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -970.677724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.677724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.677724 (E_RNA)
where:
Base-Base interactions energy: -578.141
where: short stacking energy: -282.689
Base-Backbone interact. energy: 1.368
local terms energy: -393.904382
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -95.839
flat angles C4'-P-C4' energy: -97.893
flat angles P-C4'-P energy: -61.155
tors. eta vs tors. theta energy: -56.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -552.461717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.461717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.461717 (E_RNA)
where:
Base-Base interactions energy: -238.924
where: short stacking energy: -144.974
Base-Backbone interact. energy: -0.961
local terms energy: -312.576648
where:
bonds (distance) C4'-P energy: -90.571
bonds (distance) P-C4' energy: -102.136
flat angles C4'-P-C4' energy: -95.599
flat angles P-C4'-P energy: -39.232
tors. eta vs tors. theta energy: 14.961
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: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -450.060862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.060862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.060862 (E_RNA)
where:
Base-Base interactions energy: -156.963
where: short stacking energy: -142.749
Base-Backbone interact. energy: 0.664
local terms energy: -293.761496
where:
bonds (distance) C4'-P energy: -97.112
bonds (distance) P-C4' energy: -92.805
flat angles C4'-P-C4' energy: -72.132
flat angles P-C4'-P energy: -55.237
tors. eta vs tors. theta energy: 23.525
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: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2051.133118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.133118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.133118 (E_RNA)
where:
Base-Base interactions energy: -1415.609
where: short stacking energy: -590.017
Base-Backbone interact. energy: 0.210
local terms energy: -635.734033
where:
bonds (distance) C4'-P energy: -107.642
bonds (distance) P-C4' energy: -123.072
flat angles C4'-P-C4' energy: -137.871
flat angles P-C4'-P energy: -88.147
tors. eta vs tors. theta energy: -179.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1917.155131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.155131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.155131 (E_RNA)
where:
Base-Base interactions energy: -1330.514
where: short stacking energy: -534.946
Base-Backbone interact. energy: -4.328
local terms energy: -582.313233
where:
bonds (distance) C4'-P energy: -116.923
bonds (distance) P-C4' energy: -127.236
flat angles C4'-P-C4' energy: -123.169
flat angles P-C4'-P energy: -80.080
tors. eta vs tors. theta energy: -134.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1835.085331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.085331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.085331 (E_RNA)
where:
Base-Base interactions energy: -1226.702
where: short stacking energy: -519.757
Base-Backbone interact. energy: -1.655
local terms energy: -606.728628
where:
bonds (distance) C4'-P energy: -108.922
bonds (distance) P-C4' energy: -116.384
flat angles C4'-P-C4' energy: -140.441
flat angles P-C4'-P energy: -81.958
tors. eta vs tors. theta energy: -159.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1789.695677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.695677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.695677 (E_RNA)
where:
Base-Base interactions energy: -1210.693
where: short stacking energy: -528.141
Base-Backbone interact. energy: -1.364
local terms energy: -577.639016
where:
bonds (distance) C4'-P energy: -96.550
bonds (distance) P-C4' energy: -110.792
flat angles C4'-P-C4' energy: -131.272
flat angles P-C4'-P energy: -78.041
tors. eta vs tors. theta energy: -160.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1572.895683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.895683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.895683 (E_RNA)
where:
Base-Base interactions energy: -1045.354
where: short stacking energy: -426.352
Base-Backbone interact. energy: -1.556
local terms energy: -525.986303
where:
bonds (distance) C4'-P energy: -104.970
bonds (distance) P-C4' energy: -118.164
flat angles C4'-P-C4' energy: -107.535
flat angles P-C4'-P energy: -69.900
tors. eta vs tors. theta energy: -125.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1458.087266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.087266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.087266 (E_RNA)
where:
Base-Base interactions energy: -964.996
where: short stacking energy: -425.829
Base-Backbone interact. energy: 1.428
local terms energy: -494.519258
where:
bonds (distance) C4'-P energy: -96.753
bonds (distance) P-C4' energy: -93.819
flat angles C4'-P-C4' energy: -122.969
flat angles P-C4'-P energy: -71.902
tors. eta vs tors. theta energy: -109.076
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: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1270.214338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.214338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.214338 (E_RNA)
where:
Base-Base interactions energy: -846.669
where: short stacking energy: -363.684
Base-Backbone interact. energy: -1.163
local terms energy: -422.382395
where:
bonds (distance) C4'-P energy: -80.407
bonds (distance) P-C4' energy: -98.271
flat angles C4'-P-C4' energy: -92.568
flat angles P-C4'-P energy: -68.985
tors. eta vs tors. theta energy: -82.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -953.091033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.091033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.091033 (E_RNA)
where:
Base-Base interactions energy: -570.113
where: short stacking energy: -291.250
Base-Backbone interact. energy: 0.862
local terms energy: -383.839167
where:
bonds (distance) C4'-P energy: -99.523
bonds (distance) P-C4' energy: -97.974
flat angles C4'-P-C4' energy: -84.558
flat angles P-C4'-P energy: -61.484
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -543.905627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.905627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.905627 (E_RNA)
where:
Base-Base interactions energy: -228.603
where: short stacking energy: -128.419
Base-Backbone interact. energy: 9.566
local terms energy: -324.868497
where:
bonds (distance) C4'-P energy: -95.831
bonds (distance) P-C4' energy: -102.736
flat angles C4'-P-C4' energy: -71.158
flat angles P-C4'-P energy: -70.228
tors. eta vs tors. theta energy: 15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -456.339248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.339248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.339248 (E_RNA)
where:
Base-Base interactions energy: -156.897
where: short stacking energy: -132.644
Base-Backbone interact. energy: 6.485
local terms energy: -305.927463
where:
bonds (distance) C4'-P energy: -90.388
bonds (distance) P-C4' energy: -108.220
flat angles C4'-P-C4' energy: -77.903
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: 15.163
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: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1980.403040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.403040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.403040 (E_RNA)
where:
Base-Base interactions energy: -1374.102
where: short stacking energy: -554.256
Base-Backbone interact. energy: -3.577
local terms energy: -602.724206
where:
bonds (distance) C4'-P energy: -117.716
bonds (distance) P-C4' energy: -110.764
flat angles C4'-P-C4' energy: -139.954
flat angles P-C4'-P energy: -85.366
tors. eta vs tors. theta energy: -148.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1991.567714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.567714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.567714 (E_RNA)
where:
Base-Base interactions energy: -1373.235
where: short stacking energy: -581.726
Base-Backbone interact. energy: -3.388
local terms energy: -614.944990
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -125.488
flat angles C4'-P-C4' energy: -123.519
flat angles P-C4'-P energy: -98.506
tors. eta vs tors. theta energy: -161.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1874.669307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.669307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.669307 (E_RNA)
where:
Base-Base interactions energy: -1293.502
where: short stacking energy: -550.813
Base-Backbone interact. energy: -2.969
local terms energy: -578.198317
where:
bonds (distance) C4'-P energy: -105.370
bonds (distance) P-C4' energy: -107.331
flat angles C4'-P-C4' energy: -124.980
flat angles P-C4'-P energy: -82.034
tors. eta vs tors. theta energy: -158.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1777.012309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.012309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.012309 (E_RNA)
where:
Base-Base interactions energy: -1198.300
where: short stacking energy: -523.992
Base-Backbone interact. energy: -1.631
local terms energy: -577.081439
where:
bonds (distance) C4'-P energy: -102.440
bonds (distance) P-C4' energy: -118.675
flat angles C4'-P-C4' energy: -120.528
flat angles P-C4'-P energy: -81.130
tors. eta vs tors. theta energy: -154.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1584.004788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.004788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.004788 (E_RNA)
where:
Base-Base interactions energy: -1039.430
where: short stacking energy: -459.245
Base-Backbone interact. energy: -4.571
local terms energy: -540.004156
where:
bonds (distance) C4'-P energy: -101.834
bonds (distance) P-C4' energy: -111.720
flat angles C4'-P-C4' energy: -118.234
flat angles P-C4'-P energy: -85.317
tors. eta vs tors. theta energy: -122.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1447.121137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.121137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.121137 (E_RNA)
where:
Base-Base interactions energy: -934.556
where: short stacking energy: -409.353
Base-Backbone interact. energy: 0.237
local terms energy: -512.802121
where:
bonds (distance) C4'-P energy: -108.798
bonds (distance) P-C4' energy: -125.016
flat angles C4'-P-C4' energy: -111.480
flat angles P-C4'-P energy: -62.383
tors. eta vs tors. theta energy: -105.125
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: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1271.802781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.802781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.802781 (E_RNA)
where:
Base-Base interactions energy: -812.676
where: short stacking energy: -358.257
Base-Backbone interact. energy: -1.497
local terms energy: -457.629715
where:
bonds (distance) C4'-P energy: -89.251
bonds (distance) P-C4' energy: -105.317
flat angles C4'-P-C4' energy: -114.981
flat angles P-C4'-P energy: -56.999
tors. eta vs tors. theta energy: -91.082
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: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -929.130655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.130655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.130655 (E_RNA)
where:
Base-Base interactions energy: -532.557
where: short stacking energy: -271.803
Base-Backbone interact. energy: -1.187
local terms energy: -395.386284
where:
bonds (distance) C4'-P energy: -78.101
bonds (distance) P-C4' energy: -110.529
flat angles C4'-P-C4' energy: -110.836
flat angles P-C4'-P energy: -56.405
tors. eta vs tors. theta energy: -39.514
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: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -496.063849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.063849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.063849 (E_RNA)
where:
Base-Base interactions energy: -221.846
where: short stacking energy: -158.931
Base-Backbone interact. energy: -0.405
local terms energy: -273.812482
where:
bonds (distance) C4'-P energy: -82.499
bonds (distance) P-C4' energy: -110.842
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -35.922
tors. eta vs tors. theta energy: 20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -462.157729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.157729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.157729 (E_RNA)
where:
Base-Base interactions energy: -171.577
where: short stacking energy: -133.212
Base-Backbone interact. energy: 2.832
local terms energy: -293.412888
where:
bonds (distance) C4'-P energy: -95.302
bonds (distance) P-C4' energy: -78.128
flat angles C4'-P-C4' energy: -80.514
flat angles P-C4'-P energy: -55.351
tors. eta vs tors. theta energy: 15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1959.232206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.232206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.232206 (E_RNA)
where:
Base-Base interactions energy: -1368.643
where: short stacking energy: -560.622
Base-Backbone interact. energy: -0.908
local terms energy: -589.681802
where:
bonds (distance) C4'-P energy: -111.897
bonds (distance) P-C4' energy: -128.605
flat angles C4'-P-C4' energy: -129.501
flat angles P-C4'-P energy: -77.714
tors. eta vs tors. theta energy: -141.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1974.611897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.611897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.611897 (E_RNA)
where:
Base-Base interactions energy: -1353.563
where: short stacking energy: -541.030
Base-Backbone interact. energy: 4.294
local terms energy: -625.343801
where:
bonds (distance) C4'-P energy: -109.701
bonds (distance) P-C4' energy: -124.933
flat angles C4'-P-C4' energy: -135.473
flat angles P-C4'-P energy: -92.762
tors. eta vs tors. theta energy: -162.474
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: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1826.158178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.158178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.158178 (E_RNA)
where:
Base-Base interactions energy: -1230.376
where: short stacking energy: -543.214
Base-Backbone interact. energy: -4.568
local terms energy: -591.214174
where:
bonds (distance) C4'-P energy: -113.636
bonds (distance) P-C4' energy: -109.692
flat angles C4'-P-C4' energy: -129.889
flat angles P-C4'-P energy: -69.578
tors. eta vs tors. theta energy: -168.419
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: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1732.133053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.133053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.133053 (E_RNA)
where:
Base-Base interactions energy: -1175.071
where: short stacking energy: -493.791
Base-Backbone interact. energy: -4.906
local terms energy: -552.156779
where:
bonds (distance) C4'-P energy: -97.621
bonds (distance) P-C4' energy: -102.450
flat angles C4'-P-C4' energy: -131.613
flat angles P-C4'-P energy: -75.440
tors. eta vs tors. theta energy: -145.033
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: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1569.327502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.327502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.327502 (E_RNA)
where:
Base-Base interactions energy: -1048.908
where: short stacking energy: -449.183
Base-Backbone interact. energy: -0.516
local terms energy: -519.903443
where:
bonds (distance) C4'-P energy: -106.778
bonds (distance) P-C4' energy: -96.534
flat angles C4'-P-C4' energy: -126.870
flat angles P-C4'-P energy: -78.939
tors. eta vs tors. theta energy: -110.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1481.623789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.623789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.623789 (E_RNA)
where:
Base-Base interactions energy: -994.451
where: short stacking energy: -436.918
Base-Backbone interact. energy: 1.177
local terms energy: -488.349430
where:
bonds (distance) C4'-P energy: -97.432
bonds (distance) P-C4' energy: -116.253
flat angles C4'-P-C4' energy: -105.552
flat angles P-C4'-P energy: -59.858
tors. eta vs tors. theta energy: -109.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1281.779607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.779607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.779607 (E_RNA)
where:
Base-Base interactions energy: -841.976
where: short stacking energy: -365.709
Base-Backbone interact. energy: 6.103
local terms energy: -445.906567
where:
bonds (distance) C4'-P energy: -95.076
bonds (distance) P-C4' energy: -84.325
flat angles C4'-P-C4' energy: -110.902
flat angles P-C4'-P energy: -79.540
tors. eta vs tors. theta energy: -76.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -911.245300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.245300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.245300 (E_RNA)
where:
Base-Base interactions energy: -507.854
where: short stacking energy: -242.069
Base-Backbone interact. energy: 0.202
local terms energy: -403.593241
where:
bonds (distance) C4'-P energy: -96.689
bonds (distance) P-C4' energy: -110.864
flat angles C4'-P-C4' energy: -105.092
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: -34.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -504.153414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.153414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.153414 (E_RNA)
where:
Base-Base interactions energy: -156.356
where: short stacking energy: -136.300
Base-Backbone interact. energy: -3.596
local terms energy: -344.201199
where:
bonds (distance) C4'-P energy: -111.738
bonds (distance) P-C4' energy: -112.975
flat angles C4'-P-C4' energy: -79.051
flat angles P-C4'-P energy: -55.491
tors. eta vs tors. theta energy: 15.054
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: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -468.788886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.788886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.788886 (E_RNA)
where:
Base-Base interactions energy: -193.023
where: short stacking energy: -137.960
Base-Backbone interact. energy: -0.565
local terms energy: -275.200830
where:
bonds (distance) C4'-P energy: -88.487
bonds (distance) P-C4' energy: -86.903
flat angles C4'-P-C4' energy: -71.477
flat angles P-C4'-P energy: -39.129
tors. eta vs tors. theta energy: 10.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1969.018730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.018730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.018730 (E_RNA)
where:
Base-Base interactions energy: -1357.623
where: short stacking energy: -559.863
Base-Backbone interact. energy: -0.665
local terms energy: -610.730798
where:
bonds (distance) C4'-P energy: -119.016
bonds (distance) P-C4' energy: -126.815
flat angles C4'-P-C4' energy: -131.553
flat angles P-C4'-P energy: -90.219
tors. eta vs tors. theta energy: -143.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1929.136240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.136240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.136240 (E_RNA)
where:
Base-Base interactions energy: -1326.419
where: short stacking energy: -533.854
Base-Backbone interact. energy: -3.259
local terms energy: -599.457499
where:
bonds (distance) C4'-P energy: -105.601
bonds (distance) P-C4' energy: -120.322
flat angles C4'-P-C4' energy: -123.720
flat angles P-C4'-P energy: -95.897
tors. eta vs tors. theta energy: -153.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1874.003294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.003294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.003294 (E_RNA)
where:
Base-Base interactions energy: -1257.608
where: short stacking energy: -539.478
Base-Backbone interact. energy: -1.064
local terms energy: -615.331305
where:
bonds (distance) C4'-P energy: -130.703
bonds (distance) P-C4' energy: -109.743
flat angles C4'-P-C4' energy: -134.969
flat angles P-C4'-P energy: -77.279
tors. eta vs tors. theta energy: -162.636
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: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1757.628502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.628502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.628502 (E_RNA)
where:
Base-Base interactions energy: -1180.323
where: short stacking energy: -508.997
Base-Backbone interact. energy: -2.044
local terms energy: -575.261653
where:
bonds (distance) C4'-P energy: -111.130
bonds (distance) P-C4' energy: -120.129
flat angles C4'-P-C4' energy: -119.968
flat angles P-C4'-P energy: -75.436
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: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1517.733267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.733267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.733267 (E_RNA)
where:
Base-Base interactions energy: -1023.436
where: short stacking energy: -424.258
Base-Backbone interact. energy: -4.756
local terms energy: -489.541721
where:
bonds (distance) C4'-P energy: -98.902
bonds (distance) P-C4' energy: -114.294
flat angles C4'-P-C4' energy: -117.134
flat angles P-C4'-P energy: -57.834
tors. eta vs tors. theta energy: -101.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1485.450401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.450401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.450401 (E_RNA)
where:
Base-Base interactions energy: -947.945
where: short stacking energy: -417.027
Base-Backbone interact. energy: -3.345
local terms energy: -534.160748
where:
bonds (distance) C4'-P energy: -109.620
bonds (distance) P-C4' energy: -113.180
flat angles C4'-P-C4' energy: -122.478
flat angles P-C4'-P energy: -69.828
tors. eta vs tors. theta energy: -119.055
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: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1258.944735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.944735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.944735 (E_RNA)
where:
Base-Base interactions energy: -804.247
where: short stacking energy: -378.171
Base-Backbone interact. energy: -1.178
local terms energy: -453.520407
where:
bonds (distance) C4'-P energy: -104.492
bonds (distance) P-C4' energy: -103.096
flat angles C4'-P-C4' energy: -101.226
flat angles P-C4'-P energy: -58.895
tors. eta vs tors. theta energy: -85.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -911.506494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.506494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.506494 (E_RNA)
where:
Base-Base interactions energy: -537.123
where: short stacking energy: -252.427
Base-Backbone interact. energy: -0.286
local terms energy: -374.098002
where:
bonds (distance) C4'-P energy: -91.284
bonds (distance) P-C4' energy: -83.177
flat angles C4'-P-C4' energy: -107.936
flat angles P-C4'-P energy: -55.632
tors. eta vs tors. theta energy: -36.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -515.567687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.567687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.567687 (E_RNA)
where:
Base-Base interactions energy: -198.800
where: short stacking energy: -150.359
Base-Backbone interact. energy: -2.080
local terms energy: -314.687834
where:
bonds (distance) C4'-P energy: -98.644
bonds (distance) P-C4' energy: -90.740
flat angles C4'-P-C4' energy: -73.098
flat angles P-C4'-P energy: -56.219
tors. eta vs tors. theta energy: 4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -435.280373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.280373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.280373 (E_RNA)
where:
Base-Base interactions energy: -149.504
where: short stacking energy: -111.333
Base-Backbone interact. energy: 2.128
local terms energy: -287.904198
where:
bonds (distance) C4'-P energy: -105.936
bonds (distance) P-C4' energy: -101.487
flat angles C4'-P-C4' energy: -68.639
flat angles P-C4'-P energy: -48.334
tors. eta vs tors. theta energy: 36.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1967.554182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.554182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.554182 (E_RNA)
where:
Base-Base interactions energy: -1359.147
where: short stacking energy: -566.193
Base-Backbone interact. energy: 1.073
local terms energy: -609.480921
where:
bonds (distance) C4'-P energy: -127.258
bonds (distance) P-C4' energy: -112.673
flat angles C4'-P-C4' energy: -138.287
flat angles P-C4'-P energy: -81.479
tors. eta vs tors. theta energy: -149.784
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: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1970.280004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.280004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.280004 (E_RNA)
where:
Base-Base interactions energy: -1351.404
where: short stacking energy: -551.668
Base-Backbone interact. energy: -1.966
local terms energy: -616.909974
where:
bonds (distance) C4'-P energy: -110.249
bonds (distance) P-C4' energy: -126.888
flat angles C4'-P-C4' energy: -131.425
flat angles P-C4'-P energy: -87.488
tors. eta vs tors. theta energy: -160.860
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: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1886.322786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.322786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.322786 (E_RNA)
where:
Base-Base interactions energy: -1294.679
where: short stacking energy: -539.676
Base-Backbone interact. energy: -3.888
local terms energy: -587.755049
where:
bonds (distance) C4'-P energy: -125.681
bonds (distance) P-C4' energy: -116.222
flat angles C4'-P-C4' energy: -120.533
flat angles P-C4'-P energy: -64.656
tors. eta vs tors. theta energy: -160.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1756.614257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.614257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.614257 (E_RNA)
where:
Base-Base interactions energy: -1181.150
where: short stacking energy: -519.070
Base-Backbone interact. energy: 5.026
local terms energy: -580.490614
where:
bonds (distance) C4'-P energy: -98.765
bonds (distance) P-C4' energy: -108.208
flat angles C4'-P-C4' energy: -122.516
flat angles P-C4'-P energy: -90.335
tors. eta vs tors. theta energy: -160.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1555.490790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.490790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.490790 (E_RNA)
where:
Base-Base interactions energy: -1000.397
where: short stacking energy: -424.356
Base-Backbone interact. energy: -1.820
local terms energy: -553.273814
where:
bonds (distance) C4'-P energy: -112.024
bonds (distance) P-C4' energy: -110.220
flat angles C4'-P-C4' energy: -126.056
flat angles P-C4'-P energy: -91.040
tors. eta vs tors. theta energy: -113.934
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: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1539.995917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.995917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.995917 (E_RNA)
where:
Base-Base interactions energy: -1021.165
where: short stacking energy: -437.351
Base-Backbone interact. energy: -2.612
local terms energy: -516.218430
where:
bonds (distance) C4'-P energy: -107.053
bonds (distance) P-C4' energy: -100.692
flat angles C4'-P-C4' energy: -116.118
flat angles P-C4'-P energy: -66.704
tors. eta vs tors. theta energy: -125.652
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: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1309.610480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.610480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.610480 (E_RNA)
where:
Base-Base interactions energy: -821.442
where: short stacking energy: -380.693
Base-Backbone interact. energy: 2.319
local terms energy: -490.487216
where:
bonds (distance) C4'-P energy: -102.539
bonds (distance) P-C4' energy: -106.373
flat angles C4'-P-C4' energy: -122.082
flat angles P-C4'-P energy: -68.398
tors. eta vs tors. theta energy: -91.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -960.084799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.084799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.084799 (E_RNA)
where:
Base-Base interactions energy: -532.729
where: short stacking energy: -271.192
Base-Backbone interact. energy: 0.566
local terms energy: -427.921399
where:
bonds (distance) C4'-P energy: -113.400
bonds (distance) P-C4' energy: -102.533
flat angles C4'-P-C4' energy: -104.875
flat angles P-C4'-P energy: -63.440
tors. eta vs tors. theta energy: -43.674
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: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -468.182986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.182986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.182986 (E_RNA)
where:
Base-Base interactions energy: -175.114
where: short stacking energy: -145.711
Base-Backbone interact. energy: -2.857
local terms energy: -290.212308
where:
bonds (distance) C4'-P energy: -93.676
bonds (distance) P-C4' energy: -107.552
flat angles C4'-P-C4' energy: -81.721
flat angles P-C4'-P energy: -32.240
tors. eta vs tors. theta energy: 24.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -446.305901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.305901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.305901 (E_RNA)
where:
Base-Base interactions energy: -137.339
where: short stacking energy: -96.910
Base-Backbone interact. energy: -0.381
local terms energy: -308.586005
where:
bonds (distance) C4'-P energy: -87.261
bonds (distance) P-C4' energy: -108.633
flat angles C4'-P-C4' energy: -103.955
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: 17.156
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: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2028.493019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.493019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.493019 (E_RNA)
where:
Base-Base interactions energy: -1386.155
where: short stacking energy: -586.093
Base-Backbone interact. energy: -2.707
local terms energy: -639.630720
where:
bonds (distance) C4'-P energy: -118.053
bonds (distance) P-C4' energy: -121.418
flat angles C4'-P-C4' energy: -131.692
flat angles P-C4'-P energy: -105.052
tors. eta vs tors. theta energy: -163.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1922.503298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.503298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.503298 (E_RNA)
where:
Base-Base interactions energy: -1350.748
where: short stacking energy: -547.311
Base-Backbone interact. energy: 0.345
local terms energy: -572.099957
where:
bonds (distance) C4'-P energy: -109.574
bonds (distance) P-C4' energy: -112.251
flat angles C4'-P-C4' energy: -120.097
flat angles P-C4'-P energy: -88.407
tors. eta vs tors. theta energy: -141.772
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: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1880.522441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.522441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.522441 (E_RNA)
where:
Base-Base interactions energy: -1306.523
where: short stacking energy: -540.393
Base-Backbone interact. energy: -1.836
local terms energy: -572.162637
where:
bonds (distance) C4'-P energy: -116.815
bonds (distance) P-C4' energy: -90.695
flat angles C4'-P-C4' energy: -119.723
flat angles P-C4'-P energy: -85.880
tors. eta vs tors. theta energy: -159.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1771.580836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.580836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.580836 (E_RNA)
where:
Base-Base interactions energy: -1203.263
where: short stacking energy: -503.662
Base-Backbone interact. energy: -2.240
local terms energy: -566.077265
where:
bonds (distance) C4'-P energy: -122.116
bonds (distance) P-C4' energy: -118.697
flat angles C4'-P-C4' energy: -109.686
flat angles P-C4'-P energy: -79.226
tors. eta vs tors. theta energy: -136.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1598.292438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.292438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.292438 (E_RNA)
where:
Base-Base interactions energy: -1062.297
where: short stacking energy: -463.201
Base-Backbone interact. energy: -1.790
local terms energy: -534.205632
where:
bonds (distance) C4'-P energy: -106.642
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -115.973
flat angles P-C4'-P energy: -79.969
tors. eta vs tors. theta energy: -129.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1557.454083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.454083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.454083 (E_RNA)
where:
Base-Base interactions energy: -1030.553
where: short stacking energy: -447.126
Base-Backbone interact. energy: -2.336
local terms energy: -524.565315
where:
bonds (distance) C4'-P energy: -94.646
bonds (distance) P-C4' energy: -104.518
flat angles C4'-P-C4' energy: -118.115
flat angles P-C4'-P energy: -79.328
tors. eta vs tors. theta energy: -127.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1270.515724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.515724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.515724 (E_RNA)
where:
Base-Base interactions energy: -811.002
where: short stacking energy: -349.994
Base-Backbone interact. energy: -0.535
local terms energy: -458.978484
where:
bonds (distance) C4'-P energy: -110.161
bonds (distance) P-C4' energy: -84.862
flat angles C4'-P-C4' energy: -126.222
flat angles P-C4'-P energy: -70.134
tors. eta vs tors. theta energy: -67.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -969.824832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.824832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.824832 (E_RNA)
where:
Base-Base interactions energy: -581.745
where: short stacking energy: -289.333
Base-Backbone interact. energy: 0.503
local terms energy: -388.582737
where:
bonds (distance) C4'-P energy: -91.428
bonds (distance) P-C4' energy: -92.343
flat angles C4'-P-C4' energy: -98.997
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -61.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -476.760078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.760078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.760078 (E_RNA)
where:
Base-Base interactions energy: -153.018
where: short stacking energy: -141.195
Base-Backbone interact. energy: -0.370
local terms energy: -323.372092
where:
bonds (distance) C4'-P energy: -81.980
bonds (distance) P-C4' energy: -115.172
flat angles C4'-P-C4' energy: -94.296
flat angles P-C4'-P energy: -47.983
tors. eta vs tors. theta energy: 16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -455.112600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.112600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.112600 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -123.038
Base-Backbone interact. energy: -1.943
local terms energy: -306.224662
where:
bonds (distance) C4'-P energy: -108.766
bonds (distance) P-C4' energy: -112.538
flat angles C4'-P-C4' energy: -71.724
flat angles P-C4'-P energy: -35.096
tors. eta vs tors. theta energy: 21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2015.243810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.243810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.243810 (E_RNA)
where:
Base-Base interactions energy: -1391.678
where: short stacking energy: -595.434
Base-Backbone interact. energy: -2.691
local terms energy: -620.874785
where:
bonds (distance) C4'-P energy: -116.918
bonds (distance) P-C4' energy: -108.590
flat angles C4'-P-C4' energy: -131.595
flat angles P-C4'-P energy: -98.244
tors. eta vs tors. theta energy: -165.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1922.440122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.440122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.440122 (E_RNA)
where:
Base-Base interactions energy: -1343.261
where: short stacking energy: -540.818
Base-Backbone interact. energy: -2.379
local terms energy: -576.800040
where:
bonds (distance) C4'-P energy: -113.917
bonds (distance) P-C4' energy: -110.271
flat angles C4'-P-C4' energy: -129.104
flat angles P-C4'-P energy: -75.703
tors. eta vs tors. theta energy: -147.805
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: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1861.734694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.734694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.734694 (E_RNA)
where:
Base-Base interactions energy: -1271.261
where: short stacking energy: -532.904
Base-Backbone interact. energy: -2.380
local terms energy: -588.094028
where:
bonds (distance) C4'-P energy: -102.394
bonds (distance) P-C4' energy: -125.092
flat angles C4'-P-C4' energy: -126.876
flat angles P-C4'-P energy: -77.317
tors. eta vs tors. theta energy: -156.416
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: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1761.482480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.482480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.482480 (E_RNA)
where:
Base-Base interactions energy: -1201.277
where: short stacking energy: -520.014
Base-Backbone interact. energy: -0.216
local terms energy: -559.989966
where:
bonds (distance) C4'-P energy: -108.238
bonds (distance) P-C4' energy: -119.928
flat angles C4'-P-C4' energy: -114.135
flat angles P-C4'-P energy: -76.560
tors. eta vs tors. theta energy: -141.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1576.254098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.254098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.254098 (E_RNA)
where:
Base-Base interactions energy: -1041.662
where: short stacking energy: -423.645
Base-Backbone interact. energy: -0.706
local terms energy: -533.885949
where:
bonds (distance) C4'-P energy: -112.248
bonds (distance) P-C4' energy: -97.108
flat angles C4'-P-C4' energy: -135.183
flat angles P-C4'-P energy: -72.975
tors. eta vs tors. theta energy: -116.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1592.780275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.780275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.780275 (E_RNA)
where:
Base-Base interactions energy: -1053.007
where: short stacking energy: -468.648
Base-Backbone interact. energy: 1.233
local terms energy: -541.006137
where:
bonds (distance) C4'-P energy: -107.277
bonds (distance) P-C4' energy: -92.673
flat angles C4'-P-C4' energy: -118.661
flat angles P-C4'-P energy: -76.481
tors. eta vs tors. theta energy: -145.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1266.908060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.908060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.908060 (E_RNA)
where:
Base-Base interactions energy: -784.531
where: short stacking energy: -372.701
Base-Backbone interact. energy: -1.027
local terms energy: -481.350834
where:
bonds (distance) C4'-P energy: -101.464
bonds (distance) P-C4' energy: -97.670
flat angles C4'-P-C4' energy: -110.457
flat angles P-C4'-P energy: -79.508
tors. eta vs tors. theta energy: -92.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -951.648222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.648222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.648222 (E_RNA)
where:
Base-Base interactions energy: -550.833
where: short stacking energy: -296.228
Base-Backbone interact. energy: -0.946
local terms energy: -399.869209
where:
bonds (distance) C4'-P energy: -88.971
bonds (distance) P-C4' energy: -99.772
flat angles C4'-P-C4' energy: -98.284
flat angles P-C4'-P energy: -63.774
tors. eta vs tors. theta energy: -49.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -551.297698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.297698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.297698 (E_RNA)
where:
Base-Base interactions energy: -236.377
where: short stacking energy: -170.897
Base-Backbone interact. energy: -0.676
local terms energy: -314.244516
where:
bonds (distance) C4'-P energy: -96.104
bonds (distance) P-C4' energy: -104.571
flat angles C4'-P-C4' energy: -73.504
flat angles P-C4'-P energy: -46.898
tors. eta vs tors. theta energy: 6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -452.079609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.079609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.079609 (E_RNA)
where:
Base-Base interactions energy: -169.976
where: short stacking energy: -145.655
Base-Backbone interact. energy: 3.648
local terms energy: -285.752211
where:
bonds (distance) C4'-P energy: -93.237
bonds (distance) P-C4' energy: -96.859
flat angles C4'-P-C4' energy: -80.454
flat angles P-C4'-P energy: -28.164
tors. eta vs tors. theta energy: 12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2027.381553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.381553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.381553 (E_RNA)
where:
Base-Base interactions energy: -1385.500
where: short stacking energy: -579.166
Base-Backbone interact. energy: 1.636
local terms energy: -643.517216
where:
bonds (distance) C4'-P energy: -121.614
bonds (distance) P-C4' energy: -119.981
flat angles C4'-P-C4' energy: -136.823
flat angles P-C4'-P energy: -97.383
tors. eta vs tors. theta energy: -167.716
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: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1908.221914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.221914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.221914 (E_RNA)
where:
Base-Base interactions energy: -1323.635
where: short stacking energy: -538.317
Base-Backbone interact. energy: -1.375
local terms energy: -583.211403
where:
bonds (distance) C4'-P energy: -112.343
bonds (distance) P-C4' energy: -112.415
flat angles C4'-P-C4' energy: -135.884
flat angles P-C4'-P energy: -76.071
tors. eta vs tors. theta energy: -146.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1868.184168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.184168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.184168 (E_RNA)
where:
Base-Base interactions energy: -1269.893
where: short stacking energy: -540.304
Base-Backbone interact. energy: -1.933
local terms energy: -596.358192
where:
bonds (distance) C4'-P energy: -121.633
bonds (distance) P-C4' energy: -103.200
flat angles C4'-P-C4' energy: -136.011
flat angles P-C4'-P energy: -74.800
tors. eta vs tors. theta energy: -160.715
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: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1776.883916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.883916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.883916 (E_RNA)
where:
Base-Base interactions energy: -1212.619
where: short stacking energy: -490.935
Base-Backbone interact. energy: -1.619
local terms energy: -562.646236
where:
bonds (distance) C4'-P energy: -100.744
bonds (distance) P-C4' energy: -111.812
flat angles C4'-P-C4' energy: -120.843
flat angles P-C4'-P energy: -84.028
tors. eta vs tors. theta energy: -145.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1565.904527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.904527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.904527 (E_RNA)
where:
Base-Base interactions energy: -1060.875
where: short stacking energy: -452.380
Base-Backbone interact. energy: -0.986
local terms energy: -504.043898
where:
bonds (distance) C4'-P energy: -83.130
bonds (distance) P-C4' energy: -124.922
flat angles C4'-P-C4' energy: -108.652
flat angles P-C4'-P energy: -69.555
tors. eta vs tors. theta energy: -117.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1464.886776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.886776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.886776 (E_RNA)
where:
Base-Base interactions energy: -962.856
where: short stacking energy: -395.316
Base-Backbone interact. energy: -1.219
local terms energy: -500.810894
where:
bonds (distance) C4'-P energy: -111.773
bonds (distance) P-C4' energy: -100.740
flat angles C4'-P-C4' energy: -99.612
flat angles P-C4'-P energy: -84.601
tors. eta vs tors. theta energy: -104.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1255.727524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.727524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.727524 (E_RNA)
where:
Base-Base interactions energy: -809.010
where: short stacking energy: -384.818
Base-Backbone interact. energy: 5.084
local terms energy: -451.802003
where:
bonds (distance) C4'-P energy: -113.461
bonds (distance) P-C4' energy: -91.249
flat angles C4'-P-C4' energy: -109.315
flat angles P-C4'-P energy: -61.405
tors. eta vs tors. theta energy: -76.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -952.698485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.698485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.698485 (E_RNA)
where:
Base-Base interactions energy: -545.350
where: short stacking energy: -286.854
Base-Backbone interact. energy: 4.824
local terms energy: -412.172734
where:
bonds (distance) C4'-P energy: -84.762
bonds (distance) P-C4' energy: -106.758
flat angles C4'-P-C4' energy: -106.707
flat angles P-C4'-P energy: -71.390
tors. eta vs tors. theta energy: -42.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -523.579895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.579895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.579895 (E_RNA)
where:
Base-Base interactions energy: -192.362
where: short stacking energy: -135.790
Base-Backbone interact. energy: 1.965
local terms energy: -333.182663
where:
bonds (distance) C4'-P energy: -107.093
bonds (distance) P-C4' energy: -111.216
flat angles C4'-P-C4' energy: -77.551
flat angles P-C4'-P energy: -46.072
tors. eta vs tors. theta energy: 8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -444.509076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.509076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.509076 (E_RNA)
where:
Base-Base interactions energy: -201.703
where: short stacking energy: -174.724
Base-Backbone interact. energy: 3.783
local terms energy: -246.589263
where:
bonds (distance) C4'-P energy: -80.521
bonds (distance) P-C4' energy: -105.285
flat angles C4'-P-C4' energy: -39.375
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: 11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2037.499331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.499331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.499331 (E_RNA)
where:
Base-Base interactions energy: -1411.770
where: short stacking energy: -570.740
Base-Backbone interact. energy: -3.350
local terms energy: -622.378978
where:
bonds (distance) C4'-P energy: -118.783
bonds (distance) P-C4' energy: -119.196
flat angles C4'-P-C4' energy: -128.516
flat angles P-C4'-P energy: -91.460
tors. eta vs tors. theta energy: -164.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1940.275168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.275168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.275168 (E_RNA)
where:
Base-Base interactions energy: -1339.212
where: short stacking energy: -574.533
Base-Backbone interact. energy: -2.524
local terms energy: -598.539403
where:
bonds (distance) C4'-P energy: -112.074
bonds (distance) P-C4' energy: -108.145
flat angles C4'-P-C4' energy: -125.744
flat angles P-C4'-P energy: -78.860
tors. eta vs tors. theta energy: -173.716
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: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1901.649235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.649235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.649235 (E_RNA)
where:
Base-Base interactions energy: -1309.938
where: short stacking energy: -531.710
Base-Backbone interact. energy: -3.498
local terms energy: -588.213396
where:
bonds (distance) C4'-P energy: -114.675
bonds (distance) P-C4' energy: -111.549
flat angles C4'-P-C4' energy: -128.908
flat angles P-C4'-P energy: -81.140
tors. eta vs tors. theta energy: -151.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1775.333022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.333022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.333022 (E_RNA)
where:
Base-Base interactions energy: -1209.481
where: short stacking energy: -540.475
Base-Backbone interact. energy: -1.965
local terms energy: -563.887057
where:
bonds (distance) C4'-P energy: -126.620
bonds (distance) P-C4' energy: -86.444
flat angles C4'-P-C4' energy: -123.262
flat angles P-C4'-P energy: -69.495
tors. eta vs tors. theta energy: -158.065
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: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1584.940294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.940294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.940294 (E_RNA)
where:
Base-Base interactions energy: -1024.440
where: short stacking energy: -451.389
Base-Backbone interact. energy: -0.933
local terms energy: -559.566836
where:
bonds (distance) C4'-P energy: -101.781
bonds (distance) P-C4' energy: -117.946
flat angles C4'-P-C4' energy: -121.734
flat angles P-C4'-P energy: -79.848
tors. eta vs tors. theta energy: -138.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1375.064784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.064784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.064784 (E_RNA)
where:
Base-Base interactions energy: -890.821
where: short stacking energy: -386.366
Base-Backbone interact. energy: -1.761
local terms energy: -482.482932
where:
bonds (distance) C4'-P energy: -99.566
bonds (distance) P-C4' energy: -107.954
flat angles C4'-P-C4' energy: -103.564
flat angles P-C4'-P energy: -77.467
tors. eta vs tors. theta energy: -93.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1304.438380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.438380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.438380 (E_RNA)
where:
Base-Base interactions energy: -847.397
where: short stacking energy: -386.792
Base-Backbone interact. energy: -2.503
local terms energy: -454.538531
where:
bonds (distance) C4'-P energy: -95.097
bonds (distance) P-C4' energy: -95.670
flat angles C4'-P-C4' energy: -92.723
flat angles P-C4'-P energy: -71.967
tors. eta vs tors. theta energy: -99.083
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: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -927.796093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.796093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.796093 (E_RNA)
where:
Base-Base interactions energy: -503.122
where: short stacking energy: -238.388
Base-Backbone interact. energy: -0.547
local terms energy: -424.126414
where:
bonds (distance) C4'-P energy: -105.134
bonds (distance) P-C4' energy: -107.456
flat angles C4'-P-C4' energy: -102.479
flat angles P-C4'-P energy: -68.648
tors. eta vs tors. theta energy: -40.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -579.060089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.060089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.060089 (E_RNA)
where:
Base-Base interactions energy: -265.538
where: short stacking energy: -162.065
Base-Backbone interact. energy: 4.625
local terms energy: -318.147299
where:
bonds (distance) C4'-P energy: -107.483
bonds (distance) P-C4' energy: -93.558
flat angles C4'-P-C4' energy: -72.519
flat angles P-C4'-P energy: -55.608
tors. eta vs tors. theta energy: 11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -445.404942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.404942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.404942 (E_RNA)
where:
Base-Base interactions energy: -154.961
where: short stacking energy: -145.905
Base-Backbone interact. energy: 5.750
local terms energy: -296.193702
where:
bonds (distance) C4'-P energy: -91.895
bonds (distance) P-C4' energy: -113.092
flat angles C4'-P-C4' energy: -63.778
flat angles P-C4'-P energy: -33.563
tors. eta vs tors. theta energy: 6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2009.666197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.666197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.666197 (E_RNA)
where:
Base-Base interactions energy: -1394.519
where: short stacking energy: -584.610
Base-Backbone interact. energy: -1.718
local terms energy: -613.429696
where:
bonds (distance) C4'-P energy: -104.030
bonds (distance) P-C4' energy: -112.240
flat angles C4'-P-C4' energy: -138.220
flat angles P-C4'-P energy: -77.549
tors. eta vs tors. theta energy: -181.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1956.795721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.795721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.795721 (E_RNA)
where:
Base-Base interactions energy: -1326.754
where: short stacking energy: -574.563
Base-Backbone interact. energy: -0.346
local terms energy: -629.695503
where:
bonds (distance) C4'-P energy: -115.708
bonds (distance) P-C4' energy: -117.960
flat angles C4'-P-C4' energy: -140.518
flat angles P-C4'-P energy: -84.490
tors. eta vs tors. theta energy: -171.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1862.674051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.674051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.674051 (E_RNA)
where:
Base-Base interactions energy: -1326.346
where: short stacking energy: -524.937
Base-Backbone interact. energy: -3.141
local terms energy: -533.187049
where:
bonds (distance) C4'-P energy: -112.048
bonds (distance) P-C4' energy: -94.729
flat angles C4'-P-C4' energy: -116.431
flat angles P-C4'-P energy: -72.194
tors. eta vs tors. theta energy: -137.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1702.240934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.240934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.240934 (E_RNA)
where:
Base-Base interactions energy: -1177.192
where: short stacking energy: -504.279
Base-Backbone interact. energy: 0.244
local terms energy: -525.293090
where:
bonds (distance) C4'-P energy: -102.723
bonds (distance) P-C4' energy: -98.331
flat angles C4'-P-C4' energy: -117.058
flat angles P-C4'-P energy: -61.344
tors. eta vs tors. theta energy: -145.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1597.378048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.378048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.378048 (E_RNA)
where:
Base-Base interactions energy: -1057.938
where: short stacking energy: -459.218
Base-Backbone interact. energy: -0.274
local terms energy: -539.166381
where:
bonds (distance) C4'-P energy: -97.653
bonds (distance) P-C4' energy: -123.139
flat angles C4'-P-C4' energy: -110.814
flat angles P-C4'-P energy: -76.382
tors. eta vs tors. theta energy: -131.178
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: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1377.271750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.271750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.271750 (E_RNA)
where:
Base-Base interactions energy: -894.695
where: short stacking energy: -400.112
Base-Backbone interact. energy: -0.627
local terms energy: -481.949934
where:
bonds (distance) C4'-P energy: -89.839
bonds (distance) P-C4' energy: -102.945
flat angles C4'-P-C4' energy: -114.363
flat angles P-C4'-P energy: -71.381
tors. eta vs tors. theta energy: -103.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1280.547894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.547894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.547894 (E_RNA)
where:
Base-Base interactions energy: -823.697
where: short stacking energy: -342.208
Base-Backbone interact. energy: -1.415
local terms energy: -455.435460
where:
bonds (distance) C4'-P energy: -99.366
bonds (distance) P-C4' energy: -116.401
flat angles C4'-P-C4' energy: -104.570
flat angles P-C4'-P energy: -52.814
tors. eta vs tors. theta energy: -82.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -878.830697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.830697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.830697 (E_RNA)
where:
Base-Base interactions energy: -507.376
where: short stacking energy: -260.263
Base-Backbone interact. energy: 2.113
local terms energy: -373.568162
where:
bonds (distance) C4'-P energy: -101.660
bonds (distance) P-C4' energy: -105.267
flat angles C4'-P-C4' energy: -79.472
flat angles P-C4'-P energy: -56.990
tors. eta vs tors. theta energy: -30.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -472.222869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.222869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.222869 (E_RNA)
where:
Base-Base interactions energy: -144.751
where: short stacking energy: -127.325
Base-Backbone interact. energy: 1.960
local terms energy: -329.432400
where:
bonds (distance) C4'-P energy: -97.778
bonds (distance) P-C4' energy: -116.589
flat angles C4'-P-C4' energy: -85.167
flat angles P-C4'-P energy: -49.661
tors. eta vs tors. theta energy: 19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -587.525248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.525248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.525248 (E_RNA)
where:
Base-Base interactions energy: -232.422
where: short stacking energy: -146.620
Base-Backbone interact. energy: 1.179
local terms energy: -356.281867
where:
bonds (distance) C4'-P energy: -98.707
bonds (distance) P-C4' energy: -107.407
flat angles C4'-P-C4' energy: -83.895
flat angles P-C4'-P energy: -62.760
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2011.746894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.746894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.746894 (E_RNA)
where:
Base-Base interactions energy: -1389.558
where: short stacking energy: -572.618
Base-Backbone interact. energy: -0.629
local terms energy: -621.559717
where:
bonds (distance) C4'-P energy: -118.230
bonds (distance) P-C4' energy: -124.503
flat angles C4'-P-C4' energy: -132.527
flat angles P-C4'-P energy: -88.777
tors. eta vs tors. theta energy: -157.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1939.686398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.686398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.686398 (E_RNA)
where:
Base-Base interactions energy: -1318.764
where: short stacking energy: -561.900
Base-Backbone interact. energy: -2.839
local terms energy: -618.083665
where:
bonds (distance) C4'-P energy: -119.207
bonds (distance) P-C4' energy: -111.538
flat angles C4'-P-C4' energy: -128.013
flat angles P-C4'-P energy: -90.323
tors. eta vs tors. theta energy: -169.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1860.635107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.635107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.635107 (E_RNA)
where:
Base-Base interactions energy: -1270.166
where: short stacking energy: -526.421
Base-Backbone interact. energy: -3.721
local terms energy: -586.748292
where:
bonds (distance) C4'-P energy: -116.367
bonds (distance) P-C4' energy: -126.155
flat angles C4'-P-C4' energy: -127.732
flat angles P-C4'-P energy: -68.653
tors. eta vs tors. theta energy: -147.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1708.122952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.122952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.122952 (E_RNA)
where:
Base-Base interactions energy: -1172.941
where: short stacking energy: -498.778
Base-Backbone interact. energy: -0.753
local terms energy: -534.428409
where:
bonds (distance) C4'-P energy: -99.577
bonds (distance) P-C4' energy: -112.603
flat angles C4'-P-C4' energy: -114.011
flat angles P-C4'-P energy: -71.674
tors. eta vs tors. theta energy: -136.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1592.632467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.632467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.632467 (E_RNA)
where:
Base-Base interactions energy: -1072.754
where: short stacking energy: -474.647
Base-Backbone interact. energy: -0.778
local terms energy: -519.100388
where:
bonds (distance) C4'-P energy: -87.903
bonds (distance) P-C4' energy: -108.441
flat angles C4'-P-C4' energy: -116.063
flat angles P-C4'-P energy: -68.833
tors. eta vs tors. theta energy: -137.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1379.932792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.932792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.932792 (E_RNA)
where:
Base-Base interactions energy: -932.907
where: short stacking energy: -374.410
Base-Backbone interact. energy: 0.064
local terms energy: -447.089434
where:
bonds (distance) C4'-P energy: -99.004
bonds (distance) P-C4' energy: -87.689
flat angles C4'-P-C4' energy: -107.980
flat angles P-C4'-P energy: -71.471
tors. eta vs tors. theta energy: -80.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1270.798341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.798341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.798341 (E_RNA)
where:
Base-Base interactions energy: -835.091
where: short stacking energy: -355.703
Base-Backbone interact. energy: -1.053
local terms energy: -434.653837
where:
bonds (distance) C4'-P energy: -103.681
bonds (distance) P-C4' energy: -98.111
flat angles C4'-P-C4' energy: -90.402
flat angles P-C4'-P energy: -70.401
tors. eta vs tors. theta energy: -72.059
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: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -869.362803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.362803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.362803 (E_RNA)
where:
Base-Base interactions energy: -480.649
where: short stacking energy: -222.371
Base-Backbone interact. energy: -2.578
local terms energy: -386.135914
where:
bonds (distance) C4'-P energy: -92.449
bonds (distance) P-C4' energy: -104.927
flat angles C4'-P-C4' energy: -90.486
flat angles P-C4'-P energy: -60.178
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -501.175881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.175881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.175881 (E_RNA)
where:
Base-Base interactions energy: -190.887
where: short stacking energy: -128.734
Base-Backbone interact. energy: 0.301
local terms energy: -310.589304
where:
bonds (distance) C4'-P energy: -96.150
bonds (distance) P-C4' energy: -109.549
flat angles C4'-P-C4' energy: -84.644
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: 18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -554.848987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.848987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.848987 (E_RNA)
where:
Base-Base interactions energy: -244.704
where: short stacking energy: -158.546
Base-Backbone interact. energy: 2.465
local terms energy: -312.610285
where:
bonds (distance) C4'-P energy: -97.433
bonds (distance) P-C4' energy: -78.803
flat angles C4'-P-C4' energy: -81.951
flat angles P-C4'-P energy: -63.622
tors. eta vs tors. theta energy: 9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1978.152571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.152571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.152571 (E_RNA)
where:
Base-Base interactions energy: -1324.298
where: short stacking energy: -588.151
Base-Backbone interact. energy: -1.555
local terms energy: -652.299814
where:
bonds (distance) C4'-P energy: -120.978
bonds (distance) P-C4' energy: -121.334
flat angles C4'-P-C4' energy: -140.590
flat angles P-C4'-P energy: -90.839
tors. eta vs tors. theta energy: -178.558
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: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1951.564724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.564724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.564724 (E_RNA)
where:
Base-Base interactions energy: -1342.741
where: short stacking energy: -560.707
Base-Backbone interact. energy: -2.913
local terms energy: -605.910368
where:
bonds (distance) C4'-P energy: -114.313
bonds (distance) P-C4' energy: -112.052
flat angles C4'-P-C4' energy: -141.312
flat angles P-C4'-P energy: -74.614
tors. eta vs tors. theta energy: -163.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1907.607955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.607955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.607955 (E_RNA)
where:
Base-Base interactions energy: -1327.762
where: short stacking energy: -545.395
Base-Backbone interact. energy: -5.144
local terms energy: -574.702046
where:
bonds (distance) C4'-P energy: -107.371
bonds (distance) P-C4' energy: -102.472
flat angles C4'-P-C4' energy: -134.051
flat angles P-C4'-P energy: -75.091
tors. eta vs tors. theta energy: -155.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1700.700151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.700151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.700151 (E_RNA)
where:
Base-Base interactions energy: -1149.240
where: short stacking energy: -475.626
Base-Backbone interact. energy: -2.084
local terms energy: -549.376065
where:
bonds (distance) C4'-P energy: -107.207
bonds (distance) P-C4' energy: -115.434
flat angles C4'-P-C4' energy: -116.126
flat angles P-C4'-P energy: -77.650
tors. eta vs tors. theta energy: -132.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1559.987727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.987727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.987727 (E_RNA)
where:
Base-Base interactions energy: -1030.173
where: short stacking energy: -432.284
Base-Backbone interact. energy: -1.255
local terms energy: -528.559655
where:
bonds (distance) C4'-P energy: -93.027
bonds (distance) P-C4' energy: -117.855
flat angles C4'-P-C4' energy: -124.481
flat angles P-C4'-P energy: -70.801
tors. eta vs tors. theta energy: -122.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1392.379014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.379014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.379014 (E_RNA)
where:
Base-Base interactions energy: -932.800
where: short stacking energy: -410.719
Base-Backbone interact. energy: -1.687
local terms energy: -457.891474
where:
bonds (distance) C4'-P energy: -88.990
bonds (distance) P-C4' energy: -92.338
flat angles C4'-P-C4' energy: -110.092
flat angles P-C4'-P energy: -72.871
tors. eta vs tors. theta energy: -93.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1319.323249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.323249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.323249 (E_RNA)
where:
Base-Base interactions energy: -873.106
where: short stacking energy: -370.636
Base-Backbone interact. energy: -3.101
local terms energy: -443.116305
where:
bonds (distance) C4'-P energy: -91.330
bonds (distance) P-C4' energy: -105.062
flat angles C4'-P-C4' energy: -101.258
flat angles P-C4'-P energy: -53.527
tors. eta vs tors. theta energy: -91.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -850.560530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.560530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.560530 (E_RNA)
where:
Base-Base interactions energy: -470.054
where: short stacking energy: -239.815
Base-Backbone interact. energy: -3.188
local terms energy: -377.319033
where:
bonds (distance) C4'-P energy: -94.889
bonds (distance) P-C4' energy: -100.816
flat angles C4'-P-C4' energy: -98.679
flat angles P-C4'-P energy: -53.659
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -491.442173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.442173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.442173 (E_RNA)
where:
Base-Base interactions energy: -162.046
where: short stacking energy: -134.063
Base-Backbone interact. energy: 5.807
local terms energy: -335.202758
where:
bonds (distance) C4'-P energy: -99.057
bonds (distance) P-C4' energy: -109.267
flat angles C4'-P-C4' energy: -74.851
flat angles P-C4'-P energy: -52.609
tors. eta vs tors. theta energy: 0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -516.592321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.592321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.592321 (E_RNA)
where:
Base-Base interactions energy: -193.005
where: short stacking energy: -137.746
Base-Backbone interact. energy: -0.660
local terms energy: -322.927371
where:
bonds (distance) C4'-P energy: -105.873
bonds (distance) P-C4' energy: -100.579
flat angles C4'-P-C4' energy: -93.143
flat angles P-C4'-P energy: -38.277
tors. eta vs tors. theta energy: 14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2019.782901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.782901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.782901 (E_RNA)
where:
Base-Base interactions energy: -1373.271
where: short stacking energy: -604.448
Base-Backbone interact. energy: -2.613
local terms energy: -643.899718
where:
bonds (distance) C4'-P energy: -105.570
bonds (distance) P-C4' energy: -126.565
flat angles C4'-P-C4' energy: -136.727
flat angles P-C4'-P energy: -87.778
tors. eta vs tors. theta energy: -187.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1919.619779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.619779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.619779 (E_RNA)
where:
Base-Base interactions energy: -1326.312
where: short stacking energy: -561.514
Base-Backbone interact. energy: -3.978
local terms energy: -589.330254
where:
bonds (distance) C4'-P energy: -100.272
bonds (distance) P-C4' energy: -116.548
flat angles C4'-P-C4' energy: -132.272
flat angles P-C4'-P energy: -91.481
tors. eta vs tors. theta energy: -148.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1916.002681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.002681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.002681 (E_RNA)
where:
Base-Base interactions energy: -1309.654
where: short stacking energy: -533.534
Base-Backbone interact. energy: -2.172
local terms energy: -604.176805
where:
bonds (distance) C4'-P energy: -113.069
bonds (distance) P-C4' energy: -130.052
flat angles C4'-P-C4' energy: -121.263
flat angles P-C4'-P energy: -84.911
tors. eta vs tors. theta energy: -154.882
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: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1721.100351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.100351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.100351 (E_RNA)
where:
Base-Base interactions energy: -1183.354
where: short stacking energy: -494.688
Base-Backbone interact. energy: -4.873
local terms energy: -532.873672
where:
bonds (distance) C4'-P energy: -102.386
bonds (distance) P-C4' energy: -108.675
flat angles C4'-P-C4' energy: -114.177
flat angles P-C4'-P energy: -73.080
tors. eta vs tors. theta energy: -134.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1612.561355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.561355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.561355 (E_RNA)
where:
Base-Base interactions energy: -1053.486
where: short stacking energy: -472.036
Base-Backbone interact. energy: -2.383
local terms energy: -556.691933
where:
bonds (distance) C4'-P energy: -105.320
bonds (distance) P-C4' energy: -110.472
flat angles C4'-P-C4' energy: -115.803
flat angles P-C4'-P energy: -79.063
tors. eta vs tors. theta energy: -146.034
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: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1454.101227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.101227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.101227 (E_RNA)
where:
Base-Base interactions energy: -965.197
where: short stacking energy: -419.123
Base-Backbone interact. energy: -1.322
local terms energy: -487.581475
where:
bonds (distance) C4'-P energy: -99.075
bonds (distance) P-C4' energy: -104.909
flat angles C4'-P-C4' energy: -110.248
flat angles P-C4'-P energy: -70.110
tors. eta vs tors. theta energy: -103.240
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: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1332.984880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.984880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.984880 (E_RNA)
where:
Base-Base interactions energy: -831.949
where: short stacking energy: -352.209
Base-Backbone interact. energy: -2.245
local terms energy: -498.791241
where:
bonds (distance) C4'-P energy: -109.507
bonds (distance) P-C4' energy: -116.698
flat angles C4'-P-C4' energy: -101.185
flat angles P-C4'-P energy: -78.034
tors. eta vs tors. theta energy: -93.368
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: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -943.826640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.826640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.826640 (E_RNA)
where:
Base-Base interactions energy: -532.246
where: short stacking energy: -269.813
Base-Backbone interact. energy: -0.316
local terms energy: -411.263919
where:
bonds (distance) C4'-P energy: -100.122
bonds (distance) P-C4' energy: -100.606
flat angles C4'-P-C4' energy: -101.815
flat angles P-C4'-P energy: -57.886
tors. eta vs tors. theta energy: -50.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -545.546056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.546056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.546056 (E_RNA)
where:
Base-Base interactions energy: -230.791
where: short stacking energy: -167.615
Base-Backbone interact. energy: -2.389
local terms energy: -312.366046
where:
bonds (distance) C4'-P energy: -91.616
bonds (distance) P-C4' energy: -104.263
flat angles C4'-P-C4' energy: -76.465
flat angles P-C4'-P energy: -41.062
tors. eta vs tors. theta energy: 1.039
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: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -475.974679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.974679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.974679 (E_RNA)
where:
Base-Base interactions energy: -182.324
where: short stacking energy: -118.549
Base-Backbone interact. energy: -1.790
local terms energy: -291.861158
where:
bonds (distance) C4'-P energy: -81.239
bonds (distance) P-C4' energy: -83.844
flat angles C4'-P-C4' energy: -85.283
flat angles P-C4'-P energy: -55.548
tors. eta vs tors. theta energy: 14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2003.410071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.410071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.410071 (E_RNA)
where:
Base-Base interactions energy: -1372.398
where: short stacking energy: -596.109
Base-Backbone interact. energy: -2.438
local terms energy: -628.574270
where:
bonds (distance) C4'-P energy: -113.778
bonds (distance) P-C4' energy: -121.215
flat angles C4'-P-C4' energy: -132.979
flat angles P-C4'-P energy: -85.865
tors. eta vs tors. theta energy: -174.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1925.912416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.912416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.912416 (E_RNA)
where:
Base-Base interactions energy: -1331.393
where: short stacking energy: -550.503
Base-Backbone interact. energy: 0.747
local terms energy: -595.266505
where:
bonds (distance) C4'-P energy: -113.938
bonds (distance) P-C4' energy: -122.612
flat angles C4'-P-C4' energy: -130.351
flat angles P-C4'-P energy: -87.997
tors. eta vs tors. theta energy: -140.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1915.431987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.431987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.431987 (E_RNA)
where:
Base-Base interactions energy: -1318.031
where: short stacking energy: -561.850
Base-Backbone interact. energy: 0.591
local terms energy: -597.991428
where:
bonds (distance) C4'-P energy: -110.970
bonds (distance) P-C4' energy: -112.932
flat angles C4'-P-C4' energy: -132.216
flat angles P-C4'-P energy: -83.099
tors. eta vs tors. theta energy: -158.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1740.189312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.189312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.189312 (E_RNA)
where:
Base-Base interactions energy: -1156.002
where: short stacking energy: -476.016
Base-Backbone interact. energy: -3.948
local terms energy: -580.239811
where:
bonds (distance) C4'-P energy: -112.549
bonds (distance) P-C4' energy: -118.042
flat angles C4'-P-C4' energy: -128.714
flat angles P-C4'-P energy: -74.415
tors. eta vs tors. theta energy: -146.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1587.719889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.719889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.719889 (E_RNA)
where:
Base-Base interactions energy: -1047.561
where: short stacking energy: -462.912
Base-Backbone interact. energy: -1.675
local terms energy: -538.483676
where:
bonds (distance) C4'-P energy: -107.915
bonds (distance) P-C4' energy: -114.696
flat angles C4'-P-C4' energy: -121.100
flat angles P-C4'-P energy: -65.056
tors. eta vs tors. theta energy: -129.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1453.337171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.337171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.337171 (E_RNA)
where:
Base-Base interactions energy: -968.803
where: short stacking energy: -417.906
Base-Backbone interact. energy: -1.251
local terms energy: -483.283551
where:
bonds (distance) C4'-P energy: -104.392
bonds (distance) P-C4' energy: -101.708
flat angles C4'-P-C4' energy: -104.941
flat angles P-C4'-P energy: -67.507
tors. eta vs tors. theta energy: -104.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1295.839389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.839389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.839389 (E_RNA)
where:
Base-Base interactions energy: -859.830
where: short stacking energy: -368.936
Base-Backbone interact. energy: -2.208
local terms energy: -433.801390
where:
bonds (distance) C4'-P energy: -88.447
bonds (distance) P-C4' energy: -103.392
flat angles C4'-P-C4' energy: -98.381
flat angles P-C4'-P energy: -63.353
tors. eta vs tors. theta energy: -80.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -875.721370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.721370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.721370 (E_RNA)
where:
Base-Base interactions energy: -505.920
where: short stacking energy: -264.037
Base-Backbone interact. energy: -4.044
local terms energy: -365.757676
where:
bonds (distance) C4'-P energy: -94.407
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -89.447
flat angles P-C4'-P energy: -63.483
tors. eta vs tors. theta energy: -30.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -597.510326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.510326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.510326 (E_RNA)
where:
Base-Base interactions energy: -291.341
where: short stacking energy: -198.480
Base-Backbone interact. energy: -0.737
local terms energy: -305.432732
where:
bonds (distance) C4'-P energy: -83.195
bonds (distance) P-C4' energy: -82.415
flat angles C4'-P-C4' energy: -84.094
flat angles P-C4'-P energy: -55.284
tors. eta vs tors. theta energy: -0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -477.013389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.013389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.013389 (E_RNA)
where:
Base-Base interactions energy: -182.456
where: short stacking energy: -131.154
Base-Backbone interact. energy: 0.874
local terms energy: -295.431457
where:
bonds (distance) C4'-P energy: -99.942
bonds (distance) P-C4' energy: -81.504
flat angles C4'-P-C4' energy: -64.993
flat angles P-C4'-P energy: -58.437
tors. eta vs tors. theta energy: 9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2014.657907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.657907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.657907 (E_RNA)
where:
Base-Base interactions energy: -1395.831
where: short stacking energy: -612.732
Base-Backbone interact. energy: -2.931
local terms energy: -615.895883
where:
bonds (distance) C4'-P energy: -100.754
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -138.202
flat angles P-C4'-P energy: -93.754
tors. eta vs tors. theta energy: -179.247
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: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1963.739322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.739322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.739322 (E_RNA)
where:
Base-Base interactions energy: -1371.456
where: short stacking energy: -579.078
Base-Backbone interact. energy: -1.125
local terms energy: -591.158244
where:
bonds (distance) C4'-P energy: -113.989
bonds (distance) P-C4' energy: -119.231
flat angles C4'-P-C4' energy: -124.094
flat angles P-C4'-P energy: -76.883
tors. eta vs tors. theta energy: -156.961
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: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1879.368876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.368876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.368876 (E_RNA)
where:
Base-Base interactions energy: -1306.435
where: short stacking energy: -532.365
Base-Backbone interact. energy: -3.362
local terms energy: -569.571652
where:
bonds (distance) C4'-P energy: -97.880
bonds (distance) P-C4' energy: -115.668
flat angles C4'-P-C4' energy: -131.163
flat angles P-C4'-P energy: -75.656
tors. eta vs tors. theta energy: -149.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1749.059598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.059598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.059598 (E_RNA)
where:
Base-Base interactions energy: -1199.373
where: short stacking energy: -509.600
Base-Backbone interact. energy: -0.923
local terms energy: -548.764059
where:
bonds (distance) C4'-P energy: -107.009
bonds (distance) P-C4' energy: -108.351
flat angles C4'-P-C4' energy: -120.144
flat angles P-C4'-P energy: -61.234
tors. eta vs tors. theta energy: -152.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1559.650505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.650505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.650505 (E_RNA)
where:
Base-Base interactions energy: -1038.235
where: short stacking energy: -451.521
Base-Backbone interact. energy: -1.597
local terms energy: -519.818330
where:
bonds (distance) C4'-P energy: -95.079
bonds (distance) P-C4' energy: -99.351
flat angles C4'-P-C4' energy: -115.484
flat angles P-C4'-P energy: -80.805
tors. eta vs tors. theta energy: -129.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1443.753472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.753472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.753472 (E_RNA)
where:
Base-Base interactions energy: -966.702
where: short stacking energy: -408.151
Base-Backbone interact. energy: 3.039
local terms energy: -480.089964
where:
bonds (distance) C4'-P energy: -108.629
bonds (distance) P-C4' energy: -101.392
flat angles C4'-P-C4' energy: -112.271
flat angles P-C4'-P energy: -66.301
tors. eta vs tors. theta energy: -91.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1289.531891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.531891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.531891 (E_RNA)
where:
Base-Base interactions energy: -833.636
where: short stacking energy: -369.818
Base-Backbone interact. energy: -2.112
local terms energy: -453.783723
where:
bonds (distance) C4'-P energy: -91.183
bonds (distance) P-C4' energy: -89.853
flat angles C4'-P-C4' energy: -112.543
flat angles P-C4'-P energy: -78.571
tors. eta vs tors. theta energy: -81.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -906.254761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.254761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.254761 (E_RNA)
where:
Base-Base interactions energy: -515.335
where: short stacking energy: -242.642
Base-Backbone interact. energy: 4.208
local terms energy: -395.127513
where:
bonds (distance) C4'-P energy: -99.782
bonds (distance) P-C4' energy: -108.481
flat angles C4'-P-C4' energy: -98.241
flat angles P-C4'-P energy: -45.998
tors. eta vs tors. theta energy: -42.626
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: 9, replica: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -596.454494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.454494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.454494 (E_RNA)
where:
Base-Base interactions energy: -241.191
where: short stacking energy: -152.053
Base-Backbone interact. energy: -0.504
local terms energy: -354.759655
where:
bonds (distance) C4'-P energy: -104.363
bonds (distance) P-C4' energy: -100.854
flat angles C4'-P-C4' energy: -85.443
flat angles P-C4'-P energy: -61.761
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -432.531314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.531314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.531314 (E_RNA)
where:
Base-Base interactions energy: -123.917
where: short stacking energy: -105.316
Base-Backbone interact. energy: 17.077
local terms energy: -325.691393
where:
bonds (distance) C4'-P energy: -105.710
bonds (distance) P-C4' energy: -98.495
flat angles C4'-P-C4' energy: -94.425
flat angles P-C4'-P energy: -56.498
tors. eta vs tors. theta energy: 29.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1995.881250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.881250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.881250 (E_RNA)
where:
Base-Base interactions energy: -1333.268
where: short stacking energy: -591.519
Base-Backbone interact. energy: -1.985
local terms energy: -660.628146
where:
bonds (distance) C4'-P energy: -127.134
bonds (distance) P-C4' energy: -119.324
flat angles C4'-P-C4' energy: -139.572
flat angles P-C4'-P energy: -98.436
tors. eta vs tors. theta energy: -176.163
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: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1955.644121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.644121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.644121 (E_RNA)
where:
Base-Base interactions energy: -1362.403
where: short stacking energy: -544.769
Base-Backbone interact. energy: -0.797
local terms energy: -592.444560
where:
bonds (distance) C4'-P energy: -108.651
bonds (distance) P-C4' energy: -97.787
flat angles C4'-P-C4' energy: -134.632
flat angles P-C4'-P energy: -92.893
tors. eta vs tors. theta energy: -158.481
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: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1862.645454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.645454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.645454 (E_RNA)
where:
Base-Base interactions energy: -1275.609
where: short stacking energy: -520.909
Base-Backbone interact. energy: -4.325
local terms energy: -582.711117
where:
bonds (distance) C4'-P energy: -102.525
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -133.003
flat angles P-C4'-P energy: -73.645
tors. eta vs tors. theta energy: -151.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1732.351558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.351558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.351558 (E_RNA)
where:
Base-Base interactions energy: -1166.333
where: short stacking energy: -484.734
Base-Backbone interact. energy: 5.301
local terms energy: -571.320204
where:
bonds (distance) C4'-P energy: -114.223
bonds (distance) P-C4' energy: -105.404
flat angles C4'-P-C4' energy: -127.322
flat angles P-C4'-P energy: -92.683
tors. eta vs tors. theta energy: -131.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1548.872278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.872278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.872278 (E_RNA)
where:
Base-Base interactions energy: -1036.487
where: short stacking energy: -439.830
Base-Backbone interact. energy: 0.684
local terms energy: -513.069552
where:
bonds (distance) C4'-P energy: -117.523
bonds (distance) P-C4' energy: -94.570
flat angles C4'-P-C4' energy: -121.724
flat angles P-C4'-P energy: -64.713
tors. eta vs tors. theta energy: -114.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1455.668728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.668728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.668728 (E_RNA)
where:
Base-Base interactions energy: -965.668
where: short stacking energy: -425.438
Base-Backbone interact. energy: -2.637
local terms energy: -487.363650
where:
bonds (distance) C4'-P energy: -110.590
bonds (distance) P-C4' energy: -96.822
flat angles C4'-P-C4' energy: -104.249
flat angles P-C4'-P energy: -68.263
tors. eta vs tors. theta energy: -107.439
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: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1286.925245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.925245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.925245 (E_RNA)
where:
Base-Base interactions energy: -836.855
where: short stacking energy: -362.825
Base-Backbone interact. energy: 0.802
local terms energy: -450.872381
where:
bonds (distance) C4'-P energy: -92.732
bonds (distance) P-C4' energy: -103.395
flat angles C4'-P-C4' energy: -112.734
flat angles P-C4'-P energy: -62.834
tors. eta vs tors. theta energy: -79.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -942.109723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.109723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.109723 (E_RNA)
where:
Base-Base interactions energy: -569.452
where: short stacking energy: -260.725
Base-Backbone interact. energy: -1.422
local terms energy: -371.235585
where:
bonds (distance) C4'-P energy: -74.985
bonds (distance) P-C4' energy: -100.052
flat angles C4'-P-C4' energy: -102.002
flat angles P-C4'-P energy: -70.998
tors. eta vs tors. theta energy: -23.198
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: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -588.897887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.897887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.897887 (E_RNA)
where:
Base-Base interactions energy: -279.591
where: short stacking energy: -170.054
Base-Backbone interact. energy: -1.525
local terms energy: -307.782647
where:
bonds (distance) C4'-P energy: -87.824
bonds (distance) P-C4' energy: -87.843
flat angles C4'-P-C4' energy: -79.778
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -8.558
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: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -429.590931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.590931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.590931 (E_RNA)
where:
Base-Base interactions energy: -165.324
where: short stacking energy: -142.808
Base-Backbone interact. energy: 3.663
local terms energy: -267.929861
where:
bonds (distance) C4'-P energy: -81.106
bonds (distance) P-C4' energy: -106.125
flat angles C4'-P-C4' energy: -74.613
flat angles P-C4'-P energy: -49.860
tors. eta vs tors. theta energy: 43.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1988.809235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.809235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.809235 (E_RNA)
where:
Base-Base interactions energy: -1333.257
where: short stacking energy: -605.438
Base-Backbone interact. energy: -4.568
local terms energy: -650.983488
where:
bonds (distance) C4'-P energy: -115.101
bonds (distance) P-C4' energy: -116.527
flat angles C4'-P-C4' energy: -137.357
flat angles P-C4'-P energy: -100.355
tors. eta vs tors. theta energy: -181.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1995.223471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.223471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.223471 (E_RNA)
where:
Base-Base interactions energy: -1412.252
where: short stacking energy: -558.293
Base-Backbone interact. energy: -2.574
local terms energy: -580.397457
where:
bonds (distance) C4'-P energy: -102.603
bonds (distance) P-C4' energy: -104.770
flat angles C4'-P-C4' energy: -127.822
flat angles P-C4'-P energy: -87.323
tors. eta vs tors. theta energy: -157.880
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: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1872.922623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.922623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.922623 (E_RNA)
where:
Base-Base interactions energy: -1277.635
where: short stacking energy: -539.670
Base-Backbone interact. energy: -0.378
local terms energy: -594.909477
where:
bonds (distance) C4'-P energy: -104.899
bonds (distance) P-C4' energy: -126.847
flat angles C4'-P-C4' energy: -128.118
flat angles P-C4'-P energy: -92.694
tors. eta vs tors. theta energy: -142.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1720.549954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.549954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.549954 (E_RNA)
where:
Base-Base interactions energy: -1158.278
where: short stacking energy: -510.703
Base-Backbone interact. energy: 4.427
local terms energy: -566.698868
where:
bonds (distance) C4'-P energy: -118.624
bonds (distance) P-C4' energy: -90.853
flat angles C4'-P-C4' energy: -119.513
flat angles P-C4'-P energy: -88.175
tors. eta vs tors. theta energy: -149.535
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: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1566.794036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.794036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.794036 (E_RNA)
where:
Base-Base interactions energy: -1055.064
where: short stacking energy: -446.180
Base-Backbone interact. energy: -2.349
local terms energy: -509.380446
where:
bonds (distance) C4'-P energy: -104.886
bonds (distance) P-C4' energy: -107.593
flat angles C4'-P-C4' energy: -111.106
flat angles P-C4'-P energy: -61.875
tors. eta vs tors. theta energy: -123.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1419.553178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.553178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.553178 (E_RNA)
where:
Base-Base interactions energy: -931.908
where: short stacking energy: -413.230
Base-Backbone interact. energy: -0.686
local terms energy: -486.959684
where:
bonds (distance) C4'-P energy: -98.660
bonds (distance) P-C4' energy: -105.067
flat angles C4'-P-C4' energy: -108.305
flat angles P-C4'-P energy: -74.961
tors. eta vs tors. theta energy: -99.967
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: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1398.590656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.590656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.590656 (E_RNA)
where:
Base-Base interactions energy: -925.947
where: short stacking energy: -419.187
Base-Backbone interact. energy: 7.118
local terms energy: -479.761659
where:
bonds (distance) C4'-P energy: -90.074
bonds (distance) P-C4' energy: -105.322
flat angles C4'-P-C4' energy: -106.719
flat angles P-C4'-P energy: -70.667
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: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -978.448228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.448228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.448228 (E_RNA)
where:
Base-Base interactions energy: -638.239
where: short stacking energy: -289.529
Base-Backbone interact. energy: 3.070
local terms energy: -343.279650
where:
bonds (distance) C4'-P energy: -78.387
bonds (distance) P-C4' energy: -87.991
flat angles C4'-P-C4' energy: -91.592
flat angles P-C4'-P energy: -49.817
tors. eta vs tors. theta energy: -35.492
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: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -589.580949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.580949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.580949 (E_RNA)
where:
Base-Base interactions energy: -227.412
where: short stacking energy: -168.231
Base-Backbone interact. energy: -2.761
local terms energy: -359.408293
where:
bonds (distance) C4'-P energy: -103.570
bonds (distance) P-C4' energy: -98.557
flat angles C4'-P-C4' energy: -94.711
flat angles P-C4'-P energy: -54.599
tors. eta vs tors. theta energy: -7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -435.717899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.717899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.717899 (E_RNA)
where:
Base-Base interactions energy: -147.643
where: short stacking energy: -123.743
Base-Backbone interact. energy: 0.526
local terms energy: -288.601509
where:
bonds (distance) C4'-P energy: -88.498
bonds (distance) P-C4' energy: -95.010
flat angles C4'-P-C4' energy: -84.526
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: 16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2022.925157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.925157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.925157 (E_RNA)
where:
Base-Base interactions energy: -1417.263
where: short stacking energy: -570.820
Base-Backbone interact. energy: -1.669
local terms energy: -603.992302
where:
bonds (distance) C4'-P energy: -115.749
bonds (distance) P-C4' energy: -110.046
flat angles C4'-P-C4' energy: -127.998
flat angles P-C4'-P energy: -94.987
tors. eta vs tors. theta energy: -155.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1952.088933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.088933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.088933 (E_RNA)
where:
Base-Base interactions energy: -1337.222
where: short stacking energy: -600.682
Base-Backbone interact. energy: -3.641
local terms energy: -611.225385
where:
bonds (distance) C4'-P energy: -112.073
bonds (distance) P-C4' energy: -116.507
flat angles C4'-P-C4' energy: -132.266
flat angles P-C4'-P energy: -70.213
tors. eta vs tors. theta energy: -180.167
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: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1836.163100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.163100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.163100 (E_RNA)
where:
Base-Base interactions energy: -1267.607
where: short stacking energy: -531.988
Base-Backbone interact. energy: -2.067
local terms energy: -566.489631
where:
bonds (distance) C4'-P energy: -103.597
bonds (distance) P-C4' energy: -101.319
flat angles C4'-P-C4' energy: -126.945
flat angles P-C4'-P energy: -87.455
tors. eta vs tors. theta energy: -147.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1754.451884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.451884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.451884 (E_RNA)
where:
Base-Base interactions energy: -1160.020
where: short stacking energy: -508.030
Base-Backbone interact. energy: 4.022
local terms energy: -598.453618
where:
bonds (distance) C4'-P energy: -122.716
bonds (distance) P-C4' energy: -111.814
flat angles C4'-P-C4' energy: -126.430
flat angles P-C4'-P energy: -86.026
tors. eta vs tors. theta energy: -151.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1587.758598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.758598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.758598 (E_RNA)
where:
Base-Base interactions energy: -1089.545
where: short stacking energy: -486.529
Base-Backbone interact. energy: -0.098
local terms energy: -498.115255
where:
bonds (distance) C4'-P energy: -100.935
bonds (distance) P-C4' energy: -93.462
flat angles C4'-P-C4' energy: -105.493
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -136.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1481.564854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.564854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.564854 (E_RNA)
where:
Base-Base interactions energy: -990.503
where: short stacking energy: -432.061
Base-Backbone interact. energy: -1.782
local terms energy: -489.279990
where:
bonds (distance) C4'-P energy: -92.010
bonds (distance) P-C4' energy: -107.637
flat angles C4'-P-C4' energy: -114.369
flat angles P-C4'-P energy: -59.006
tors. eta vs tors. theta energy: -116.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1352.088226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.088226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.088226 (E_RNA)
where:
Base-Base interactions energy: -914.957
where: short stacking energy: -398.039
Base-Backbone interact. energy: 1.146
local terms energy: -438.277271
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -117.684
flat angles P-C4'-P energy: -57.031
tors. eta vs tors. theta energy: -85.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1047.500244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.500244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.500244 (E_RNA)
where:
Base-Base interactions energy: -651.332
where: short stacking energy: -299.482
Base-Backbone interact. energy: -2.305
local terms energy: -393.863229
where:
bonds (distance) C4'-P energy: -76.442
bonds (distance) P-C4' energy: -108.606
flat angles C4'-P-C4' energy: -98.979
flat angles P-C4'-P energy: -61.182
tors. eta vs tors. theta energy: -48.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -563.769103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.769103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.769103 (E_RNA)
where:
Base-Base interactions energy: -257.315
where: short stacking energy: -159.987
Base-Backbone interact. energy: -1.770
local terms energy: -304.684604
where:
bonds (distance) C4'-P energy: -95.692
bonds (distance) P-C4' energy: -96.527
flat angles C4'-P-C4' energy: -101.065
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: 11.890
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: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -459.606315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.606315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.606315 (E_RNA)
where:
Base-Base interactions energy: -146.968
where: short stacking energy: -123.679
Base-Backbone interact. energy: 0.240
local terms energy: -312.878925
where:
bonds (distance) C4'-P energy: -88.365
bonds (distance) P-C4' energy: -110.391
flat angles C4'-P-C4' energy: -95.197
flat angles P-C4'-P energy: -46.628
tors. eta vs tors. theta energy: 27.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2047.472830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.472830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.472830 (E_RNA)
where:
Base-Base interactions energy: -1422.776
where: short stacking energy: -564.738
Base-Backbone interact. energy: -3.336
local terms energy: -621.361039
where:
bonds (distance) C4'-P energy: -112.058
bonds (distance) P-C4' energy: -126.031
flat angles C4'-P-C4' energy: -141.102
flat angles P-C4'-P energy: -84.752
tors. eta vs tors. theta energy: -157.419
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: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1978.963069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.963069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.963069 (E_RNA)
where:
Base-Base interactions energy: -1361.530
where: short stacking energy: -593.912
Base-Backbone interact. energy: 0.199
local terms energy: -617.631384
where:
bonds (distance) C4'-P energy: -108.524
bonds (distance) P-C4' energy: -116.378
flat angles C4'-P-C4' energy: -143.710
flat angles P-C4'-P energy: -82.102
tors. eta vs tors. theta energy: -166.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1852.581819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.581819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.581819 (E_RNA)
where:
Base-Base interactions energy: -1288.332
where: short stacking energy: -523.022
Base-Backbone interact. energy: -2.359
local terms energy: -561.891207
where:
bonds (distance) C4'-P energy: -95.238
bonds (distance) P-C4' energy: -117.726
flat angles C4'-P-C4' energy: -129.128
flat angles P-C4'-P energy: -73.370
tors. eta vs tors. theta energy: -146.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1682.987745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.987745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.987745 (E_RNA)
where:
Base-Base interactions energy: -1139.744
where: short stacking energy: -489.839
Base-Backbone interact. energy: -0.027
local terms energy: -543.216085
where:
bonds (distance) C4'-P energy: -96.691
bonds (distance) P-C4' energy: -114.687
flat angles C4'-P-C4' energy: -122.640
flat angles P-C4'-P energy: -70.405
tors. eta vs tors. theta energy: -138.793
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: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1626.477114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.477114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.477114 (E_RNA)
where:
Base-Base interactions energy: -1078.866
where: short stacking energy: -484.643
Base-Backbone interact. energy: 0.121
local terms energy: -547.731894
where:
bonds (distance) C4'-P energy: -104.649
bonds (distance) P-C4' energy: -104.296
flat angles C4'-P-C4' energy: -125.640
flat angles P-C4'-P energy: -76.878
tors. eta vs tors. theta energy: -136.268
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: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1509.047983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.047983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.047983 (E_RNA)
where:
Base-Base interactions energy: -1008.178
where: short stacking energy: -418.409
Base-Backbone interact. energy: -1.823
local terms energy: -499.046938
where:
bonds (distance) C4'-P energy: -101.431
bonds (distance) P-C4' energy: -108.117
flat angles C4'-P-C4' energy: -111.189
flat angles P-C4'-P energy: -66.150
tors. eta vs tors. theta energy: -112.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1247.026077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.026077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.026077 (E_RNA)
where:
Base-Base interactions energy: -818.423
where: short stacking energy: -361.436
Base-Backbone interact. energy: 2.180
local terms energy: -430.783233
where:
bonds (distance) C4'-P energy: -102.621
bonds (distance) P-C4' energy: -101.306
flat angles C4'-P-C4' energy: -99.484
flat angles P-C4'-P energy: -51.751
tors. eta vs tors. theta energy: -75.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1050.690862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.690862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.690862 (E_RNA)
where:
Base-Base interactions energy: -645.418
where: short stacking energy: -302.043
Base-Backbone interact. energy: -1.479
local terms energy: -403.793763
where:
bonds (distance) C4'-P energy: -102.136
bonds (distance) P-C4' energy: -100.668
flat angles C4'-P-C4' energy: -107.854
flat angles P-C4'-P energy: -58.689
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -563.863158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.863158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.863158 (E_RNA)
where:
Base-Base interactions energy: -228.105
where: short stacking energy: -154.982
Base-Backbone interact. energy: 2.443
local terms energy: -338.201405
where:
bonds (distance) C4'-P energy: -93.816
bonds (distance) P-C4' energy: -107.138
flat angles C4'-P-C4' energy: -90.241
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: 7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -448.429244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.429244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.429244 (E_RNA)
where:
Base-Base interactions energy: -144.935
where: short stacking energy: -121.065
Base-Backbone interact. energy: -0.939
local terms energy: -302.555379
where:
bonds (distance) C4'-P energy: -93.092
bonds (distance) P-C4' energy: -98.538
flat angles C4'-P-C4' energy: -81.566
flat angles P-C4'-P energy: -43.699
tors. eta vs tors. theta energy: 14.340
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: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2008.204299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.204299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.204299 (E_RNA)
where:
Base-Base interactions energy: -1367.889
where: short stacking energy: -551.978
Base-Backbone interact. energy: -4.289
local terms energy: -636.026042
where:
bonds (distance) C4'-P energy: -127.701
bonds (distance) P-C4' energy: -124.981
flat angles C4'-P-C4' energy: -135.601
flat angles P-C4'-P energy: -79.202
tors. eta vs tors. theta energy: -168.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1966.584928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.584928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.584928 (E_RNA)
where:
Base-Base interactions energy: -1333.413
where: short stacking energy: -589.117
Base-Backbone interact. energy: -2.807
local terms energy: -630.364537
where:
bonds (distance) C4'-P energy: -120.767
bonds (distance) P-C4' energy: -122.478
flat angles C4'-P-C4' energy: -134.913
flat angles P-C4'-P energy: -80.213
tors. eta vs tors. theta energy: -171.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1853.372549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.372549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.372549 (E_RNA)
where:
Base-Base interactions energy: -1294.855
where: short stacking energy: -539.316
Base-Backbone interact. energy: -6.712
local terms energy: -551.805359
where:
bonds (distance) C4'-P energy: -109.437
bonds (distance) P-C4' energy: -100.881
flat angles C4'-P-C4' energy: -121.307
flat angles P-C4'-P energy: -68.456
tors. eta vs tors. theta energy: -151.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1688.166751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.166751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.166751 (E_RNA)
where:
Base-Base interactions energy: -1141.335
where: short stacking energy: -489.075
Base-Backbone interact. energy: 0.510
local terms energy: -547.341371
where:
bonds (distance) C4'-P energy: -101.942
bonds (distance) P-C4' energy: -121.804
flat angles C4'-P-C4' energy: -114.899
flat angles P-C4'-P energy: -75.222
tors. eta vs tors. theta energy: -133.474
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: 178
Temperature: 1.100000
Total energy: -1582.522363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.522363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.522363 (E_RNA)
where:
Base-Base interactions energy: -1048.203
where: short stacking energy: -446.991
Base-Backbone interact. energy: 2.034
local terms energy: -536.353262
where:
bonds (distance) C4'-P energy: -106.645
bonds (distance) P-C4' energy: -102.410
flat angles C4'-P-C4' energy: -120.408
flat angles P-C4'-P energy: -80.824
tors. eta vs tors. theta energy: -126.067
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: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1486.270963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.270963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.270963 (E_RNA)
where:
Base-Base interactions energy: -977.259
where: short stacking energy: -446.382
Base-Backbone interact. energy: -2.679
local terms energy: -506.332547
where:
bonds (distance) C4'-P energy: -104.736
bonds (distance) P-C4' energy: -108.626
flat angles C4'-P-C4' energy: -112.844
flat angles P-C4'-P energy: -70.243
tors. eta vs tors. theta energy: -109.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1282.420463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.420463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.420463 (E_RNA)
where:
Base-Base interactions energy: -834.966
where: short stacking energy: -366.589
Base-Backbone interact. energy: -3.691
local terms energy: -443.763753
where:
bonds (distance) C4'-P energy: -101.547
bonds (distance) P-C4' energy: -96.758
flat angles C4'-P-C4' energy: -103.083
flat angles P-C4'-P energy: -49.577
tors. eta vs tors. theta energy: -92.799
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: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1115.510923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.510923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.510923 (E_RNA)
where:
Base-Base interactions energy: -706.522
where: short stacking energy: -313.758
Base-Backbone interact. energy: -1.694
local terms energy: -407.295127
where:
bonds (distance) C4'-P energy: -102.683
bonds (distance) P-C4' energy: -95.617
flat angles C4'-P-C4' energy: -104.250
flat angles P-C4'-P energy: -48.222
tors. eta vs tors. theta energy: -56.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -605.208405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.208405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.208405 (E_RNA)
where:
Base-Base interactions energy: -266.362
where: short stacking energy: -182.381
Base-Backbone interact. energy: 6.012
local terms energy: -344.858534
where:
bonds (distance) C4'-P energy: -94.507
bonds (distance) P-C4' energy: -117.469
flat angles C4'-P-C4' energy: -80.620
flat angles P-C4'-P energy: -38.234
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -457.360868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.360868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.360868 (E_RNA)
where:
Base-Base interactions energy: -145.813
where: short stacking energy: -107.389
Base-Backbone interact. energy: 0.093
local terms energy: -311.640532
where:
bonds (distance) C4'-P energy: -111.637
bonds (distance) P-C4' energy: -99.358
flat angles C4'-P-C4' energy: -66.278
flat angles P-C4'-P energy: -58.786
tors. eta vs tors. theta energy: 24.419
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: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1990.753523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.753523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.753523 (E_RNA)
where:
Base-Base interactions energy: -1387.194
where: short stacking energy: -571.625
Base-Backbone interact. energy: -1.945
local terms energy: -601.614651
where:
bonds (distance) C4'-P energy: -103.347
bonds (distance) P-C4' energy: -117.783
flat angles C4'-P-C4' energy: -135.797
flat angles P-C4'-P energy: -84.249
tors. eta vs tors. theta energy: -160.439
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: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1968.354149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.354149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.354149 (E_RNA)
where:
Base-Base interactions energy: -1338.192
where: short stacking energy: -603.514
Base-Backbone interact. energy: -3.269
local terms energy: -626.892695
where:
bonds (distance) C4'-P energy: -107.762
bonds (distance) P-C4' energy: -121.140
flat angles C4'-P-C4' energy: -134.669
flat angles P-C4'-P energy: -80.080
tors. eta vs tors. theta energy: -183.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1809.195301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.195301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.195301 (E_RNA)
where:
Base-Base interactions energy: -1243.057
where: short stacking energy: -521.624
Base-Backbone interact. energy: -2.260
local terms energy: -563.878506
where:
bonds (distance) C4'-P energy: -113.088
bonds (distance) P-C4' energy: -124.691
flat angles C4'-P-C4' energy: -116.140
flat angles P-C4'-P energy: -80.009
tors. eta vs tors. theta energy: -129.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1688.267746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.267746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.267746 (E_RNA)
where:
Base-Base interactions energy: -1152.963
where: short stacking energy: -485.659
Base-Backbone interact. energy: -2.323
local terms energy: -532.981655
where:
bonds (distance) C4'-P energy: -111.782
bonds (distance) P-C4' energy: -109.817
flat angles C4'-P-C4' energy: -99.977
flat angles P-C4'-P energy: -79.332
tors. eta vs tors. theta energy: -132.075
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: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1596.971439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.971439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.971439 (E_RNA)
where:
Base-Base interactions energy: -1064.244
where: short stacking energy: -444.102
Base-Backbone interact. energy: -1.806
local terms energy: -530.921082
where:
bonds (distance) C4'-P energy: -102.735
bonds (distance) P-C4' energy: -101.607
flat angles C4'-P-C4' energy: -123.751
flat angles P-C4'-P energy: -68.641
tors. eta vs tors. theta energy: -134.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1517.851732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.851732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.851732 (E_RNA)
where:
Base-Base interactions energy: -1035.671
where: short stacking energy: -451.184
Base-Backbone interact. energy: 0.094
local terms energy: -482.274663
where:
bonds (distance) C4'-P energy: -101.848
bonds (distance) P-C4' energy: -91.066
flat angles C4'-P-C4' energy: -110.221
flat angles P-C4'-P energy: -64.298
tors. eta vs tors. theta energy: -114.841
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: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1224.519027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.519027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.519027 (E_RNA)
where:
Base-Base interactions energy: -786.524
where: short stacking energy: -329.262
Base-Backbone interact. energy: -3.265
local terms energy: -434.730006
where:
bonds (distance) C4'-P energy: -93.304
bonds (distance) P-C4' energy: -110.822
flat angles C4'-P-C4' energy: -101.700
flat angles P-C4'-P energy: -59.577
tors. eta vs tors. theta energy: -69.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1120.240998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.240998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.240998 (E_RNA)
where:
Base-Base interactions energy: -673.273
where: short stacking energy: -307.687
Base-Backbone interact. energy: -3.059
local terms energy: -443.909362
where:
bonds (distance) C4'-P energy: -99.112
bonds (distance) P-C4' energy: -104.745
flat angles C4'-P-C4' energy: -108.659
flat angles P-C4'-P energy: -71.635
tors. eta vs tors. theta energy: -59.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -600.504799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.504799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.504799 (E_RNA)
where:
Base-Base interactions energy: -278.843
where: short stacking energy: -157.127
Base-Backbone interact. energy: -2.285
local terms energy: -319.376523
where:
bonds (distance) C4'-P energy: -92.659
bonds (distance) P-C4' energy: -90.121
flat angles C4'-P-C4' energy: -86.198
flat angles P-C4'-P energy: -43.579
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -438.639768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.639768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.639768 (E_RNA)
where:
Base-Base interactions energy: -154.235
where: short stacking energy: -122.949
Base-Backbone interact. energy: 0.430
local terms energy: -284.835150
where:
bonds (distance) C4'-P energy: -86.762
bonds (distance) P-C4' energy: -95.381
flat angles C4'-P-C4' energy: -75.907
flat angles P-C4'-P energy: -49.015
tors. eta vs tors. theta energy: 22.231
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: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2015.537172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.537172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.537172 (E_RNA)
where:
Base-Base interactions energy: -1364.989
where: short stacking energy: -599.635
Base-Backbone interact. energy: -4.416
local terms energy: -646.132953
where:
bonds (distance) C4'-P energy: -110.652
bonds (distance) P-C4' energy: -111.251
flat angles C4'-P-C4' energy: -138.313
flat angles P-C4'-P energy: -103.393
tors. eta vs tors. theta energy: -182.524
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: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1937.912971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.912971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.912971 (E_RNA)
where:
Base-Base interactions energy: -1346.051
where: short stacking energy: -554.552
Base-Backbone interact. energy: -1.360
local terms energy: -590.501512
where:
bonds (distance) C4'-P energy: -109.595
bonds (distance) P-C4' energy: -110.286
flat angles C4'-P-C4' energy: -127.652
flat angles P-C4'-P energy: -85.200
tors. eta vs tors. theta energy: -157.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1841.286328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.286328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.286328 (E_RNA)
where:
Base-Base interactions energy: -1284.161
where: short stacking energy: -501.597
Base-Backbone interact. energy: -4.203
local terms energy: -552.921898
where:
bonds (distance) C4'-P energy: -110.418
bonds (distance) P-C4' energy: -113.393
flat angles C4'-P-C4' energy: -121.436
flat angles P-C4'-P energy: -70.076
tors. eta vs tors. theta energy: -137.600
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: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1712.008851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.008851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.008851 (E_RNA)
where:
Base-Base interactions energy: -1182.116
where: short stacking energy: -494.393
Base-Backbone interact. energy: 4.316
local terms energy: -534.209087
where:
bonds (distance) C4'-P energy: -109.125
bonds (distance) P-C4' energy: -114.205
flat angles C4'-P-C4' energy: -104.831
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -130.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1593.179190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.179190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.179190 (E_RNA)
where:
Base-Base interactions energy: -1064.012
where: short stacking energy: -463.311
Base-Backbone interact. energy: -3.202
local terms energy: -525.965669
where:
bonds (distance) C4'-P energy: -100.074
bonds (distance) P-C4' energy: -97.799
flat angles C4'-P-C4' energy: -113.796
flat angles P-C4'-P energy: -67.463
tors. eta vs tors. theta energy: -146.833
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: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1535.817311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.817311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.817311 (E_RNA)
where:
Base-Base interactions energy: -1048.212
where: short stacking energy: -447.456
Base-Backbone interact. energy: -1.823
local terms energy: -485.782247
where:
bonds (distance) C4'-P energy: -83.726
bonds (distance) P-C4' energy: -96.337
flat angles C4'-P-C4' energy: -120.456
flat angles P-C4'-P energy: -61.540
tors. eta vs tors. theta energy: -123.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1229.623250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.623250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.623250 (E_RNA)
where:
Base-Base interactions energy: -784.222
where: short stacking energy: -331.334
Base-Backbone interact. energy: 0.331
local terms energy: -445.731538
where:
bonds (distance) C4'-P energy: -92.950
bonds (distance) P-C4' energy: -117.131
flat angles C4'-P-C4' energy: -101.842
flat angles P-C4'-P energy: -72.896
tors. eta vs tors. theta energy: -60.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1110.077330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.077330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.077330 (E_RNA)
where:
Base-Base interactions energy: -687.476
where: short stacking energy: -302.995
Base-Backbone interact. energy: 1.014
local terms energy: -423.615080
where:
bonds (distance) C4'-P energy: -96.439
bonds (distance) P-C4' energy: -115.586
flat angles C4'-P-C4' energy: -88.534
flat angles P-C4'-P energy: -59.729
tors. eta vs tors. theta energy: -63.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -581.065992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.065992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.065992 (E_RNA)
where:
Base-Base interactions energy: -238.229
where: short stacking energy: -164.881
Base-Backbone interact. energy: -2.025
local terms energy: -340.811862
where:
bonds (distance) C4'-P energy: -98.898
bonds (distance) P-C4' energy: -82.824
flat angles C4'-P-C4' energy: -105.392
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -1.407
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: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -426.329385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.329385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.329385 (E_RNA)
where:
Base-Base interactions energy: -156.123
where: short stacking energy: -136.923
Base-Backbone interact. energy: 4.252
local terms energy: -274.458497
where:
bonds (distance) C4'-P energy: -98.530
bonds (distance) P-C4' energy: -86.943
flat angles C4'-P-C4' energy: -54.346
flat angles P-C4'-P energy: -54.448
tors. eta vs tors. theta energy: 19.808
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: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2016.541984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.541984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.541984 (E_RNA)
where:
Base-Base interactions energy: -1377.480
where: short stacking energy: -597.225
Base-Backbone interact. energy: -0.809
local terms energy: -638.252983
where:
bonds (distance) C4'-P energy: -123.299
bonds (distance) P-C4' energy: -106.243
flat angles C4'-P-C4' energy: -136.300
flat angles P-C4'-P energy: -92.068
tors. eta vs tors. theta energy: -180.343
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: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1974.457458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.457458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.457458 (E_RNA)
where:
Base-Base interactions energy: -1354.211
where: short stacking energy: -559.179
Base-Backbone interact. energy: -0.940
local terms energy: -619.306185
where:
bonds (distance) C4'-P energy: -117.288
bonds (distance) P-C4' energy: -118.988
flat angles C4'-P-C4' energy: -125.770
flat angles P-C4'-P energy: -94.566
tors. eta vs tors. theta energy: -162.694
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: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1867.388656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.388656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.388656 (E_RNA)
where:
Base-Base interactions energy: -1299.030
where: short stacking energy: -514.665
Base-Backbone interact. energy: 1.464
local terms energy: -569.822567
where:
bonds (distance) C4'-P energy: -109.108
bonds (distance) P-C4' energy: -113.157
flat angles C4'-P-C4' energy: -129.162
flat angles P-C4'-P energy: -75.498
tors. eta vs tors. theta energy: -142.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1749.501027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.501027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.501027 (E_RNA)
where:
Base-Base interactions energy: -1191.571
where: short stacking energy: -524.268
Base-Backbone interact. energy: -2.286
local terms energy: -555.644317
where:
bonds (distance) C4'-P energy: -93.125
bonds (distance) P-C4' energy: -107.103
flat angles C4'-P-C4' energy: -130.727
flat angles P-C4'-P energy: -78.305
tors. eta vs tors. theta energy: -146.384
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: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1580.892962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.892962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.892962 (E_RNA)
where:
Base-Base interactions energy: -1025.678
where: short stacking energy: -461.788
Base-Backbone interact. energy: -0.156
local terms energy: -555.059286
where:
bonds (distance) C4'-P energy: -112.756
bonds (distance) P-C4' energy: -109.209
flat angles C4'-P-C4' energy: -122.914
flat angles P-C4'-P energy: -82.508
tors. eta vs tors. theta energy: -127.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1511.855064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.855064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.855064 (E_RNA)
where:
Base-Base interactions energy: -1022.734
where: short stacking energy: -435.003
Base-Backbone interact. energy: -2.249
local terms energy: -486.872674
where:
bonds (distance) C4'-P energy: -103.035
bonds (distance) P-C4' energy: -123.873
flat angles C4'-P-C4' energy: -87.963
flat angles P-C4'-P energy: -57.190
tors. eta vs tors. theta energy: -114.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1257.048005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.048005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.048005 (E_RNA)
where:
Base-Base interactions energy: -785.401
where: short stacking energy: -351.715
Base-Backbone interact. energy: -1.385
local terms energy: -470.262185
where:
bonds (distance) C4'-P energy: -105.511
bonds (distance) P-C4' energy: -114.567
flat angles C4'-P-C4' energy: -99.357
flat angles P-C4'-P energy: -62.292
tors. eta vs tors. theta energy: -88.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1156.070801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.070801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.070801 (E_RNA)
where:
Base-Base interactions energy: -733.541
where: short stacking energy: -340.837
Base-Backbone interact. energy: -1.688
local terms energy: -420.841319
where:
bonds (distance) C4'-P energy: -84.670
bonds (distance) P-C4' energy: -88.272
flat angles C4'-P-C4' energy: -104.868
flat angles P-C4'-P energy: -74.688
tors. eta vs tors. theta energy: -68.343
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: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -571.264974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.264974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.264974 (E_RNA)
where:
Base-Base interactions energy: -257.055
where: short stacking energy: -162.923
Base-Backbone interact. energy: 1.332
local terms energy: -315.541568
where:
bonds (distance) C4'-P energy: -87.011
bonds (distance) P-C4' energy: -97.528
flat angles C4'-P-C4' energy: -89.383
flat angles P-C4'-P energy: -44.274
tors. eta vs tors. theta energy: 2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -458.944803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.944803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.944803 (E_RNA)
where:
Base-Base interactions energy: -160.557
where: short stacking energy: -149.973
Base-Backbone interact. energy: -0.291
local terms energy: -298.096444
where:
bonds (distance) C4'-P energy: -81.678
bonds (distance) P-C4' energy: -106.660
flat angles C4'-P-C4' energy: -79.220
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: 8.076
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: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1987.782646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.782646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.782646 (E_RNA)
where:
Base-Base interactions energy: -1339.040
where: short stacking energy: -594.982
Base-Backbone interact. energy: -0.889
local terms energy: -647.853612
where:
bonds (distance) C4'-P energy: -121.620
bonds (distance) P-C4' energy: -121.215
flat angles C4'-P-C4' energy: -130.236
flat angles P-C4'-P energy: -97.001
tors. eta vs tors. theta energy: -177.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1964.597048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.597048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.597048 (E_RNA)
where:
Base-Base interactions energy: -1355.900
where: short stacking energy: -550.822
Base-Backbone interact. energy: -2.598
local terms energy: -606.099078
where:
bonds (distance) C4'-P energy: -116.644
bonds (distance) P-C4' energy: -117.474
flat angles C4'-P-C4' energy: -123.345
flat angles P-C4'-P energy: -89.815
tors. eta vs tors. theta energy: -158.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1864.749354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.749354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.749354 (E_RNA)
where:
Base-Base interactions energy: -1307.768
where: short stacking energy: -526.955
Base-Backbone interact. energy: -1.712
local terms energy: -555.269009
where:
bonds (distance) C4'-P energy: -100.216
bonds (distance) P-C4' energy: -105.842
flat angles C4'-P-C4' energy: -124.993
flat angles P-C4'-P energy: -67.336
tors. eta vs tors. theta energy: -156.882
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: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1695.650184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.650184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.650184 (E_RNA)
where:
Base-Base interactions energy: -1153.309
where: short stacking energy: -506.007
Base-Backbone interact. energy: -1.394
local terms energy: -540.946775
where:
bonds (distance) C4'-P energy: -89.582
bonds (distance) P-C4' energy: -107.090
flat angles C4'-P-C4' energy: -114.607
flat angles P-C4'-P energy: -81.240
tors. eta vs tors. theta energy: -148.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1601.265845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.265845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.265845 (E_RNA)
where:
Base-Base interactions energy: -1055.330
where: short stacking energy: -472.266
Base-Backbone interact. energy: -0.551
local terms energy: -545.384898
where:
bonds (distance) C4'-P energy: -111.501
bonds (distance) P-C4' energy: -104.350
flat angles C4'-P-C4' energy: -127.650
flat angles P-C4'-P energy: -78.850
tors. eta vs tors. theta energy: -123.033
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: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1515.419827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.419827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.419827 (E_RNA)
where:
Base-Base interactions energy: -1041.723
where: short stacking energy: -430.736
Base-Backbone interact. energy: -0.306
local terms energy: -473.391126
where:
bonds (distance) C4'-P energy: -73.738
bonds (distance) P-C4' energy: -100.513
flat angles C4'-P-C4' energy: -118.938
flat angles P-C4'-P energy: -62.959
tors. eta vs tors. theta energy: -117.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1282.205059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.205059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.205059 (E_RNA)
where:
Base-Base interactions energy: -842.119
where: short stacking energy: -344.808
Base-Backbone interact. energy: -0.339
local terms energy: -439.747140
where:
bonds (distance) C4'-P energy: -96.750
bonds (distance) P-C4' energy: -115.668
flat angles C4'-P-C4' energy: -92.402
flat angles P-C4'-P energy: -65.875
tors. eta vs tors. theta energy: -69.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1160.328151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.328151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.328151 (E_RNA)
where:
Base-Base interactions energy: -739.127
where: short stacking energy: -343.180
Base-Backbone interact. energy: -2.957
local terms energy: -418.244553
where:
bonds (distance) C4'-P energy: -91.731
bonds (distance) P-C4' energy: -106.165
flat angles C4'-P-C4' energy: -99.916
flat angles P-C4'-P energy: -63.269
tors. eta vs tors. theta energy: -57.163
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: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -494.007293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.007293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.007293 (E_RNA)
where:
Base-Base interactions energy: -216.559
where: short stacking energy: -127.777
Base-Backbone interact. energy: 1.283
local terms energy: -278.730773
where:
bonds (distance) C4'-P energy: -86.036
bonds (distance) P-C4' energy: -89.120
flat angles C4'-P-C4' energy: -80.928
flat angles P-C4'-P energy: -46.506
tors. eta vs tors. theta energy: 23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -518.872359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.872359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.872359 (E_RNA)
where:
Base-Base interactions energy: -218.453
where: short stacking energy: -137.874
Base-Backbone interact. energy: 1.460
local terms energy: -301.879205
where:
bonds (distance) C4'-P energy: -96.273
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -87.059
flat angles P-C4'-P energy: -48.408
tors. eta vs tors. theta energy: 30.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1999.479542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.479542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.479542 (E_RNA)
where:
Base-Base interactions energy: -1352.121
where: short stacking energy: -605.958
Base-Backbone interact. energy: -1.989
local terms energy: -645.369556
where:
bonds (distance) C4'-P energy: -118.082
bonds (distance) P-C4' energy: -130.295
flat angles C4'-P-C4' energy: -126.681
flat angles P-C4'-P energy: -92.291
tors. eta vs tors. theta energy: -178.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1960.332689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.332689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.332689 (E_RNA)
where:
Base-Base interactions energy: -1360.154
where: short stacking energy: -560.458
Base-Backbone interact. energy: -2.747
local terms energy: -597.432189
where:
bonds (distance) C4'-P energy: -112.351
bonds (distance) P-C4' energy: -113.600
flat angles C4'-P-C4' energy: -133.511
flat angles P-C4'-P energy: -71.693
tors. eta vs tors. theta energy: -166.279
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: 183
Temperature: 1.000000
Total energy: -1868.012388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.012388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.012388 (E_RNA)
where:
Base-Base interactions energy: -1314.840
where: short stacking energy: -535.922
Base-Backbone interact. energy: -0.135
local terms energy: -553.036565
where:
bonds (distance) C4'-P energy: -104.996
bonds (distance) P-C4' energy: -94.635
flat angles C4'-P-C4' energy: -131.295
flat angles P-C4'-P energy: -80.965
tors. eta vs tors. theta energy: -141.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1734.272872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.272872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.272872 (E_RNA)
where:
Base-Base interactions energy: -1167.545
where: short stacking energy: -514.735
Base-Backbone interact. energy: -4.876
local terms energy: -561.852042
where:
bonds (distance) C4'-P energy: -106.014
bonds (distance) P-C4' energy: -104.927
flat angles C4'-P-C4' energy: -114.038
flat angles P-C4'-P energy: -84.185
tors. eta vs tors. theta energy: -152.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1632.991597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.991597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.991597 (E_RNA)
where:
Base-Base interactions energy: -1085.231
where: short stacking energy: -470.233
Base-Backbone interact. energy: 0.177
local terms energy: -547.937276
where:
bonds (distance) C4'-P energy: -102.970
bonds (distance) P-C4' energy: -113.009
flat angles C4'-P-C4' energy: -124.569
flat angles P-C4'-P energy: -78.208
tors. eta vs tors. theta energy: -129.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1529.651189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.651189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.651189 (E_RNA)
where:
Base-Base interactions energy: -1013.147
where: short stacking energy: -462.532
Base-Backbone interact. energy: -2.420
local terms energy: -514.084760
where:
bonds (distance) C4'-P energy: -102.770
bonds (distance) P-C4' energy: -107.168
flat angles C4'-P-C4' energy: -115.005
flat angles P-C4'-P energy: -67.206
tors. eta vs tors. theta energy: -121.936
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: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1315.648549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.648549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.648549 (E_RNA)
where:
Base-Base interactions energy: -857.823
where: short stacking energy: -383.498
Base-Backbone interact. energy: -0.062
local terms energy: -457.763659
where:
bonds (distance) C4'-P energy: -109.038
bonds (distance) P-C4' energy: -88.798
flat angles C4'-P-C4' energy: -84.566
flat angles P-C4'-P energy: -75.865
tors. eta vs tors. theta energy: -99.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1155.351596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.351596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.351596 (E_RNA)
where:
Base-Base interactions energy: -742.061
where: short stacking energy: -334.758
Base-Backbone interact. energy: -1.771
local terms energy: -411.519911
where:
bonds (distance) C4'-P energy: -107.079
bonds (distance) P-C4' energy: -82.519
flat angles C4'-P-C4' energy: -103.317
flat angles P-C4'-P energy: -62.355
tors. eta vs tors. theta energy: -56.250
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: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -508.398924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.398924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.398924 (E_RNA)
where:
Base-Base interactions energy: -193.303
where: short stacking energy: -141.400
Base-Backbone interact. energy: 1.603
local terms energy: -316.698801
where:
bonds (distance) C4'-P energy: -98.027
bonds (distance) P-C4' energy: -113.838
flat angles C4'-P-C4' energy: -86.031
flat angles P-C4'-P energy: -44.801
tors. eta vs tors. theta energy: 25.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -510.794950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.794950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.794950 (E_RNA)
where:
Base-Base interactions energy: -224.021
where: short stacking energy: -140.266
Base-Backbone interact. energy: 5.031
local terms energy: -291.804250
where:
bonds (distance) C4'-P energy: -99.315
bonds (distance) P-C4' energy: -97.376
flat angles C4'-P-C4' energy: -69.484
flat angles P-C4'-P energy: -46.497
tors. eta vs tors. theta energy: 20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1983.557696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.557696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.557696 (E_RNA)
where:
Base-Base interactions energy: -1341.442
where: short stacking energy: -597.124
Base-Backbone interact. energy: -3.490
local terms energy: -638.626040
where:
bonds (distance) C4'-P energy: -121.546
bonds (distance) P-C4' energy: -119.986
flat angles C4'-P-C4' energy: -138.592
flat angles P-C4'-P energy: -87.337
tors. eta vs tors. theta energy: -171.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1962.673617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.673617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.673617 (E_RNA)
where:
Base-Base interactions energy: -1363.409
where: short stacking energy: -540.789
Base-Backbone interact. energy: -1.913
local terms energy: -597.351782
where:
bonds (distance) C4'-P energy: -123.911
bonds (distance) P-C4' energy: -124.114
flat angles C4'-P-C4' energy: -113.033
flat angles P-C4'-P energy: -83.044
tors. eta vs tors. theta energy: -153.250
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: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1890.000143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.000143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.000143 (E_RNA)
where:
Base-Base interactions energy: -1327.608
where: short stacking energy: -524.396
Base-Backbone interact. energy: -3.769
local terms energy: -558.622686
where:
bonds (distance) C4'-P energy: -93.451
bonds (distance) P-C4' energy: -114.465
flat angles C4'-P-C4' energy: -121.166
flat angles P-C4'-P energy: -79.420
tors. eta vs tors. theta energy: -150.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1749.701640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.701640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.701640 (E_RNA)
where:
Base-Base interactions energy: -1168.938
where: short stacking energy: -514.681
Base-Backbone interact. energy: -0.369
local terms energy: -580.394084
where:
bonds (distance) C4'-P energy: -118.313
bonds (distance) P-C4' energy: -117.571
flat angles C4'-P-C4' energy: -113.527
flat angles P-C4'-P energy: -78.210
tors. eta vs tors. theta energy: -152.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1633.213718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.213718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.213718 (E_RNA)
where:
Base-Base interactions energy: -1086.678
where: short stacking energy: -480.041
Base-Backbone interact. energy: 1.624
local terms energy: -548.159490
where:
bonds (distance) C4'-P energy: -97.241
bonds (distance) P-C4' energy: -117.180
flat angles C4'-P-C4' energy: -124.463
flat angles P-C4'-P energy: -73.430
tors. eta vs tors. theta energy: -135.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1498.863667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.863667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.863667 (E_RNA)
where:
Base-Base interactions energy: -989.531
where: short stacking energy: -388.317
Base-Backbone interact. energy: -1.087
local terms energy: -508.245465
where:
bonds (distance) C4'-P energy: -116.546
bonds (distance) P-C4' energy: -113.805
flat angles C4'-P-C4' energy: -111.972
flat angles P-C4'-P energy: -69.148
tors. eta vs tors. theta energy: -96.774
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: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1351.070742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.070742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.070742 (E_RNA)
where:
Base-Base interactions energy: -890.315
where: short stacking energy: -405.108
Base-Backbone interact. energy: -0.593
local terms energy: -460.163405
where:
bonds (distance) C4'-P energy: -95.756
bonds (distance) P-C4' energy: -99.424
flat angles C4'-P-C4' energy: -96.880
flat angles P-C4'-P energy: -73.334
tors. eta vs tors. theta energy: -94.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1109.930174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.930174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.930174 (E_RNA)
where:
Base-Base interactions energy: -702.253
where: short stacking energy: -330.607
Base-Backbone interact. energy: -0.871
local terms energy: -406.805991
where:
bonds (distance) C4'-P energy: -96.915
bonds (distance) P-C4' energy: -80.572
flat angles C4'-P-C4' energy: -111.833
flat angles P-C4'-P energy: -62.753
tors. eta vs tors. theta energy: -54.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -569.928209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.928209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.928209 (E_RNA)
where:
Base-Base interactions energy: -243.345
where: short stacking energy: -168.010
Base-Backbone interact. energy: -0.087
local terms energy: -326.496324
where:
bonds (distance) C4'-P energy: -99.798
bonds (distance) P-C4' energy: -98.477
flat angles C4'-P-C4' energy: -83.681
flat angles P-C4'-P energy: -50.105
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -490.502663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.502663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.502663 (E_RNA)
where:
Base-Base interactions energy: -188.558
where: short stacking energy: -151.798
Base-Backbone interact. energy: -4.081
local terms energy: -297.863116
where:
bonds (distance) C4'-P energy: -93.042
bonds (distance) P-C4' energy: -98.606
flat angles C4'-P-C4' energy: -79.764
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: 13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2007.495756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.495756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.495756 (E_RNA)
where:
Base-Base interactions energy: -1374.451
where: short stacking energy: -605.436
Base-Backbone interact. energy: 0.795
local terms energy: -633.839634
where:
bonds (distance) C4'-P energy: -117.085
bonds (distance) P-C4' energy: -120.172
flat angles C4'-P-C4' energy: -134.291
flat angles P-C4'-P energy: -80.731
tors. eta vs tors. theta energy: -181.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1978.355683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.355683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.355683 (E_RNA)
where:
Base-Base interactions energy: -1379.144
where: short stacking energy: -575.125
Base-Backbone interact. energy: -1.997
local terms energy: -597.215001
where:
bonds (distance) C4'-P energy: -104.487
bonds (distance) P-C4' energy: -111.433
flat angles C4'-P-C4' energy: -132.738
flat angles P-C4'-P energy: -86.017
tors. eta vs tors. theta energy: -162.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1907.411289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.411289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.411289 (E_RNA)
where:
Base-Base interactions energy: -1325.888
where: short stacking energy: -530.510
Base-Backbone interact. energy: 1.959
local terms energy: -583.481719
where:
bonds (distance) C4'-P energy: -122.612
bonds (distance) P-C4' energy: -115.313
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -76.598
tors. eta vs tors. theta energy: -149.847
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: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1743.119423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.119423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.119423 (E_RNA)
where:
Base-Base interactions energy: -1178.739
where: short stacking energy: -512.141
Base-Backbone interact. energy: 1.383
local terms energy: -565.763644
where:
bonds (distance) C4'-P energy: -105.314
bonds (distance) P-C4' energy: -102.415
flat angles C4'-P-C4' energy: -127.593
flat angles P-C4'-P energy: -83.731
tors. eta vs tors. theta energy: -146.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1650.232300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.232300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.232300 (E_RNA)
where:
Base-Base interactions energy: -1096.018
where: short stacking energy: -499.614
Base-Backbone interact. energy: -3.620
local terms energy: -550.594543
where:
bonds (distance) C4'-P energy: -99.059
bonds (distance) P-C4' energy: -117.137
flat angles C4'-P-C4' energy: -118.977
flat angles P-C4'-P energy: -69.093
tors. eta vs tors. theta energy: -146.329
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: 185
Temperature: 1.150000
Total energy: -1453.435008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.435008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.435008 (E_RNA)
where:
Base-Base interactions energy: -989.399
where: short stacking energy: -402.879
Base-Backbone interact. energy: 4.204
local terms energy: -468.239903
where:
bonds (distance) C4'-P energy: -90.336
bonds (distance) P-C4' energy: -96.441
flat angles C4'-P-C4' energy: -114.593
flat angles P-C4'-P energy: -67.945
tors. eta vs tors. theta energy: -98.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1340.190474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.190474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.190474 (E_RNA)
where:
Base-Base interactions energy: -903.599
where: short stacking energy: -381.547
Base-Backbone interact. energy: -1.921
local terms energy: -434.670331
where:
bonds (distance) C4'-P energy: -85.890
bonds (distance) P-C4' energy: -92.136
flat angles C4'-P-C4' energy: -98.484
flat angles P-C4'-P energy: -66.194
tors. eta vs tors. theta energy: -91.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1103.045752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.045752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.045752 (E_RNA)
where:
Base-Base interactions energy: -694.208
where: short stacking energy: -286.329
Base-Backbone interact. energy: -2.089
local terms energy: -406.748748
where:
bonds (distance) C4'-P energy: -104.464
bonds (distance) P-C4' energy: -98.441
flat angles C4'-P-C4' energy: -100.854
flat angles P-C4'-P energy: -57.229
tors. eta vs tors. theta energy: -45.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -580.863971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.863971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.863971 (E_RNA)
where:
Base-Base interactions energy: -237.938
where: short stacking energy: -135.231
Base-Backbone interact. energy: -0.388
local terms energy: -342.538953
where:
bonds (distance) C4'-P energy: -92.286
bonds (distance) P-C4' energy: -100.664
flat angles C4'-P-C4' energy: -90.523
flat angles P-C4'-P energy: -63.031
tors. eta vs tors. theta energy: 3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -445.718194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.718194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.718194 (E_RNA)
where:
Base-Base interactions energy: -164.651
where: short stacking energy: -122.599
Base-Backbone interact. energy: -2.031
local terms energy: -279.036091
where:
bonds (distance) C4'-P energy: -79.735
bonds (distance) P-C4' energy: -101.889
flat angles C4'-P-C4' energy: -71.864
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: 27.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2003.432746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.432746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.432746 (E_RNA)
where:
Base-Base interactions energy: -1387.076
where: short stacking energy: -601.389
Base-Backbone interact. energy: -2.368
local terms energy: -613.988970
where:
bonds (distance) C4'-P energy: -100.333
bonds (distance) P-C4' energy: -123.663
flat angles C4'-P-C4' energy: -130.931
flat angles P-C4'-P energy: -82.584
tors. eta vs tors. theta energy: -176.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1969.816881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.816881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.816881 (E_RNA)
where:
Base-Base interactions energy: -1378.780
where: short stacking energy: -563.841
Base-Backbone interact. energy: -1.825
local terms energy: -589.212404
where:
bonds (distance) C4'-P energy: -105.254
bonds (distance) P-C4' energy: -118.348
flat angles C4'-P-C4' energy: -131.207
flat angles P-C4'-P energy: -79.648
tors. eta vs tors. theta energy: -154.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1848.339464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.339464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.339464 (E_RNA)
where:
Base-Base interactions energy: -1273.569
where: short stacking energy: -505.868
Base-Backbone interact. energy: -4.912
local terms energy: -569.857799
where:
bonds (distance) C4'-P energy: -118.328
bonds (distance) P-C4' energy: -122.300
flat angles C4'-P-C4' energy: -119.502
flat angles P-C4'-P energy: -69.988
tors. eta vs tors. theta energy: -139.740
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: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1775.638664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.638664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.638664 (E_RNA)
where:
Base-Base interactions energy: -1208.753
where: short stacking energy: -537.624
Base-Backbone interact. energy: -1.559
local terms energy: -565.326631
where:
bonds (distance) C4'-P energy: -97.425
bonds (distance) P-C4' energy: -117.995
flat angles C4'-P-C4' energy: -112.010
flat angles P-C4'-P energy: -85.500
tors. eta vs tors. theta energy: -152.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1644.550586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.550586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.550586 (E_RNA)
where:
Base-Base interactions energy: -1114.961
where: short stacking energy: -494.213
Base-Backbone interact. energy: -3.695
local terms energy: -525.894506
where:
bonds (distance) C4'-P energy: -98.654
bonds (distance) P-C4' energy: -118.412
flat angles C4'-P-C4' energy: -126.090
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: -130.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1427.424805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.424805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.424805 (E_RNA)
where:
Base-Base interactions energy: -978.189
where: short stacking energy: -421.269
Base-Backbone interact. energy: 0.225
local terms energy: -449.460309
where:
bonds (distance) C4'-P energy: -98.982
bonds (distance) P-C4' energy: -90.838
flat angles C4'-P-C4' energy: -111.819
flat angles P-C4'-P energy: -54.492
tors. eta vs tors. theta energy: -93.329
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: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1210.765976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.765976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.765976 (E_RNA)
where:
Base-Base interactions energy: -801.953
where: short stacking energy: -342.130
Base-Backbone interact. energy: -2.204
local terms energy: -406.608593
where:
bonds (distance) C4'-P energy: -94.563
bonds (distance) P-C4' energy: -92.881
flat angles C4'-P-C4' energy: -101.781
flat angles P-C4'-P energy: -54.644
tors. eta vs tors. theta energy: -62.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1133.234645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.234645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.234645 (E_RNA)
where:
Base-Base interactions energy: -706.994
where: short stacking energy: -315.521
Base-Backbone interact. energy: -1.175
local terms energy: -425.065905
where:
bonds (distance) C4'-P energy: -97.708
bonds (distance) P-C4' energy: -94.345
flat angles C4'-P-C4' energy: -105.903
flat angles P-C4'-P energy: -57.408
tors. eta vs tors. theta energy: -69.701
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: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -622.326699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.326699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.326699 (E_RNA)
where:
Base-Base interactions energy: -271.099
where: short stacking energy: -145.878
Base-Backbone interact. energy: 4.508
local terms energy: -355.736101
where:
bonds (distance) C4'-P energy: -93.497
bonds (distance) P-C4' energy: -92.972
flat angles C4'-P-C4' energy: -92.009
flat angles P-C4'-P energy: -81.167
tors. eta vs tors. theta energy: 3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -451.264885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.264885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.264885 (E_RNA)
where:
Base-Base interactions energy: -186.500
where: short stacking energy: -139.312
Base-Backbone interact. energy: 5.477
local terms energy: -270.241096
where:
bonds (distance) C4'-P energy: -82.719
bonds (distance) P-C4' energy: -81.420
flat angles C4'-P-C4' energy: -78.659
flat angles P-C4'-P energy: -47.429
tors. eta vs tors. theta energy: 19.986
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: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1999.777379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.777379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.777379 (E_RNA)
where:
Base-Base interactions energy: -1375.143
where: short stacking energy: -594.738
Base-Backbone interact. energy: -1.213
local terms energy: -623.421334
where:
bonds (distance) C4'-P energy: -113.228
bonds (distance) P-C4' energy: -117.540
flat angles C4'-P-C4' energy: -132.152
flat angles P-C4'-P energy: -77.715
tors. eta vs tors. theta energy: -182.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1946.234374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.234374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.234374 (E_RNA)
where:
Base-Base interactions energy: -1352.009
where: short stacking energy: -549.221
Base-Backbone interact. energy: -1.853
local terms energy: -592.372416
where:
bonds (distance) C4'-P energy: -109.723
bonds (distance) P-C4' energy: -126.598
flat angles C4'-P-C4' energy: -120.497
flat angles P-C4'-P energy: -80.006
tors. eta vs tors. theta energy: -155.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1884.092373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.092373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.092373 (E_RNA)
where:
Base-Base interactions energy: -1313.593
where: short stacking energy: -547.987
Base-Backbone interact. energy: -2.051
local terms energy: -568.448158
where:
bonds (distance) C4'-P energy: -110.955
bonds (distance) P-C4' energy: -113.300
flat angles C4'-P-C4' energy: -120.979
flat angles P-C4'-P energy: -71.025
tors. eta vs tors. theta energy: -152.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1709.801276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.801276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.801276 (E_RNA)
where:
Base-Base interactions energy: -1129.153
where: short stacking energy: -509.212
Base-Backbone interact. energy: -2.045
local terms energy: -578.603746
where:
bonds (distance) C4'-P energy: -99.058
bonds (distance) P-C4' energy: -129.354
flat angles C4'-P-C4' energy: -124.337
flat angles P-C4'-P energy: -72.423
tors. eta vs tors. theta energy: -153.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1641.684152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.684152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.684152 (E_RNA)
where:
Base-Base interactions energy: -1112.095
where: short stacking energy: -483.715
Base-Backbone interact. energy: -3.428
local terms energy: -526.161264
where:
bonds (distance) C4'-P energy: -95.980
bonds (distance) P-C4' energy: -94.011
flat angles C4'-P-C4' energy: -116.331
flat angles P-C4'-P energy: -79.325
tors. eta vs tors. theta energy: -140.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1477.797263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.797263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.797263 (E_RNA)
where:
Base-Base interactions energy: -968.941
where: short stacking energy: -409.182
Base-Backbone interact. energy: -0.866
local terms energy: -507.990435
where:
bonds (distance) C4'-P energy: -110.413
bonds (distance) P-C4' energy: -96.649
flat angles C4'-P-C4' energy: -118.682
flat angles P-C4'-P energy: -74.408
tors. eta vs tors. theta energy: -107.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1297.994155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.994155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.994155 (E_RNA)
where:
Base-Base interactions energy: -868.032
where: short stacking energy: -360.675
Base-Backbone interact. energy: -1.090
local terms energy: -428.871231
where:
bonds (distance) C4'-P energy: -91.490
bonds (distance) P-C4' energy: -103.192
flat angles C4'-P-C4' energy: -103.962
flat angles P-C4'-P energy: -61.236
tors. eta vs tors. theta energy: -68.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1211.354687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.354687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.354687 (E_RNA)
where:
Base-Base interactions energy: -768.970
where: short stacking energy: -351.123
Base-Backbone interact. energy: -2.781
local terms energy: -439.603710
where:
bonds (distance) C4'-P energy: -95.150
bonds (distance) P-C4' energy: -108.626
flat angles C4'-P-C4' energy: -110.771
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: -77.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -618.035453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.035453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.035453 (E_RNA)
where:
Base-Base interactions energy: -282.235
where: short stacking energy: -155.463
Base-Backbone interact. energy: -3.034
local terms energy: -332.766972
where:
bonds (distance) C4'-P energy: -89.560
bonds (distance) P-C4' energy: -99.917
flat angles C4'-P-C4' energy: -88.698
flat angles P-C4'-P energy: -55.194
tors. eta vs tors. theta energy: 0.602
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: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -435.238423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.238423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.238423 (E_RNA)
where:
Base-Base interactions energy: -154.872
where: short stacking energy: -113.742
Base-Backbone interact. energy: 9.842
local terms energy: -290.209268
where:
bonds (distance) C4'-P energy: -84.489
bonds (distance) P-C4' energy: -104.799
flat angles C4'-P-C4' energy: -77.882
flat angles P-C4'-P energy: -48.773
tors. eta vs tors. theta energy: 25.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2000.249909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.249909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.249909 (E_RNA)
where:
Base-Base interactions energy: -1366.728
where: short stacking energy: -592.186
Base-Backbone interact. energy: -5.147
local terms energy: -628.374923
where:
bonds (distance) C4'-P energy: -124.843
bonds (distance) P-C4' energy: -108.781
flat angles C4'-P-C4' energy: -130.950
flat angles P-C4'-P energy: -89.116
tors. eta vs tors. theta energy: -174.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1941.888534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.888534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.888534 (E_RNA)
where:
Base-Base interactions energy: -1352.835
where: short stacking energy: -526.816
Base-Backbone interact. energy: -3.298
local terms energy: -585.754994
where:
bonds (distance) C4'-P energy: -105.530
bonds (distance) P-C4' energy: -114.587
flat angles C4'-P-C4' energy: -119.860
flat angles P-C4'-P energy: -91.360
tors. eta vs tors. theta energy: -154.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1856.399238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.399238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.399238 (E_RNA)
where:
Base-Base interactions energy: -1298.968
where: short stacking energy: -551.226
Base-Backbone interact. energy: 5.548
local terms energy: -562.979534
where:
bonds (distance) C4'-P energy: -104.122
bonds (distance) P-C4' energy: -101.733
flat angles C4'-P-C4' energy: -122.778
flat angles P-C4'-P energy: -81.128
tors. eta vs tors. theta energy: -153.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1741.617920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.617920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.617920 (E_RNA)
where:
Base-Base interactions energy: -1196.290
where: short stacking energy: -502.384
Base-Backbone interact. energy: -0.143
local terms energy: -545.185611
where:
bonds (distance) C4'-P energy: -105.354
bonds (distance) P-C4' energy: -98.755
flat angles C4'-P-C4' energy: -111.011
flat angles P-C4'-P energy: -83.040
tors. eta vs tors. theta energy: -147.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1583.814087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.814087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.814087 (E_RNA)
where:
Base-Base interactions energy: -1064.694
where: short stacking energy: -486.412
Base-Backbone interact. energy: -1.406
local terms energy: -517.713675
where:
bonds (distance) C4'-P energy: -85.861
bonds (distance) P-C4' energy: -99.215
flat angles C4'-P-C4' energy: -113.287
flat angles P-C4'-P energy: -87.042
tors. eta vs tors. theta energy: -132.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1441.783895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.783895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.783895 (E_RNA)
where:
Base-Base interactions energy: -965.676
where: short stacking energy: -383.526
Base-Backbone interact. energy: -3.507
local terms energy: -472.600826
where:
bonds (distance) C4'-P energy: -102.476
bonds (distance) P-C4' energy: -108.991
flat angles C4'-P-C4' energy: -106.058
flat angles P-C4'-P energy: -50.548
tors. eta vs tors. theta energy: -104.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1248.990437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.990437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.990437 (E_RNA)
where:
Base-Base interactions energy: -779.180
where: short stacking energy: -336.534
Base-Backbone interact. energy: 0.189
local terms energy: -469.998524
where:
bonds (distance) C4'-P energy: -91.736
bonds (distance) P-C4' energy: -116.350
flat angles C4'-P-C4' energy: -107.206
flat angles P-C4'-P energy: -75.602
tors. eta vs tors. theta energy: -79.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1191.919894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.919894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.919894 (E_RNA)
where:
Base-Base interactions energy: -785.920
where: short stacking energy: -357.339
Base-Backbone interact. energy: 3.745
local terms energy: -409.744788
where:
bonds (distance) C4'-P energy: -85.061
bonds (distance) P-C4' energy: -86.797
flat angles C4'-P-C4' energy: -92.778
flat angles P-C4'-P energy: -65.217
tors. eta vs tors. theta energy: -79.892
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: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -632.508756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.508756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.508756 (E_RNA)
where:
Base-Base interactions energy: -311.341
where: short stacking energy: -183.950
Base-Backbone interact. energy: 1.626
local terms energy: -322.793545
where:
bonds (distance) C4'-P energy: -84.932
bonds (distance) P-C4' energy: -99.972
flat angles C4'-P-C4' energy: -92.825
flat angles P-C4'-P energy: -46.731
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -440.239132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.239132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.239132 (E_RNA)
where:
Base-Base interactions energy: -186.293
where: short stacking energy: -143.832
Base-Backbone interact. energy: -2.473
local terms energy: -251.473232
where:
bonds (distance) C4'-P energy: -71.760
bonds (distance) P-C4' energy: -88.940
flat angles C4'-P-C4' energy: -63.566
flat angles P-C4'-P energy: -51.848
tors. eta vs tors. theta energy: 24.640
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: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1991.443403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.443403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.443403 (E_RNA)
where:
Base-Base interactions energy: -1374.013
where: short stacking energy: -592.528
Base-Backbone interact. energy: -1.099
local terms energy: -616.330884
where:
bonds (distance) C4'-P energy: -102.761
bonds (distance) P-C4' energy: -123.752
flat angles C4'-P-C4' energy: -121.123
flat angles P-C4'-P energy: -92.224
tors. eta vs tors. theta energy: -176.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1986.363411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.363411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.363411 (E_RNA)
where:
Base-Base interactions energy: -1366.897
where: short stacking energy: -564.907
Base-Backbone interact. energy: -0.247
local terms energy: -619.219855
where:
bonds (distance) C4'-P energy: -119.583
bonds (distance) P-C4' energy: -119.763
flat angles C4'-P-C4' energy: -123.592
flat angles P-C4'-P energy: -91.391
tors. eta vs tors. theta energy: -164.891
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: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1847.693774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.693774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.693774 (E_RNA)
where:
Base-Base interactions energy: -1278.808
where: short stacking energy: -532.743
Base-Backbone interact. energy: -3.603
local terms energy: -565.282897
where:
bonds (distance) C4'-P energy: -120.380
bonds (distance) P-C4' energy: -109.141
flat angles C4'-P-C4' energy: -120.918
flat angles P-C4'-P energy: -74.381
tors. eta vs tors. theta energy: -140.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1756.545182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.545182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.545182 (E_RNA)
where:
Base-Base interactions energy: -1180.255
where: short stacking energy: -508.896
Base-Backbone interact. energy: -1.635
local terms energy: -574.654587
where:
bonds (distance) C4'-P energy: -113.848
bonds (distance) P-C4' energy: -110.348
flat angles C4'-P-C4' energy: -129.325
flat angles P-C4'-P energy: -67.818
tors. eta vs tors. theta energy: -153.315
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: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1647.382747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.382747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.382747 (E_RNA)
where:
Base-Base interactions energy: -1117.583
where: short stacking energy: -509.237
Base-Backbone interact. energy: -1.580
local terms energy: -528.219454
where:
bonds (distance) C4'-P energy: -92.880
bonds (distance) P-C4' energy: -97.120
flat angles C4'-P-C4' energy: -116.320
flat angles P-C4'-P energy: -78.401
tors. eta vs tors. theta energy: -143.499
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: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1532.132913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.132913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.132913 (E_RNA)
where:
Base-Base interactions energy: -1040.260
where: short stacking energy: -450.405
Base-Backbone interact. energy: -2.644
local terms energy: -489.229099
where:
bonds (distance) C4'-P energy: -89.695
bonds (distance) P-C4' energy: -90.155
flat angles C4'-P-C4' energy: -110.719
flat angles P-C4'-P energy: -67.565
tors. eta vs tors. theta energy: -131.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1196.249899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.249899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.249899 (E_RNA)
where:
Base-Base interactions energy: -787.396
where: short stacking energy: -326.461
Base-Backbone interact. energy: 2.343
local terms energy: -411.197056
where:
bonds (distance) C4'-P energy: -99.441
bonds (distance) P-C4' energy: -88.423
flat angles C4'-P-C4' energy: -98.626
flat angles P-C4'-P energy: -62.720
tors. eta vs tors. theta energy: -61.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1185.126589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.126589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.126589 (E_RNA)
where:
Base-Base interactions energy: -743.483
where: short stacking energy: -332.785
Base-Backbone interact. energy: 2.115
local terms energy: -443.757851
where:
bonds (distance) C4'-P energy: -104.593
bonds (distance) P-C4' energy: -108.051
flat angles C4'-P-C4' energy: -99.667
flat angles P-C4'-P energy: -59.649
tors. eta vs tors. theta energy: -71.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -627.551371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.551371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.551371 (E_RNA)
where:
Base-Base interactions energy: -327.081
where: short stacking energy: -191.130
Base-Backbone interact. energy: 0.246
local terms energy: -300.716423
where:
bonds (distance) C4'-P energy: -79.739
bonds (distance) P-C4' energy: -73.704
flat angles C4'-P-C4' energy: -92.102
flat angles P-C4'-P energy: -52.068
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -462.632832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.632832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.632832 (E_RNA)
where:
Base-Base interactions energy: -169.945
where: short stacking energy: -135.096
Base-Backbone interact. energy: -3.614
local terms energy: -289.073927
where:
bonds (distance) C4'-P energy: -89.563
bonds (distance) P-C4' energy: -97.200
flat angles C4'-P-C4' energy: -79.758
flat angles P-C4'-P energy: -28.138
tors. eta vs tors. theta energy: 5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2009.398005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.398005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.398005 (E_RNA)
where:
Base-Base interactions energy: -1384.696
where: short stacking energy: -600.219
Base-Backbone interact. energy: -0.051
local terms energy: -624.650407
where:
bonds (distance) C4'-P energy: -111.235
bonds (distance) P-C4' energy: -121.539
flat angles C4'-P-C4' energy: -125.385
flat angles P-C4'-P energy: -87.160
tors. eta vs tors. theta energy: -179.332
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: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1968.955951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.955951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.955951 (E_RNA)
where:
Base-Base interactions energy: -1396.533
where: short stacking energy: -573.697
Base-Backbone interact. energy: -1.179
local terms energy: -571.244348
where:
bonds (distance) C4'-P energy: -113.492
bonds (distance) P-C4' energy: -95.078
flat angles C4'-P-C4' energy: -126.979
flat angles P-C4'-P energy: -73.716
tors. eta vs tors. theta energy: -161.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1827.427156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.427156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.427156 (E_RNA)
where:
Base-Base interactions energy: -1267.661
where: short stacking energy: -520.177
Base-Backbone interact. energy: -2.240
local terms energy: -557.526211
where:
bonds (distance) C4'-P energy: -106.033
bonds (distance) P-C4' energy: -103.999
flat angles C4'-P-C4' energy: -128.078
flat angles P-C4'-P energy: -89.917
tors. eta vs tors. theta energy: -129.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1745.259025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.259025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.259025 (E_RNA)
where:
Base-Base interactions energy: -1176.145
where: short stacking energy: -495.232
Base-Backbone interact. energy: -0.727
local terms energy: -568.387846
where:
bonds (distance) C4'-P energy: -108.904
bonds (distance) P-C4' energy: -121.317
flat angles C4'-P-C4' energy: -121.110
flat angles P-C4'-P energy: -81.568
tors. eta vs tors. theta energy: -135.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1624.644227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.644227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.644227 (E_RNA)
where:
Base-Base interactions energy: -1101.516
where: short stacking energy: -490.452
Base-Backbone interact. energy: -0.036
local terms energy: -523.092687
where:
bonds (distance) C4'-P energy: -94.669
bonds (distance) P-C4' energy: -99.214
flat angles C4'-P-C4' energy: -112.592
flat angles P-C4'-P energy: -85.812
tors. eta vs tors. theta energy: -130.805
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: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1497.590023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.590023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.590023 (E_RNA)
where:
Base-Base interactions energy: -1009.575
where: short stacking energy: -444.560
Base-Backbone interact. energy: -1.733
local terms energy: -486.282079
where:
bonds (distance) C4'-P energy: -80.348
bonds (distance) P-C4' energy: -107.933
flat angles C4'-P-C4' energy: -107.442
flat angles P-C4'-P energy: -70.852
tors. eta vs tors. theta energy: -119.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1284.116092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.116092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.116092 (E_RNA)
where:
Base-Base interactions energy: -808.872
where: short stacking energy: -363.312
Base-Backbone interact. energy: -3.203
local terms energy: -472.041185
where:
bonds (distance) C4'-P energy: -105.901
bonds (distance) P-C4' energy: -103.869
flat angles C4'-P-C4' energy: -104.706
flat angles P-C4'-P energy: -71.761
tors. eta vs tors. theta energy: -85.805
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: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1177.034818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.034818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.034818 (E_RNA)
where:
Base-Base interactions energy: -737.945
where: short stacking energy: -328.568
Base-Backbone interact. energy: 1.430
local terms energy: -440.519967
where:
bonds (distance) C4'-P energy: -108.251
bonds (distance) P-C4' energy: -96.549
flat angles C4'-P-C4' energy: -111.908
flat angles P-C4'-P energy: -62.687
tors. eta vs tors. theta energy: -61.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -692.265267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.265267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.265267 (E_RNA)
where:
Base-Base interactions energy: -336.937
where: short stacking energy: -184.116
Base-Backbone interact. energy: 1.503
local terms energy: -356.831718
where:
bonds (distance) C4'-P energy: -109.540
bonds (distance) P-C4' energy: -102.439
flat angles C4'-P-C4' energy: -71.404
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -16.114
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: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -546.164446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.164446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.164446 (E_RNA)
where:
Base-Base interactions energy: -211.460
where: short stacking energy: -143.684
Base-Backbone interact. energy: 1.807
local terms energy: -336.511427
where:
bonds (distance) C4'-P energy: -103.660
bonds (distance) P-C4' energy: -97.245
flat angles C4'-P-C4' energy: -82.531
flat angles P-C4'-P energy: -57.201
tors. eta vs tors. theta energy: 4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2005.252965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.252965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.252965 (E_RNA)
where:
Base-Base interactions energy: -1359.766
where: short stacking energy: -570.285
Base-Backbone interact. energy: -2.380
local terms energy: -643.106879
where:
bonds (distance) C4'-P energy: -123.377
bonds (distance) P-C4' energy: -124.901
flat angles C4'-P-C4' energy: -131.361
flat angles P-C4'-P energy: -81.848
tors. eta vs tors. theta energy: -181.620
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: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1975.057800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.057800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.057800 (E_RNA)
where:
Base-Base interactions energy: -1375.353
where: short stacking energy: -551.309
Base-Backbone interact. energy: -2.552
local terms energy: -597.152626
where:
bonds (distance) C4'-P energy: -117.385
bonds (distance) P-C4' energy: -115.882
flat angles C4'-P-C4' energy: -120.993
flat angles P-C4'-P energy: -78.048
tors. eta vs tors. theta energy: -164.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1849.146059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.146059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.146059 (E_RNA)
where:
Base-Base interactions energy: -1290.152
where: short stacking energy: -517.107
Base-Backbone interact. energy: 1.769
local terms energy: -560.763460
where:
bonds (distance) C4'-P energy: -119.865
bonds (distance) P-C4' energy: -112.002
flat angles C4'-P-C4' energy: -118.197
flat angles P-C4'-P energy: -73.544
tors. eta vs tors. theta energy: -137.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1749.509295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.509295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.509295 (E_RNA)
where:
Base-Base interactions energy: -1204.452
where: short stacking energy: -511.957
Base-Backbone interact. energy: 0.113
local terms energy: -545.170637
where:
bonds (distance) C4'-P energy: -97.392
bonds (distance) P-C4' energy: -101.749
flat angles C4'-P-C4' energy: -112.704
flat angles P-C4'-P energy: -76.272
tors. eta vs tors. theta energy: -157.054
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: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1582.540009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.540009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.540009 (E_RNA)
where:
Base-Base interactions energy: -1054.368
where: short stacking energy: -451.702
Base-Backbone interact. energy: -3.483
local terms energy: -524.689533
where:
bonds (distance) C4'-P energy: -99.079
bonds (distance) P-C4' energy: -107.222
flat angles C4'-P-C4' energy: -109.289
flat angles P-C4'-P energy: -71.655
tors. eta vs tors. theta energy: -137.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1475.936055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.936055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.936055 (E_RNA)
where:
Base-Base interactions energy: -986.014
where: short stacking energy: -447.988
Base-Backbone interact. energy: -2.538
local terms energy: -487.384335
where:
bonds (distance) C4'-P energy: -90.361
bonds (distance) P-C4' energy: -104.285
flat angles C4'-P-C4' energy: -107.074
flat angles P-C4'-P energy: -70.611
tors. eta vs tors. theta energy: -115.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1321.415305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.415305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.415305 (E_RNA)
where:
Base-Base interactions energy: -853.427
where: short stacking energy: -375.591
Base-Backbone interact. energy: -2.590
local terms energy: -465.398181
where:
bonds (distance) C4'-P energy: -88.337
bonds (distance) P-C4' energy: -109.354
flat angles C4'-P-C4' energy: -122.740
flat angles P-C4'-P energy: -64.124
tors. eta vs tors. theta energy: -80.843
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: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1123.749040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.749040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.749040 (E_RNA)
where:
Base-Base interactions energy: -707.388
where: short stacking energy: -305.773
Base-Backbone interact. energy: 1.351
local terms energy: -417.711936
where:
bonds (distance) C4'-P energy: -92.858
bonds (distance) P-C4' energy: -101.676
flat angles C4'-P-C4' energy: -111.870
flat angles P-C4'-P energy: -52.314
tors. eta vs tors. theta energy: -58.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -730.952197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.952197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.952197 (E_RNA)
where:
Base-Base interactions energy: -394.824
where: short stacking energy: -221.826
Base-Backbone interact. energy: -2.053
local terms energy: -334.074975
where:
bonds (distance) C4'-P energy: -82.130
bonds (distance) P-C4' energy: -107.367
flat angles C4'-P-C4' energy: -74.880
flat angles P-C4'-P energy: -52.156
tors. eta vs tors. theta energy: -17.542
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: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -523.695514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.695514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.695514 (E_RNA)
where:
Base-Base interactions energy: -241.694
where: short stacking energy: -138.213
Base-Backbone interact. energy: 1.576
local terms energy: -283.577193
where:
bonds (distance) C4'-P energy: -91.888
bonds (distance) P-C4' energy: -98.302
flat angles C4'-P-C4' energy: -89.962
flat angles P-C4'-P energy: -35.548
tors. eta vs tors. theta energy: 32.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2011.106553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.106553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.106553 (E_RNA)
where:
Base-Base interactions energy: -1368.944
where: short stacking energy: -588.702
Base-Backbone interact. energy: -2.837
local terms energy: -639.325528
where:
bonds (distance) C4'-P energy: -123.567
bonds (distance) P-C4' energy: -122.162
flat angles C4'-P-C4' energy: -126.974
flat angles P-C4'-P energy: -93.301
tors. eta vs tors. theta energy: -173.323
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: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1964.682489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.682489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.682489 (E_RNA)
where:
Base-Base interactions energy: -1359.142
where: short stacking energy: -565.617
Base-Backbone interact. energy: -0.899
local terms energy: -604.641117
where:
bonds (distance) C4'-P energy: -116.624
bonds (distance) P-C4' energy: -100.478
flat angles C4'-P-C4' energy: -135.389
flat angles P-C4'-P energy: -80.667
tors. eta vs tors. theta energy: -171.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1846.178267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.178267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.178267 (E_RNA)
where:
Base-Base interactions energy: -1285.363
where: short stacking energy: -535.826
Base-Backbone interact. energy: -3.298
local terms energy: -557.518111
where:
bonds (distance) C4'-P energy: -102.315
bonds (distance) P-C4' energy: -100.915
flat angles C4'-P-C4' energy: -128.684
flat angles P-C4'-P energy: -74.689
tors. eta vs tors. theta energy: -150.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1793.561611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.561611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.561611 (E_RNA)
where:
Base-Base interactions energy: -1216.140
where: short stacking energy: -522.836
Base-Backbone interact. energy: -2.076
local terms energy: -575.345926
where:
bonds (distance) C4'-P energy: -115.192
bonds (distance) P-C4' energy: -109.702
flat angles C4'-P-C4' energy: -111.942
flat angles P-C4'-P energy: -80.998
tors. eta vs tors. theta energy: -157.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1605.548085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.548085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.548085 (E_RNA)
where:
Base-Base interactions energy: -1069.590
where: short stacking energy: -442.955
Base-Backbone interact. energy: 1.080
local terms energy: -537.038720
where:
bonds (distance) C4'-P energy: -98.262
bonds (distance) P-C4' energy: -113.300
flat angles C4'-P-C4' energy: -121.600
flat angles P-C4'-P energy: -77.922
tors. eta vs tors. theta energy: -125.956
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: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1482.425581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.425581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.425581 (E_RNA)
where:
Base-Base interactions energy: -964.782
where: short stacking energy: -441.154
Base-Backbone interact. energy: -3.760
local terms energy: -513.883427
where:
bonds (distance) C4'-P energy: -99.340
bonds (distance) P-C4' energy: -107.974
flat angles C4'-P-C4' energy: -114.443
flat angles P-C4'-P energy: -80.489
tors. eta vs tors. theta energy: -111.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1258.218017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.218017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.218017 (E_RNA)
where:
Base-Base interactions energy: -824.289
where: short stacking energy: -372.392
Base-Backbone interact. energy: 1.211
local terms energy: -435.139788
where:
bonds (distance) C4'-P energy: -82.865
bonds (distance) P-C4' energy: -92.182
flat angles C4'-P-C4' energy: -120.905
flat angles P-C4'-P energy: -57.404
tors. eta vs tors. theta energy: -81.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1119.384723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.384723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.384723 (E_RNA)
where:
Base-Base interactions energy: -694.245
where: short stacking energy: -298.097
Base-Backbone interact. energy: -0.227
local terms energy: -424.913137
where:
bonds (distance) C4'-P energy: -98.753
bonds (distance) P-C4' energy: -96.952
flat angles C4'-P-C4' energy: -101.714
flat angles P-C4'-P energy: -52.312
tors. eta vs tors. theta energy: -75.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -727.431185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.431185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.431185 (E_RNA)
where:
Base-Base interactions energy: -398.478
where: short stacking energy: -206.990
Base-Backbone interact. energy: -2.398
local terms energy: -326.555304
where:
bonds (distance) C4'-P energy: -72.226
bonds (distance) P-C4' energy: -99.630
flat angles C4'-P-C4' energy: -89.118
flat angles P-C4'-P energy: -52.830
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -476.375978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.375978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.375978 (E_RNA)
where:
Base-Base interactions energy: -183.725
where: short stacking energy: -121.259
Base-Backbone interact. energy: 2.502
local terms energy: -295.152624
where:
bonds (distance) C4'-P energy: -100.349
bonds (distance) P-C4' energy: -95.347
flat angles C4'-P-C4' energy: -66.442
flat angles P-C4'-P energy: -44.407
tors. eta vs tors. theta energy: 11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1998.622242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.622242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.622242 (E_RNA)
where:
Base-Base interactions energy: -1366.456
where: short stacking energy: -598.094
Base-Backbone interact. energy: -1.950
local terms energy: -630.216333
where:
bonds (distance) C4'-P energy: -116.937
bonds (distance) P-C4' energy: -126.697
flat angles C4'-P-C4' energy: -134.626
flat angles P-C4'-P energy: -76.442
tors. eta vs tors. theta energy: -175.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1954.427519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.427519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.427519 (E_RNA)
where:
Base-Base interactions energy: -1335.343
where: short stacking energy: -565.345
Base-Backbone interact. energy: -2.460
local terms energy: -616.624748
where:
bonds (distance) C4'-P energy: -109.056
bonds (distance) P-C4' energy: -116.618
flat angles C4'-P-C4' energy: -134.910
flat angles P-C4'-P energy: -86.756
tors. eta vs tors. theta energy: -169.284
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: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1841.217920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.217920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.217920 (E_RNA)
where:
Base-Base interactions energy: -1290.916
where: short stacking energy: -511.979
Base-Backbone interact. energy: -2.164
local terms energy: -548.138591
where:
bonds (distance) C4'-P energy: -107.139
bonds (distance) P-C4' energy: -104.474
flat angles C4'-P-C4' energy: -114.971
flat angles P-C4'-P energy: -84.382
tors. eta vs tors. theta energy: -137.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1730.064973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.064973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.064973 (E_RNA)
where:
Base-Base interactions energy: -1168.465
where: short stacking energy: -502.481
Base-Backbone interact. energy: -1.969
local terms energy: -559.631520
where:
bonds (distance) C4'-P energy: -110.118
bonds (distance) P-C4' energy: -117.985
flat angles C4'-P-C4' energy: -105.879
flat angles P-C4'-P energy: -81.453
tors. eta vs tors. theta energy: -144.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1617.332777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.332777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.332777 (E_RNA)
where:
Base-Base interactions energy: -1062.863
where: short stacking energy: -471.847
Base-Backbone interact. energy: -4.837
local terms energy: -549.633151
where:
bonds (distance) C4'-P energy: -88.376
bonds (distance) P-C4' energy: -114.146
flat angles C4'-P-C4' energy: -116.867
flat angles P-C4'-P energy: -88.611
tors. eta vs tors. theta energy: -141.633
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: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1424.316310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.316310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.316310 (E_RNA)
where:
Base-Base interactions energy: -929.675
where: short stacking energy: -413.305
Base-Backbone interact. energy: 0.711
local terms energy: -495.353133
where:
bonds (distance) C4'-P energy: -93.390
bonds (distance) P-C4' energy: -108.955
flat angles C4'-P-C4' energy: -124.327
flat angles P-C4'-P energy: -67.178
tors. eta vs tors. theta energy: -101.504
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: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1284.182718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.182718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.182718 (E_RNA)
where:
Base-Base interactions energy: -834.988
where: short stacking energy: -368.287
Base-Backbone interact. energy: -1.250
local terms energy: -447.944968
where:
bonds (distance) C4'-P energy: -100.846
bonds (distance) P-C4' energy: -103.413
flat angles C4'-P-C4' energy: -95.337
flat angles P-C4'-P energy: -65.400
tors. eta vs tors. theta energy: -82.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1093.490843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.490843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.490843 (E_RNA)
where:
Base-Base interactions energy: -661.220
where: short stacking energy: -312.332
Base-Backbone interact. energy: -2.953
local terms energy: -429.317854
where:
bonds (distance) C4'-P energy: -99.139
bonds (distance) P-C4' energy: -109.297
flat angles C4'-P-C4' energy: -104.799
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -67.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -782.730670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.730670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.730670 (E_RNA)
where:
Base-Base interactions energy: -454.002
where: short stacking energy: -237.753
Base-Backbone interact. energy: -2.770
local terms energy: -325.958563
where:
bonds (distance) C4'-P energy: -93.383
bonds (distance) P-C4' energy: -98.085
flat angles C4'-P-C4' energy: -79.630
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -442.794412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.794412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.794412 (E_RNA)
where:
Base-Base interactions energy: -163.354
where: short stacking energy: -129.442
Base-Backbone interact. energy: 2.108
local terms energy: -281.548005
where:
bonds (distance) C4'-P energy: -104.927
bonds (distance) P-C4' energy: -83.743
flat angles C4'-P-C4' energy: -65.745
flat angles P-C4'-P energy: -47.907
tors. eta vs tors. theta energy: 20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1990.950867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.950867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.950867 (E_RNA)
where:
Base-Base interactions energy: -1363.127
where: short stacking energy: -571.422
Base-Backbone interact. energy: -0.370
local terms energy: -627.453485
where:
bonds (distance) C4'-P energy: -112.673
bonds (distance) P-C4' energy: -120.855
flat angles C4'-P-C4' energy: -137.327
flat angles P-C4'-P energy: -90.678
tors. eta vs tors. theta energy: -165.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1955.035516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.035516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.035516 (E_RNA)
where:
Base-Base interactions energy: -1342.555
where: short stacking energy: -556.516
Base-Backbone interact. energy: -1.470
local terms energy: -611.010944
where:
bonds (distance) C4'-P energy: -122.222
bonds (distance) P-C4' energy: -120.753
flat angles C4'-P-C4' energy: -134.206
flat angles P-C4'-P energy: -79.472
tors. eta vs tors. theta energy: -154.358
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: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1851.993612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.993612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.993612 (E_RNA)
where:
Base-Base interactions energy: -1291.173
where: short stacking energy: -527.145
Base-Backbone interact. energy: -2.510
local terms energy: -558.309686
where:
bonds (distance) C4'-P energy: -98.618
bonds (distance) P-C4' energy: -114.051
flat angles C4'-P-C4' energy: -126.151
flat angles P-C4'-P energy: -81.287
tors. eta vs tors. theta energy: -138.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1715.381639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.381639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.381639 (E_RNA)
where:
Base-Base interactions energy: -1149.666
where: short stacking energy: -511.563
Base-Backbone interact. energy: -2.879
local terms energy: -562.835902
where:
bonds (distance) C4'-P energy: -92.401
bonds (distance) P-C4' energy: -103.329
flat angles C4'-P-C4' energy: -132.390
flat angles P-C4'-P energy: -91.208
tors. eta vs tors. theta energy: -143.508
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: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1631.831030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.831030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.831030 (E_RNA)
where:
Base-Base interactions energy: -1069.999
where: short stacking energy: -456.738
Base-Backbone interact. energy: -0.903
local terms energy: -560.928979
where:
bonds (distance) C4'-P energy: -104.379
bonds (distance) P-C4' energy: -133.638
flat angles C4'-P-C4' energy: -115.748
flat angles P-C4'-P energy: -63.415
tors. eta vs tors. theta energy: -143.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1433.263284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.263284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.263284 (E_RNA)
where:
Base-Base interactions energy: -933.333
where: short stacking energy: -410.648
Base-Backbone interact. energy: 0.399
local terms energy: -500.329557
where:
bonds (distance) C4'-P energy: -98.960
bonds (distance) P-C4' energy: -112.169
flat angles C4'-P-C4' energy: -100.429
flat angles P-C4'-P energy: -76.021
tors. eta vs tors. theta energy: -112.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1238.104595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.104595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.104595 (E_RNA)
where:
Base-Base interactions energy: -831.626
where: short stacking energy: -358.189
Base-Backbone interact. energy: 5.101
local terms energy: -411.580079
where:
bonds (distance) C4'-P energy: -105.206
bonds (distance) P-C4' energy: -88.866
flat angles C4'-P-C4' energy: -97.430
flat angles P-C4'-P energy: -52.927
tors. eta vs tors. theta energy: -67.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1093.296292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.296292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.296292 (E_RNA)
where:
Base-Base interactions energy: -640.101
where: short stacking energy: -296.786
Base-Backbone interact. energy: -5.385
local terms energy: -447.809845
where:
bonds (distance) C4'-P energy: -95.102
bonds (distance) P-C4' energy: -110.446
flat angles C4'-P-C4' energy: -108.296
flat angles P-C4'-P energy: -76.843
tors. eta vs tors. theta energy: -57.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -775.865242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.865242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.865242 (E_RNA)
where:
Base-Base interactions energy: -399.341
where: short stacking energy: -229.847
Base-Backbone interact. energy: -2.169
local terms energy: -374.355367
where:
bonds (distance) C4'-P energy: -102.237
bonds (distance) P-C4' energy: -101.649
flat angles C4'-P-C4' energy: -87.591
flat angles P-C4'-P energy: -57.160
tors. eta vs tors. theta energy: -25.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -468.294347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.294347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.294347 (E_RNA)
where:
Base-Base interactions energy: -172.185
where: short stacking energy: -114.944
Base-Backbone interact. energy: -3.603
local terms energy: -292.505614
where:
bonds (distance) C4'-P energy: -89.757
bonds (distance) P-C4' energy: -105.885
flat angles C4'-P-C4' energy: -92.528
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: 39.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2001.248371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.248371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.248371 (E_RNA)
where:
Base-Base interactions energy: -1389.920
where: short stacking energy: -609.176
Base-Backbone interact. energy: -0.796
local terms energy: -610.532699
where:
bonds (distance) C4'-P energy: -89.785
bonds (distance) P-C4' energy: -108.092
flat angles C4'-P-C4' energy: -134.409
flat angles P-C4'-P energy: -95.490
tors. eta vs tors. theta energy: -182.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1947.488079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.488079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.488079 (E_RNA)
where:
Base-Base interactions energy: -1346.035
where: short stacking energy: -541.542
Base-Backbone interact. energy: -2.664
local terms energy: -598.788418
where:
bonds (distance) C4'-P energy: -111.599
bonds (distance) P-C4' energy: -121.155
flat angles C4'-P-C4' energy: -127.789
flat angles P-C4'-P energy: -87.323
tors. eta vs tors. theta energy: -150.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1880.970426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.970426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.970426 (E_RNA)
where:
Base-Base interactions energy: -1312.262
where: short stacking energy: -533.157
Base-Backbone interact. energy: 3.133
local terms energy: -571.841710
where:
bonds (distance) C4'-P energy: -98.934
bonds (distance) P-C4' energy: -123.588
flat angles C4'-P-C4' energy: -117.762
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -141.149
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: 4, replica: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1726.221326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.221326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.221326 (E_RNA)
where:
Base-Base interactions energy: -1156.129
where: short stacking energy: -507.608
Base-Backbone interact. energy: -0.119
local terms energy: -569.973383
where:
bonds (distance) C4'-P energy: -103.950
bonds (distance) P-C4' energy: -126.232
flat angles C4'-P-C4' energy: -116.465
flat angles P-C4'-P energy: -73.308
tors. eta vs tors. theta energy: -150.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1636.193772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.193772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.193772 (E_RNA)
where:
Base-Base interactions energy: -1087.476
where: short stacking energy: -485.667
Base-Backbone interact. energy: 1.627
local terms energy: -550.344957
where:
bonds (distance) C4'-P energy: -99.598
bonds (distance) P-C4' energy: -103.986
flat angles C4'-P-C4' energy: -122.081
flat angles P-C4'-P energy: -84.550
tors. eta vs tors. theta energy: -140.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1454.532149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.532149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.532149 (E_RNA)
where:
Base-Base interactions energy: -913.850
where: short stacking energy: -421.242
Base-Backbone interact. energy: -4.333
local terms energy: -536.349501
where:
bonds (distance) C4'-P energy: -110.860
bonds (distance) P-C4' energy: -114.532
flat angles C4'-P-C4' energy: -111.136
flat angles P-C4'-P energy: -78.886
tors. eta vs tors. theta energy: -120.936
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: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1228.821056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.821056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.821056 (E_RNA)
where:
Base-Base interactions energy: -794.335
where: short stacking energy: -351.404
Base-Backbone interact. energy: 2.153
local terms energy: -436.638936
where:
bonds (distance) C4'-P energy: -106.998
bonds (distance) P-C4' energy: -83.109
flat angles C4'-P-C4' energy: -105.906
flat angles P-C4'-P energy: -71.004
tors. eta vs tors. theta energy: -69.622
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: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1084.645970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.645970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.645970 (E_RNA)
where:
Base-Base interactions energy: -664.865
where: short stacking energy: -318.120
Base-Backbone interact. energy: -1.542
local terms energy: -418.238074
where:
bonds (distance) C4'-P energy: -94.007
bonds (distance) P-C4' energy: -99.475
flat angles C4'-P-C4' energy: -97.820
flat angles P-C4'-P energy: -64.247
tors. eta vs tors. theta energy: -62.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -766.109315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.109315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.109315 (E_RNA)
where:
Base-Base interactions energy: -423.985
where: short stacking energy: -235.893
Base-Backbone interact. energy: -1.367
local terms energy: -340.757666
where:
bonds (distance) C4'-P energy: -90.405
bonds (distance) P-C4' energy: -110.939
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -53.400
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -429.766417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.766417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.766417 (E_RNA)
where:
Base-Base interactions energy: -137.476
where: short stacking energy: -108.425
Base-Backbone interact. energy: 1.790
local terms energy: -294.080417
where:
bonds (distance) C4'-P energy: -89.350
bonds (distance) P-C4' energy: -97.838
flat angles C4'-P-C4' energy: -65.340
flat angles P-C4'-P energy: -69.348
tors. eta vs tors. theta energy: 27.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2013.140264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.140264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.140264 (E_RNA)
where:
Base-Base interactions energy: -1381.344
where: short stacking energy: -608.880
Base-Backbone interact. energy: 0.573
local terms energy: -632.369221
where:
bonds (distance) C4'-P energy: -112.605
bonds (distance) P-C4' energy: -121.049
flat angles C4'-P-C4' energy: -135.071
flat angles P-C4'-P energy: -84.857
tors. eta vs tors. theta energy: -178.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1968.556742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.556742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.556742 (E_RNA)
where:
Base-Base interactions energy: -1368.902
where: short stacking energy: -549.420
Base-Backbone interact. energy: -2.588
local terms energy: -597.067359
where:
bonds (distance) C4'-P energy: -117.997
bonds (distance) P-C4' energy: -111.749
flat angles C4'-P-C4' energy: -131.437
flat angles P-C4'-P energy: -77.058
tors. eta vs tors. theta energy: -158.826
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: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1838.240158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.240158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.240158 (E_RNA)
where:
Base-Base interactions energy: -1263.288
where: short stacking energy: -506.826
Base-Backbone interact. energy: 0.863
local terms energy: -575.815759
where:
bonds (distance) C4'-P energy: -112.873
bonds (distance) P-C4' energy: -120.275
flat angles C4'-P-C4' energy: -126.967
flat angles P-C4'-P energy: -82.782
tors. eta vs tors. theta energy: -132.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1740.054989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.054989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.054989 (E_RNA)
where:
Base-Base interactions energy: -1191.400
where: short stacking energy: -493.137
Base-Backbone interact. energy: -2.224
local terms energy: -546.430768
where:
bonds (distance) C4'-P energy: -111.265
bonds (distance) P-C4' energy: -106.957
flat angles C4'-P-C4' energy: -114.133
flat angles P-C4'-P energy: -73.870
tors. eta vs tors. theta energy: -140.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1617.883737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.883737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.883737 (E_RNA)
where:
Base-Base interactions energy: -1089.368
where: short stacking energy: -475.258
Base-Backbone interact. energy: -0.879
local terms energy: -527.637373
where:
bonds (distance) C4'-P energy: -109.652
bonds (distance) P-C4' energy: -114.390
flat angles C4'-P-C4' energy: -113.815
flat angles P-C4'-P energy: -68.099
tors. eta vs tors. theta energy: -121.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1521.663115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.663115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.663115 (E_RNA)
where:
Base-Base interactions energy: -1025.659
where: short stacking energy: -458.077
Base-Backbone interact. energy: -2.513
local terms energy: -493.491459
where:
bonds (distance) C4'-P energy: -104.016
bonds (distance) P-C4' energy: -80.842
flat angles C4'-P-C4' energy: -120.637
flat angles P-C4'-P energy: -62.494
tors. eta vs tors. theta energy: -125.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1132.957851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.957851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.957851 (E_RNA)
where:
Base-Base interactions energy: -700.183
where: short stacking energy: -308.294
Base-Backbone interact. energy: -1.431
local terms energy: -431.344460
where:
bonds (distance) C4'-P energy: -98.895
bonds (distance) P-C4' energy: -112.792
flat angles C4'-P-C4' energy: -99.471
flat angles P-C4'-P energy: -64.983
tors. eta vs tors. theta energy: -55.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1080.439541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.439541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.439541 (E_RNA)
where:
Base-Base interactions energy: -664.915
where: short stacking energy: -297.869
Base-Backbone interact. energy: -2.244
local terms energy: -413.280147
where:
bonds (distance) C4'-P energy: -92.944
bonds (distance) P-C4' energy: -107.105
flat angles C4'-P-C4' energy: -87.352
flat angles P-C4'-P energy: -61.939
tors. eta vs tors. theta energy: -63.940
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: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -703.568082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.568082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.568082 (E_RNA)
where:
Base-Base interactions energy: -357.202
where: short stacking energy: -199.521
Base-Backbone interact. energy: -0.943
local terms energy: -345.423417
where:
bonds (distance) C4'-P energy: -104.555
bonds (distance) P-C4' energy: -104.369
flat angles C4'-P-C4' energy: -71.406
flat angles P-C4'-P energy: -68.213
tors. eta vs tors. theta energy: 3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -482.800192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.800192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.800192 (E_RNA)
where:
Base-Base interactions energy: -201.015
where: short stacking energy: -147.384
Base-Backbone interact. energy: -2.383
local terms energy: -279.402435
where:
bonds (distance) C4'-P energy: -85.472
bonds (distance) P-C4' energy: -107.786
flat angles C4'-P-C4' energy: -79.224
flat angles P-C4'-P energy: -39.991
tors. eta vs tors. theta energy: 33.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2011.387663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.387663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.387663 (E_RNA)
where:
Base-Base interactions energy: -1359.912
where: short stacking energy: -604.729
Base-Backbone interact. energy: -1.345
local terms energy: -650.130666
where:
bonds (distance) C4'-P energy: -124.695
bonds (distance) P-C4' energy: -125.753
flat angles C4'-P-C4' energy: -129.123
flat angles P-C4'-P energy: -92.390
tors. eta vs tors. theta energy: -178.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1945.882684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.882684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.882684 (E_RNA)
where:
Base-Base interactions energy: -1331.313
where: short stacking energy: -566.852
Base-Backbone interact. energy: -1.837
local terms energy: -612.732682
where:
bonds (distance) C4'-P energy: -112.923
bonds (distance) P-C4' energy: -111.232
flat angles C4'-P-C4' energy: -131.387
flat angles P-C4'-P energy: -88.852
tors. eta vs tors. theta energy: -168.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1787.707715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.707715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.707715 (E_RNA)
where:
Base-Base interactions energy: -1227.030
where: short stacking energy: -505.581
Base-Backbone interact. energy: -2.522
local terms energy: -558.156201
where:
bonds (distance) C4'-P energy: -126.001
bonds (distance) P-C4' energy: -120.758
flat angles C4'-P-C4' energy: -101.366
flat angles P-C4'-P energy: -80.737
tors. eta vs tors. theta energy: -129.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1790.012656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.012656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.012656 (E_RNA)
where:
Base-Base interactions energy: -1216.063
where: short stacking energy: -490.110
Base-Backbone interact. energy: 1.043
local terms energy: -574.992606
where:
bonds (distance) C4'-P energy: -107.776
bonds (distance) P-C4' energy: -115.295
flat angles C4'-P-C4' energy: -124.427
flat angles P-C4'-P energy: -87.205
tors. eta vs tors. theta energy: -140.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1596.083466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.083466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.083466 (E_RNA)
where:
Base-Base interactions energy: -1070.749
where: short stacking energy: -463.912
Base-Backbone interact. energy: -1.120
local terms energy: -524.213859
where:
bonds (distance) C4'-P energy: -109.035
bonds (distance) P-C4' energy: -96.627
flat angles C4'-P-C4' energy: -111.194
flat angles P-C4'-P energy: -79.263
tors. eta vs tors. theta energy: -128.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1506.406920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.406920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.406920 (E_RNA)
where:
Base-Base interactions energy: -1007.570
where: short stacking energy: -424.429
Base-Backbone interact. energy: -3.041
local terms energy: -495.795991
where:
bonds (distance) C4'-P energy: -89.549
bonds (distance) P-C4' energy: -101.009
flat angles C4'-P-C4' energy: -106.510
flat angles P-C4'-P energy: -78.027
tors. eta vs tors. theta energy: -120.701
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: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1133.037678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.037678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.037678 (E_RNA)
where:
Base-Base interactions energy: -723.708
where: short stacking energy: -308.887
Base-Backbone interact. energy: 1.651
local terms energy: -410.981372
where:
bonds (distance) C4'-P energy: -89.442
bonds (distance) P-C4' energy: -108.267
flat angles C4'-P-C4' energy: -111.777
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1038.729611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.729611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.729611 (E_RNA)
where:
Base-Base interactions energy: -610.290
where: short stacking energy: -308.888
Base-Backbone interact. energy: 4.098
local terms energy: -432.537982
where:
bonds (distance) C4'-P energy: -89.132
bonds (distance) P-C4' energy: -92.947
flat angles C4'-P-C4' energy: -102.855
flat angles P-C4'-P energy: -76.176
tors. eta vs tors. theta energy: -71.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -765.418940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.418940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.418940 (E_RNA)
where:
Base-Base interactions energy: -412.040
where: short stacking energy: -216.802
Base-Backbone interact. energy: -3.477
local terms energy: -349.902421
where:
bonds (distance) C4'-P energy: -91.362
bonds (distance) P-C4' energy: -105.120
flat angles C4'-P-C4' energy: -81.570
flat angles P-C4'-P energy: -61.325
tors. eta vs tors. theta energy: -10.526
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: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -444.164634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.164634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.164634 (E_RNA)
where:
Base-Base interactions energy: -187.566
where: short stacking energy: -146.515
Base-Backbone interact. energy: 9.338
local terms energy: -265.937276
where:
bonds (distance) C4'-P energy: -93.026
bonds (distance) P-C4' energy: -91.303
flat angles C4'-P-C4' energy: -47.076
flat angles P-C4'-P energy: -52.604
tors. eta vs tors. theta energy: 18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1997.463970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.463970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.463970 (E_RNA)
where:
Base-Base interactions energy: -1336.425
where: short stacking energy: -608.026
Base-Backbone interact. energy: -0.012
local terms energy: -661.027172
where:
bonds (distance) C4'-P energy: -138.753
bonds (distance) P-C4' energy: -125.465
flat angles C4'-P-C4' energy: -137.857
flat angles P-C4'-P energy: -86.275
tors. eta vs tors. theta energy: -172.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1976.215641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.215641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.215641 (E_RNA)
where:
Base-Base interactions energy: -1371.297
where: short stacking energy: -558.075
Base-Backbone interact. energy: -2.653
local terms energy: -602.265596
where:
bonds (distance) C4'-P energy: -111.438
bonds (distance) P-C4' energy: -114.118
flat angles C4'-P-C4' energy: -140.339
flat angles P-C4'-P energy: -83.745
tors. eta vs tors. theta energy: -152.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1837.720999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.720999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.720999 (E_RNA)
where:
Base-Base interactions energy: -1251.188
where: short stacking energy: -529.012
Base-Backbone interact. energy: -2.764
local terms energy: -583.768542
where:
bonds (distance) C4'-P energy: -108.383
bonds (distance) P-C4' energy: -124.874
flat angles C4'-P-C4' energy: -126.013
flat angles P-C4'-P energy: -81.542
tors. eta vs tors. theta energy: -142.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1763.471394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.471394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.471394 (E_RNA)
where:
Base-Base interactions energy: -1206.409
where: short stacking energy: -510.994
Base-Backbone interact. energy: -0.727
local terms energy: -556.335448
where:
bonds (distance) C4'-P energy: -98.361
bonds (distance) P-C4' energy: -117.466
flat angles C4'-P-C4' energy: -113.679
flat angles P-C4'-P energy: -83.532
tors. eta vs tors. theta energy: -143.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1586.065643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.065643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.065643 (E_RNA)
where:
Base-Base interactions energy: -1062.824
where: short stacking energy: -457.738
Base-Backbone interact. energy: -3.135
local terms energy: -520.106719
where:
bonds (distance) C4'-P energy: -95.381
bonds (distance) P-C4' energy: -96.314
flat angles C4'-P-C4' energy: -110.647
flat angles P-C4'-P energy: -89.472
tors. eta vs tors. theta energy: -128.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1460.369270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.369270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.369270 (E_RNA)
where:
Base-Base interactions energy: -968.315
where: short stacking energy: -396.977
Base-Backbone interact. energy: -3.082
local terms energy: -488.972051
where:
bonds (distance) C4'-P energy: -93.691
bonds (distance) P-C4' energy: -105.914
flat angles C4'-P-C4' energy: -111.372
flat angles P-C4'-P energy: -73.886
tors. eta vs tors. theta energy: -104.109
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: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1169.923688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.923688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.923688 (E_RNA)
where:
Base-Base interactions energy: -734.980
where: short stacking energy: -326.939
Base-Backbone interact. energy: 2.330
local terms energy: -437.273668
where:
bonds (distance) C4'-P energy: -102.522
bonds (distance) P-C4' energy: -97.713
flat angles C4'-P-C4' energy: -104.616
flat angles P-C4'-P energy: -66.907
tors. eta vs tors. theta energy: -65.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1074.690958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.690958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.690958 (E_RNA)
where:
Base-Base interactions energy: -671.854
where: short stacking energy: -326.067
Base-Backbone interact. energy: 3.636
local terms energy: -406.472936
where:
bonds (distance) C4'-P energy: -102.570
bonds (distance) P-C4' energy: -103.482
flat angles C4'-P-C4' energy: -81.102
flat angles P-C4'-P energy: -66.771
tors. eta vs tors. theta energy: -52.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -750.106515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.106515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.106515 (E_RNA)
where:
Base-Base interactions energy: -403.981
where: short stacking energy: -199.181
Base-Backbone interact. energy: 3.886
local terms energy: -350.012117
where:
bonds (distance) C4'-P energy: -102.842
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -99.422
flat angles P-C4'-P energy: -51.155
tors. eta vs tors. theta energy: -1.521
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: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -466.768227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.768227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.768227 (E_RNA)
where:
Base-Base interactions energy: -177.686
where: short stacking energy: -144.998
Base-Backbone interact. energy: -2.429
local terms energy: -286.653326
where:
bonds (distance) C4'-P energy: -78.623
bonds (distance) P-C4' energy: -90.690
flat angles C4'-P-C4' energy: -83.545
flat angles P-C4'-P energy: -45.928
tors. eta vs tors. theta energy: 12.133
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: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2022.249286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.249286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.249286 (E_RNA)
where:
Base-Base interactions energy: -1396.023
where: short stacking energy: -607.049
Base-Backbone interact. energy: -3.891
local terms energy: -622.335355
where:
bonds (distance) C4'-P energy: -115.280
bonds (distance) P-C4' energy: -116.087
flat angles C4'-P-C4' energy: -129.681
flat angles P-C4'-P energy: -79.864
tors. eta vs tors. theta energy: -181.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1972.584785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.584785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.584785 (E_RNA)
where:
Base-Base interactions energy: -1375.774
where: short stacking energy: -571.528
Base-Backbone interact. energy: -2.276
local terms energy: -594.535516
where:
bonds (distance) C4'-P energy: -104.477
bonds (distance) P-C4' energy: -122.006
flat angles C4'-P-C4' energy: -115.459
flat angles P-C4'-P energy: -87.747
tors. eta vs tors. theta energy: -164.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1808.209052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.209052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.209052 (E_RNA)
where:
Base-Base interactions energy: -1258.230
where: short stacking energy: -538.000
Base-Backbone interact. energy: -2.815
local terms energy: -547.164079
where:
bonds (distance) C4'-P energy: -99.198
bonds (distance) P-C4' energy: -109.612
flat angles C4'-P-C4' energy: -124.792
flat angles P-C4'-P energy: -68.562
tors. eta vs tors. theta energy: -145.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1747.651526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.651526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.651526 (E_RNA)
where:
Base-Base interactions energy: -1200.427
where: short stacking energy: -498.916
Base-Backbone interact. energy: -0.911
local terms energy: -546.313688
where:
bonds (distance) C4'-P energy: -98.427
bonds (distance) P-C4' energy: -110.062
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -83.586
tors. eta vs tors. theta energy: -136.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1620.084464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.084464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.084464 (E_RNA)
where:
Base-Base interactions energy: -1074.970
where: short stacking energy: -481.024
Base-Backbone interact. energy: -2.296
local terms energy: -542.817781
where:
bonds (distance) C4'-P energy: -95.960
bonds (distance) P-C4' energy: -111.128
flat angles C4'-P-C4' energy: -121.622
flat angles P-C4'-P energy: -80.828
tors. eta vs tors. theta energy: -133.280
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: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1473.290483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.290483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.290483 (E_RNA)
where:
Base-Base interactions energy: -995.150
where: short stacking energy: -416.346
Base-Backbone interact. energy: -0.144
local terms energy: -477.996731
where:
bonds (distance) C4'-P energy: -108.218
bonds (distance) P-C4' energy: -103.651
flat angles C4'-P-C4' energy: -103.789
flat angles P-C4'-P energy: -57.887
tors. eta vs tors. theta energy: -104.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1166.224469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.224469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.224469 (E_RNA)
where:
Base-Base interactions energy: -739.938
where: short stacking energy: -329.739
Base-Backbone interact. energy: 5.087
local terms energy: -431.374147
where:
bonds (distance) C4'-P energy: -71.927
bonds (distance) P-C4' energy: -109.055
flat angles C4'-P-C4' energy: -110.363
flat angles P-C4'-P energy: -68.307
tors. eta vs tors. theta energy: -71.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1028.461816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.461816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.461816 (E_RNA)
where:
Base-Base interactions energy: -620.943
where: short stacking energy: -279.425
Base-Backbone interact. energy: -0.833
local terms energy: -406.686204
where:
bonds (distance) C4'-P energy: -87.886
bonds (distance) P-C4' energy: -99.516
flat angles C4'-P-C4' energy: -88.557
flat angles P-C4'-P energy: -70.872
tors. eta vs tors. theta energy: -59.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -752.018731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.018731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.018731 (E_RNA)
where:
Base-Base interactions energy: -388.971
where: short stacking energy: -197.365
Base-Backbone interact. energy: -2.962
local terms energy: -360.085697
where:
bonds (distance) C4'-P energy: -101.185
bonds (distance) P-C4' energy: -97.940
flat angles C4'-P-C4' energy: -87.380
flat angles P-C4'-P energy: -69.101
tors. eta vs tors. theta energy: -4.479
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: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -422.786470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.786470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.786470 (E_RNA)
where:
Base-Base interactions energy: -136.905
where: short stacking energy: -109.214
Base-Backbone interact. energy: 1.561
local terms energy: -287.442110
where:
bonds (distance) C4'-P energy: -59.915
bonds (distance) P-C4' energy: -103.006
flat angles C4'-P-C4' energy: -95.877
flat angles P-C4'-P energy: -56.589
tors. eta vs tors. theta energy: 27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2007.167561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.167561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.167561 (E_RNA)
where:
Base-Base interactions energy: -1381.195
where: short stacking energy: -573.233
Base-Backbone interact. energy: -5.257
local terms energy: -620.715714
where:
bonds (distance) C4'-P energy: -105.281
bonds (distance) P-C4' energy: -128.554
flat angles C4'-P-C4' energy: -134.236
flat angles P-C4'-P energy: -83.184
tors. eta vs tors. theta energy: -169.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1984.903082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.903082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.903082 (E_RNA)
where:
Base-Base interactions energy: -1376.261
where: short stacking energy: -563.164
Base-Backbone interact. energy: -2.576
local terms energy: -606.066396
where:
bonds (distance) C4'-P energy: -109.830
bonds (distance) P-C4' energy: -125.935
flat angles C4'-P-C4' energy: -126.249
flat angles P-C4'-P energy: -70.443
tors. eta vs tors. theta energy: -173.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1864.400172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.400172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.400172 (E_RNA)
where:
Base-Base interactions energy: -1280.174
where: short stacking energy: -541.639
Base-Backbone interact. energy: -2.476
local terms energy: -581.749678
where:
bonds (distance) C4'-P energy: -111.044
bonds (distance) P-C4' energy: -126.635
flat angles C4'-P-C4' energy: -123.078
flat angles P-C4'-P energy: -79.689
tors. eta vs tors. theta energy: -141.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1742.736819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.736819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.736819 (E_RNA)
where:
Base-Base interactions energy: -1204.703
where: short stacking energy: -515.818
Base-Backbone interact. energy: 1.728
local terms energy: -539.761557
where:
bonds (distance) C4'-P energy: -89.963
bonds (distance) P-C4' energy: -103.596
flat angles C4'-P-C4' energy: -129.435
flat angles P-C4'-P energy: -72.228
tors. eta vs tors. theta energy: -144.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1584.274714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.274714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.274714 (E_RNA)
where:
Base-Base interactions energy: -1062.621
where: short stacking energy: -466.486
Base-Backbone interact. energy: 1.808
local terms energy: -523.461732
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -109.350
flat angles C4'-P-C4' energy: -130.126
flat angles P-C4'-P energy: -75.113
tors. eta vs tors. theta energy: -119.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1480.941570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.941570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.941570 (E_RNA)
where:
Base-Base interactions energy: -977.529
where: short stacking energy: -421.096
Base-Backbone interact. energy: -3.083
local terms energy: -500.329067
where:
bonds (distance) C4'-P energy: -93.831
bonds (distance) P-C4' energy: -114.052
flat angles C4'-P-C4' energy: -115.036
flat angles P-C4'-P energy: -69.179
tors. eta vs tors. theta energy: -108.231
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: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1223.169414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.169414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.169414 (E_RNA)
where:
Base-Base interactions energy: -785.845
where: short stacking energy: -335.509
Base-Backbone interact. energy: 4.841
local terms energy: -442.165789
where:
bonds (distance) C4'-P energy: -104.416
bonds (distance) P-C4' energy: -101.817
flat angles C4'-P-C4' energy: -103.340
flat angles P-C4'-P energy: -56.771
tors. eta vs tors. theta energy: -75.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1011.483841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.483841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.483841 (E_RNA)
where:
Base-Base interactions energy: -622.384
where: short stacking energy: -274.030
Base-Backbone interact. energy: 4.534
local terms energy: -393.633803
where:
bonds (distance) C4'-P energy: -108.742
bonds (distance) P-C4' energy: -106.896
flat angles C4'-P-C4' energy: -93.170
flat angles P-C4'-P energy: -45.186
tors. eta vs tors. theta energy: -39.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -743.604804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.604804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.604804 (E_RNA)
where:
Base-Base interactions energy: -374.224
where: short stacking energy: -198.738
Base-Backbone interact. energy: -2.326
local terms energy: -367.055371
where:
bonds (distance) C4'-P energy: -80.042
bonds (distance) P-C4' energy: -121.668
flat angles C4'-P-C4' energy: -82.612
flat angles P-C4'-P energy: -58.460
tors. eta vs tors. theta energy: -24.273
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: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -442.940315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.940315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.940315 (E_RNA)
where:
Base-Base interactions energy: -144.090
where: short stacking energy: -118.966
Base-Backbone interact. energy: 1.074
local terms energy: -299.924227
where:
bonds (distance) C4'-P energy: -103.048
bonds (distance) P-C4' energy: -112.883
flat angles C4'-P-C4' energy: -78.369
flat angles P-C4'-P energy: -42.045
tors. eta vs tors. theta energy: 36.422
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: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2023.040476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.040476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.040476 (E_RNA)
where:
Base-Base interactions energy: -1398.421
where: short stacking energy: -602.627
Base-Backbone interact. energy: -4.108
local terms energy: -620.510951
where:
bonds (distance) C4'-P energy: -101.708
bonds (distance) P-C4' energy: -121.513
flat angles C4'-P-C4' energy: -143.335
flat angles P-C4'-P energy: -80.295
tors. eta vs tors. theta energy: -173.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1905.802563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.802563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.802563 (E_RNA)
where:
Base-Base interactions energy: -1337.904
where: short stacking energy: -549.315
Base-Backbone interact. energy: -3.596
local terms energy: -564.303255
where:
bonds (distance) C4'-P energy: -88.424
bonds (distance) P-C4' energy: -126.062
flat angles C4'-P-C4' energy: -130.252
flat angles P-C4'-P energy: -85.003
tors. eta vs tors. theta energy: -134.562
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: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1887.052537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.052537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.052537 (E_RNA)
where:
Base-Base interactions energy: -1271.915
where: short stacking energy: -551.503
Base-Backbone interact. energy: -2.833
local terms energy: -612.304122
where:
bonds (distance) C4'-P energy: -111.339
bonds (distance) P-C4' energy: -122.849
flat angles C4'-P-C4' energy: -122.562
flat angles P-C4'-P energy: -90.104
tors. eta vs tors. theta energy: -165.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1726.725292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.725292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.725292 (E_RNA)
where:
Base-Base interactions energy: -1180.666
where: short stacking energy: -497.249
Base-Backbone interact. energy: 3.270
local terms energy: -549.329248
where:
bonds (distance) C4'-P energy: -95.267
bonds (distance) P-C4' energy: -123.482
flat angles C4'-P-C4' energy: -112.084
flat angles P-C4'-P energy: -79.658
tors. eta vs tors. theta energy: -138.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1582.985793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.985793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.985793 (E_RNA)
where:
Base-Base interactions energy: -1048.612
where: short stacking energy: -454.687
Base-Backbone interact. energy: -1.236
local terms energy: -533.137767
where:
bonds (distance) C4'-P energy: -101.220
bonds (distance) P-C4' energy: -116.597
flat angles C4'-P-C4' energy: -102.587
flat angles P-C4'-P energy: -92.643
tors. eta vs tors. theta energy: -120.091
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: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1473.166177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.166177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.166177 (E_RNA)
where:
Base-Base interactions energy: -951.798
where: short stacking energy: -413.586
Base-Backbone interact. energy: -3.988
local terms energy: -517.379787
where:
bonds (distance) C4'-P energy: -114.320
bonds (distance) P-C4' energy: -109.555
flat angles C4'-P-C4' energy: -119.008
flat angles P-C4'-P energy: -64.712
tors. eta vs tors. theta energy: -109.784
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: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1184.537551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.537551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.537551 (E_RNA)
where:
Base-Base interactions energy: -771.450
where: short stacking energy: -340.276
Base-Backbone interact. energy: -4.454
local terms energy: -408.633741
where:
bonds (distance) C4'-P energy: -85.214
bonds (distance) P-C4' energy: -107.339
flat angles C4'-P-C4' energy: -96.733
flat angles P-C4'-P energy: -50.046
tors. eta vs tors. theta energy: -69.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1059.213953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.213953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.213953 (E_RNA)
where:
Base-Base interactions energy: -616.541
where: short stacking energy: -258.250
Base-Backbone interact. energy: 0.861
local terms energy: -443.533592
where:
bonds (distance) C4'-P energy: -107.795
bonds (distance) P-C4' energy: -107.408
flat angles C4'-P-C4' energy: -107.772
flat angles P-C4'-P energy: -64.136
tors. eta vs tors. theta energy: -56.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -786.470525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.470525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.470525 (E_RNA)
where:
Base-Base interactions energy: -428.081
where: short stacking energy: -203.501
Base-Backbone interact. energy: 0.396
local terms energy: -358.786115
where:
bonds (distance) C4'-P energy: -83.860
bonds (distance) P-C4' energy: -108.494
flat angles C4'-P-C4' energy: -78.769
flat angles P-C4'-P energy: -63.719
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -469.048912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.048912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.048912 (E_RNA)
where:
Base-Base interactions energy: -181.243
where: short stacking energy: -148.012
Base-Backbone interact. energy: -0.394
local terms energy: -287.412397
where:
bonds (distance) C4'-P energy: -80.327
bonds (distance) P-C4' energy: -97.254
flat angles C4'-P-C4' energy: -86.571
flat angles P-C4'-P energy: -38.552
tors. eta vs tors. theta energy: 15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2016.721683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.721683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.721683 (E_RNA)
where:
Base-Base interactions energy: -1397.275
where: short stacking energy: -600.779
Base-Backbone interact. energy: -2.842
local terms energy: -616.604645
where:
bonds (distance) C4'-P energy: -116.240
bonds (distance) P-C4' energy: -121.143
flat angles C4'-P-C4' energy: -137.330
flat angles P-C4'-P energy: -68.037
tors. eta vs tors. theta energy: -173.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1884.181184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.181184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.181184 (E_RNA)
where:
Base-Base interactions energy: -1308.334
where: short stacking energy: -527.813
Base-Backbone interact. energy: -0.210
local terms energy: -575.637293
where:
bonds (distance) C4'-P energy: -116.146
bonds (distance) P-C4' energy: -114.561
flat angles C4'-P-C4' energy: -133.474
flat angles P-C4'-P energy: -75.375
tors. eta vs tors. theta energy: -136.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1886.355602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.355602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.355602 (E_RNA)
where:
Base-Base interactions energy: -1285.319
where: short stacking energy: -560.421
Base-Backbone interact. energy: -1.508
local terms energy: -599.528915
where:
bonds (distance) C4'-P energy: -116.125
bonds (distance) P-C4' energy: -104.523
flat angles C4'-P-C4' energy: -123.814
flat angles P-C4'-P energy: -84.804
tors. eta vs tors. theta energy: -170.263
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: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1737.423111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.423111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.423111 (E_RNA)
where:
Base-Base interactions energy: -1193.683
where: short stacking energy: -525.335
Base-Backbone interact. energy: -4.188
local terms energy: -539.551954
where:
bonds (distance) C4'-P energy: -100.658
bonds (distance) P-C4' energy: -105.165
flat angles C4'-P-C4' energy: -113.421
flat angles P-C4'-P energy: -75.145
tors. eta vs tors. theta energy: -145.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1601.814175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.814175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.814175 (E_RNA)
where:
Base-Base interactions energy: -1084.238
where: short stacking energy: -476.646
Base-Backbone interact. energy: -3.015
local terms energy: -514.561382
where:
bonds (distance) C4'-P energy: -100.696
bonds (distance) P-C4' energy: -94.923
flat angles C4'-P-C4' energy: -115.004
flat angles P-C4'-P energy: -70.862
tors. eta vs tors. theta energy: -133.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1487.532677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.532677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.532677 (E_RNA)
where:
Base-Base interactions energy: -985.764
where: short stacking energy: -402.760
Base-Backbone interact. energy: -1.549
local terms energy: -500.219650
where:
bonds (distance) C4'-P energy: -101.351
bonds (distance) P-C4' energy: -105.701
flat angles C4'-P-C4' energy: -115.067
flat angles P-C4'-P energy: -74.584
tors. eta vs tors. theta energy: -103.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1234.953590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.953590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.953590 (E_RNA)
where:
Base-Base interactions energy: -800.627
where: short stacking energy: -362.493
Base-Backbone interact. energy: -1.156
local terms energy: -433.170744
where:
bonds (distance) C4'-P energy: -85.981
bonds (distance) P-C4' energy: -98.752
flat angles C4'-P-C4' energy: -102.789
flat angles P-C4'-P energy: -74.884
tors. eta vs tors. theta energy: -70.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1075.521639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.521639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.521639 (E_RNA)
where:
Base-Base interactions energy: -670.893
where: short stacking energy: -320.648
Base-Backbone interact. energy: -2.205
local terms energy: -402.423549
where:
bonds (distance) C4'-P energy: -81.419
bonds (distance) P-C4' energy: -108.975
flat angles C4'-P-C4' energy: -87.462
flat angles P-C4'-P energy: -55.569
tors. eta vs tors. theta energy: -68.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -779.258114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.258114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.258114 (E_RNA)
where:
Base-Base interactions energy: -423.732
where: short stacking energy: -225.542
Base-Backbone interact. energy: 3.872
local terms energy: -359.398450
where:
bonds (distance) C4'-P energy: -97.026
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -95.027
flat angles P-C4'-P energy: -50.102
tors. eta vs tors. theta energy: -13.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -471.777810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.777810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.777810 (E_RNA)
where:
Base-Base interactions energy: -159.961
where: short stacking energy: -110.529
Base-Backbone interact. energy: 3.914
local terms energy: -315.730152
where:
bonds (distance) C4'-P energy: -106.074
bonds (distance) P-C4' energy: -95.318
flat angles C4'-P-C4' energy: -93.532
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: 24.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2025.185562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.185562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.185562 (E_RNA)
where:
Base-Base interactions energy: -1416.332
where: short stacking energy: -601.601
Base-Backbone interact. energy: -3.408
local terms energy: -605.445762
where:
bonds (distance) C4'-P energy: -115.059
bonds (distance) P-C4' energy: -121.632
flat angles C4'-P-C4' energy: -115.586
flat angles P-C4'-P energy: -80.255
tors. eta vs tors. theta energy: -172.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1917.348959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.348959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.348959 (E_RNA)
where:
Base-Base interactions energy: -1317.960
where: short stacking energy: -542.211
Base-Backbone interact. energy: -2.247
local terms energy: -597.142194
where:
bonds (distance) C4'-P energy: -112.595
bonds (distance) P-C4' energy: -120.685
flat angles C4'-P-C4' energy: -133.618
flat angles P-C4'-P energy: -85.497
tors. eta vs tors. theta energy: -144.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1852.163305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.163305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.163305 (E_RNA)
where:
Base-Base interactions energy: -1255.436
where: short stacking energy: -555.332
Base-Backbone interact. energy: -0.602
local terms energy: -596.125725
where:
bonds (distance) C4'-P energy: -118.986
bonds (distance) P-C4' energy: -101.702
flat angles C4'-P-C4' energy: -129.622
flat angles P-C4'-P energy: -78.114
tors. eta vs tors. theta energy: -167.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1749.183898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.183898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.183898 (E_RNA)
where:
Base-Base interactions energy: -1226.727
where: short stacking energy: -505.433
Base-Backbone interact. energy: -0.695
local terms energy: -521.761806
where:
bonds (distance) C4'-P energy: -94.229
bonds (distance) P-C4' energy: -91.823
flat angles C4'-P-C4' energy: -111.938
flat angles P-C4'-P energy: -77.221
tors. eta vs tors. theta energy: -146.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1590.386769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.386769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.386769 (E_RNA)
where:
Base-Base interactions energy: -1064.526
where: short stacking energy: -460.987
Base-Backbone interact. energy: -0.988
local terms energy: -524.872872
where:
bonds (distance) C4'-P energy: -103.892
bonds (distance) P-C4' energy: -101.944
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -70.880
tors. eta vs tors. theta energy: -127.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1458.448215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.448215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.448215 (E_RNA)
where:
Base-Base interactions energy: -968.134
where: short stacking energy: -422.155
Base-Backbone interact. energy: 2.278
local terms energy: -492.592120
where:
bonds (distance) C4'-P energy: -97.379
bonds (distance) P-C4' energy: -104.506
flat angles C4'-P-C4' energy: -106.382
flat angles P-C4'-P energy: -71.279
tors. eta vs tors. theta energy: -113.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1232.306047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.306047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.306047 (E_RNA)
where:
Base-Base interactions energy: -777.360
where: short stacking energy: -316.602
Base-Backbone interact. energy: -3.765
local terms energy: -451.181411
where:
bonds (distance) C4'-P energy: -107.783
bonds (distance) P-C4' energy: -107.050
flat angles C4'-P-C4' energy: -106.904
flat angles P-C4'-P energy: -66.275
tors. eta vs tors. theta energy: -63.170
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: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1040.135769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.135769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.135769 (E_RNA)
where:
Base-Base interactions energy: -602.405
where: short stacking energy: -264.753
Base-Backbone interact. energy: -0.392
local terms energy: -437.338281
where:
bonds (distance) C4'-P energy: -88.677
bonds (distance) P-C4' energy: -103.879
flat angles C4'-P-C4' energy: -109.083
flat angles P-C4'-P energy: -71.700
tors. eta vs tors. theta energy: -64.000
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: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -753.683129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.683129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.683129 (E_RNA)
where:
Base-Base interactions energy: -396.998
where: short stacking energy: -210.021
Base-Backbone interact. energy: 0.452
local terms energy: -357.136595
where:
bonds (distance) C4'-P energy: -103.602
bonds (distance) P-C4' energy: -106.925
flat angles C4'-P-C4' energy: -85.067
flat angles P-C4'-P energy: -36.854
tors. eta vs tors. theta energy: -24.689
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: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -489.055139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.055139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.055139 (E_RNA)
where:
Base-Base interactions energy: -188.894
where: short stacking energy: -119.897
Base-Backbone interact. energy: -0.274
local terms energy: -299.887796
where:
bonds (distance) C4'-P energy: -104.288
bonds (distance) P-C4' energy: -105.136
flat angles C4'-P-C4' energy: -78.636
flat angles P-C4'-P energy: -33.750
tors. eta vs tors. theta energy: 21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2040.809163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.809163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.809163 (E_RNA)
where:
Base-Base interactions energy: -1428.617
where: short stacking energy: -593.479
Base-Backbone interact. energy: -2.838
local terms energy: -609.354012
where:
bonds (distance) C4'-P energy: -111.462
bonds (distance) P-C4' energy: -116.502
flat angles C4'-P-C4' energy: -130.146
flat angles P-C4'-P energy: -79.153
tors. eta vs tors. theta energy: -172.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1886.016395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.016395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.016395 (E_RNA)
where:
Base-Base interactions energy: -1319.057
where: short stacking energy: -551.651
Base-Backbone interact. energy: -1.156
local terms energy: -565.803620
where:
bonds (distance) C4'-P energy: -99.067
bonds (distance) P-C4' energy: -109.144
flat angles C4'-P-C4' energy: -131.152
flat angles P-C4'-P energy: -87.442
tors. eta vs tors. theta energy: -138.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1860.841222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.841222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.841222 (E_RNA)
where:
Base-Base interactions energy: -1269.756
where: short stacking energy: -557.878
Base-Backbone interact. energy: -1.522
local terms energy: -589.563272
where:
bonds (distance) C4'-P energy: -115.275
bonds (distance) P-C4' energy: -98.025
flat angles C4'-P-C4' energy: -126.770
flat angles P-C4'-P energy: -84.784
tors. eta vs tors. theta energy: -164.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1771.889976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.889976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.889976 (E_RNA)
where:
Base-Base interactions energy: -1201.831
where: short stacking energy: -515.816
Base-Backbone interact. energy: 2.778
local terms energy: -572.836502
where:
bonds (distance) C4'-P energy: -126.753
bonds (distance) P-C4' energy: -107.477
flat angles C4'-P-C4' energy: -115.949
flat angles P-C4'-P energy: -74.600
tors. eta vs tors. theta energy: -148.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1629.188081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.188081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.188081 (E_RNA)
where:
Base-Base interactions energy: -1094.553
where: short stacking energy: -457.447
Base-Backbone interact. energy: -1.248
local terms energy: -533.386804
where:
bonds (distance) C4'-P energy: -110.604
bonds (distance) P-C4' energy: -86.712
flat angles C4'-P-C4' energy: -123.756
flat angles P-C4'-P energy: -80.358
tors. eta vs tors. theta energy: -131.956
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: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1499.433638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.433638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.433638 (E_RNA)
where:
Base-Base interactions energy: -988.211
where: short stacking energy: -426.952
Base-Backbone interact. energy: -2.028
local terms energy: -509.194973
where:
bonds (distance) C4'-P energy: -97.917
bonds (distance) P-C4' energy: -100.606
flat angles C4'-P-C4' energy: -115.054
flat angles P-C4'-P energy: -81.366
tors. eta vs tors. theta energy: -114.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1290.705570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.705570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.705570 (E_RNA)
where:
Base-Base interactions energy: -816.017
where: short stacking energy: -349.094
Base-Backbone interact. energy: 0.164
local terms energy: -474.853113
where:
bonds (distance) C4'-P energy: -108.566
bonds (distance) P-C4' energy: -101.982
flat angles C4'-P-C4' energy: -104.537
flat angles P-C4'-P energy: -75.107
tors. eta vs tors. theta energy: -84.661
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: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1056.215008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.215008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.215008 (E_RNA)
where:
Base-Base interactions energy: -663.252
where: short stacking energy: -308.436
Base-Backbone interact. energy: -2.108
local terms energy: -390.854995
where:
bonds (distance) C4'-P energy: -86.382
bonds (distance) P-C4' energy: -106.581
flat angles C4'-P-C4' energy: -87.728
flat angles P-C4'-P energy: -72.247
tors. eta vs tors. theta energy: -37.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -766.672505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.672505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.672505 (E_RNA)
where:
Base-Base interactions energy: -420.878
where: short stacking energy: -192.993
Base-Backbone interact. energy: -0.376
local terms energy: -345.418991
where:
bonds (distance) C4'-P energy: -99.695
bonds (distance) P-C4' energy: -103.915
flat angles C4'-P-C4' energy: -82.043
flat angles P-C4'-P energy: -50.854
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -458.884273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.884273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.884273 (E_RNA)
where:
Base-Base interactions energy: -159.058
where: short stacking energy: -145.453
Base-Backbone interact. energy: -1.346
local terms energy: -298.480603
where:
bonds (distance) C4'-P energy: -92.287
bonds (distance) P-C4' energy: -101.042
flat angles C4'-P-C4' energy: -91.537
flat angles P-C4'-P energy: -34.769
tors. eta vs tors. theta energy: 21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2021.275470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.275470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.275470 (E_RNA)
where:
Base-Base interactions energy: -1375.993
where: short stacking energy: -583.296
Base-Backbone interact. energy: 1.338
local terms energy: -646.620336
where:
bonds (distance) C4'-P energy: -119.707
bonds (distance) P-C4' energy: -127.638
flat angles C4'-P-C4' energy: -135.228
flat angles P-C4'-P energy: -95.388
tors. eta vs tors. theta energy: -168.658
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: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1925.308592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.308592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.308592 (E_RNA)
where:
Base-Base interactions energy: -1319.621
where: short stacking energy: -569.356
Base-Backbone interact. energy: -2.983
local terms energy: -602.704910
where:
bonds (distance) C4'-P energy: -112.457
bonds (distance) P-C4' energy: -117.424
flat angles C4'-P-C4' energy: -133.867
flat angles P-C4'-P energy: -77.264
tors. eta vs tors. theta energy: -161.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1864.128039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.128039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.128039 (E_RNA)
where:
Base-Base interactions energy: -1289.572
where: short stacking energy: -543.582
Base-Backbone interact. energy: -0.100
local terms energy: -574.456576
where:
bonds (distance) C4'-P energy: -112.102
bonds (distance) P-C4' energy: -121.337
flat angles C4'-P-C4' energy: -123.008
flat angles P-C4'-P energy: -80.965
tors. eta vs tors. theta energy: -137.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1792.366880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.366880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.366880 (E_RNA)
where:
Base-Base interactions energy: -1213.724
where: short stacking energy: -527.555
Base-Backbone interact. energy: -3.175
local terms energy: -575.468216
where:
bonds (distance) C4'-P energy: -97.890
bonds (distance) P-C4' energy: -111.424
flat angles C4'-P-C4' energy: -125.900
flat angles P-C4'-P energy: -87.824
tors. eta vs tors. theta energy: -152.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1605.171280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.171280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.171280 (E_RNA)
where:
Base-Base interactions energy: -1085.069
where: short stacking energy: -493.361
Base-Backbone interact. energy: 1.136
local terms energy: -521.237534
where:
bonds (distance) C4'-P energy: -93.622
bonds (distance) P-C4' energy: -110.792
flat angles C4'-P-C4' energy: -112.871
flat angles P-C4'-P energy: -64.769
tors. eta vs tors. theta energy: -139.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1499.089281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.089281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.089281 (E_RNA)
where:
Base-Base interactions energy: -1025.798
where: short stacking energy: -449.393
Base-Backbone interact. energy: 0.625
local terms energy: -473.916211
where:
bonds (distance) C4'-P energy: -88.826
bonds (distance) P-C4' energy: -98.930
flat angles C4'-P-C4' energy: -101.795
flat angles P-C4'-P energy: -58.871
tors. eta vs tors. theta energy: -125.495
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: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1245.249036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.249036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.249036 (E_RNA)
where:
Base-Base interactions energy: -800.113
where: short stacking energy: -336.378
Base-Backbone interact. energy: -4.223
local terms energy: -440.912700
where:
bonds (distance) C4'-P energy: -101.018
bonds (distance) P-C4' energy: -98.096
flat angles C4'-P-C4' energy: -98.285
flat angles P-C4'-P energy: -65.590
tors. eta vs tors. theta energy: -77.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1039.851831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.851831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.851831 (E_RNA)
where:
Base-Base interactions energy: -617.434
where: short stacking energy: -295.143
Base-Backbone interact. energy: 1.120
local terms energy: -423.538503
where:
bonds (distance) C4'-P energy: -94.230
bonds (distance) P-C4' energy: -90.832
flat angles C4'-P-C4' energy: -105.622
flat angles P-C4'-P energy: -74.646
tors. eta vs tors. theta energy: -58.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -713.861368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.861368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.861368 (E_RNA)
where:
Base-Base interactions energy: -389.028
where: short stacking energy: -222.756
Base-Backbone interact. energy: 0.104
local terms energy: -324.936910
where:
bonds (distance) C4'-P energy: -82.671
bonds (distance) P-C4' energy: -102.103
flat angles C4'-P-C4' energy: -93.310
flat angles P-C4'-P energy: -40.577
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -491.215127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.215127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.215127 (E_RNA)
where:
Base-Base interactions energy: -192.282
where: short stacking energy: -132.833
Base-Backbone interact. energy: 2.611
local terms energy: -301.544032
where:
bonds (distance) C4'-P energy: -81.823
bonds (distance) P-C4' energy: -98.929
flat angles C4'-P-C4' energy: -95.442
flat angles P-C4'-P energy: -39.891
tors. eta vs tors. theta energy: 14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2024.406495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.406495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.406495 (E_RNA)
where:
Base-Base interactions energy: -1397.415
where: short stacking energy: -582.497
Base-Backbone interact. energy: -4.900
local terms energy: -622.091215
where:
bonds (distance) C4'-P energy: -110.559
bonds (distance) P-C4' energy: -117.152
flat angles C4'-P-C4' energy: -138.261
flat angles P-C4'-P energy: -87.786
tors. eta vs tors. theta energy: -168.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1915.809293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.809293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.809293 (E_RNA)
where:
Base-Base interactions energy: -1297.536
where: short stacking energy: -558.584
Base-Backbone interact. energy: -2.733
local terms energy: -615.539586
where:
bonds (distance) C4'-P energy: -109.798
bonds (distance) P-C4' energy: -114.627
flat angles C4'-P-C4' energy: -139.965
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -172.202
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: 206
Temperature: 1.000000
Total energy: -1824.698753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.698753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.698753 (E_RNA)
where:
Base-Base interactions energy: -1260.728
where: short stacking energy: -534.027
Base-Backbone interact. energy: -2.162
local terms energy: -561.808202
where:
bonds (distance) C4'-P energy: -97.687
bonds (distance) P-C4' energy: -119.603
flat angles C4'-P-C4' energy: -132.678
flat angles P-C4'-P energy: -73.691
tors. eta vs tors. theta energy: -138.149
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: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1792.218595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.218595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.218595 (E_RNA)
where:
Base-Base interactions energy: -1227.449
where: short stacking energy: -541.610
Base-Backbone interact. energy: -2.025
local terms energy: -562.743868
where:
bonds (distance) C4'-P energy: -109.985
bonds (distance) P-C4' energy: -115.641
flat angles C4'-P-C4' energy: -105.412
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -147.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1595.290157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.290157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.290157 (E_RNA)
where:
Base-Base interactions energy: -1079.717
where: short stacking energy: -473.870
Base-Backbone interact. energy: -2.237
local terms energy: -513.336102
where:
bonds (distance) C4'-P energy: -98.394
bonds (distance) P-C4' energy: -99.510
flat angles C4'-P-C4' energy: -118.784
flat angles P-C4'-P energy: -74.852
tors. eta vs tors. theta energy: -121.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1556.497559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.497559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.497559 (E_RNA)
where:
Base-Base interactions energy: -1026.296
where: short stacking energy: -453.509
Base-Backbone interact. energy: -2.668
local terms energy: -527.533190
where:
bonds (distance) C4'-P energy: -109.153
bonds (distance) P-C4' energy: -101.142
flat angles C4'-P-C4' energy: -113.331
flat angles P-C4'-P energy: -81.597
tors. eta vs tors. theta energy: -122.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1279.089589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.089589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.089589 (E_RNA)
where:
Base-Base interactions energy: -840.739
where: short stacking energy: -350.132
Base-Backbone interact. energy: 0.233
local terms energy: -438.583823
where:
bonds (distance) C4'-P energy: -91.286
bonds (distance) P-C4' energy: -85.540
flat angles C4'-P-C4' energy: -110.841
flat angles P-C4'-P energy: -73.839
tors. eta vs tors. theta energy: -77.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1075.911116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.911116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.911116 (E_RNA)
where:
Base-Base interactions energy: -681.221
where: short stacking energy: -315.364
Base-Backbone interact. energy: -1.875
local terms energy: -392.814758
where:
bonds (distance) C4'-P energy: -85.812
bonds (distance) P-C4' energy: -111.470
flat angles C4'-P-C4' energy: -86.601
flat angles P-C4'-P energy: -43.877
tors. eta vs tors. theta energy: -65.055
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: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -745.441643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.441643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.441643 (E_RNA)
where:
Base-Base interactions energy: -395.220
where: short stacking energy: -195.289
Base-Backbone interact. energy: -1.591
local terms energy: -348.631122
where:
bonds (distance) C4'-P energy: -93.846
bonds (distance) P-C4' energy: -99.801
flat angles C4'-P-C4' energy: -85.055
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -457.607706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.607706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.607706 (E_RNA)
where:
Base-Base interactions energy: -183.278
where: short stacking energy: -161.435
Base-Backbone interact. energy: 0.975
local terms energy: -275.304523
where:
bonds (distance) C4'-P energy: -75.242
bonds (distance) P-C4' energy: -95.099
flat angles C4'-P-C4' energy: -75.209
flat angles P-C4'-P energy: -46.436
tors. eta vs tors. theta energy: 16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2021.127009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.127009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.127009 (E_RNA)
where:
Base-Base interactions energy: -1398.488
where: short stacking energy: -575.722
Base-Backbone interact. energy: -4.848
local terms energy: -617.791031
where:
bonds (distance) C4'-P energy: -116.499
bonds (distance) P-C4' energy: -120.235
flat angles C4'-P-C4' energy: -131.106
flat angles P-C4'-P energy: -88.144
tors. eta vs tors. theta energy: -161.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1911.533607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.533607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.533607 (E_RNA)
where:
Base-Base interactions energy: -1285.009
where: short stacking energy: -539.990
Base-Backbone interact. energy: -4.709
local terms energy: -621.815991
where:
bonds (distance) C4'-P energy: -118.444
bonds (distance) P-C4' energy: -119.447
flat angles C4'-P-C4' energy: -133.284
flat angles P-C4'-P energy: -85.303
tors. eta vs tors. theta energy: -165.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1792.960879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.960879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.960879 (E_RNA)
where:
Base-Base interactions energy: -1219.251
where: short stacking energy: -501.039
Base-Backbone interact. energy: -4.211
local terms energy: -569.499745
where:
bonds (distance) C4'-P energy: -99.486
bonds (distance) P-C4' energy: -107.071
flat angles C4'-P-C4' energy: -127.862
flat angles P-C4'-P energy: -97.479
tors. eta vs tors. theta energy: -137.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1783.668326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.668326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.668326 (E_RNA)
where:
Base-Base interactions energy: -1216.214
where: short stacking energy: -525.027
Base-Backbone interact. energy: -0.189
local terms energy: -567.265382
where:
bonds (distance) C4'-P energy: -102.976
bonds (distance) P-C4' energy: -109.502
flat angles C4'-P-C4' energy: -110.642
flat angles P-C4'-P energy: -88.174
tors. eta vs tors. theta energy: -155.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1590.915202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.915202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.915202 (E_RNA)
where:
Base-Base interactions energy: -1060.685
where: short stacking energy: -458.213
Base-Backbone interact. energy: 3.164
local terms energy: -533.394113
where:
bonds (distance) C4'-P energy: -102.221
bonds (distance) P-C4' energy: -121.561
flat angles C4'-P-C4' energy: -116.927
flat angles P-C4'-P energy: -69.041
tors. eta vs tors. theta energy: -123.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1502.193362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.193362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.193362 (E_RNA)
where:
Base-Base interactions energy: -1004.939
where: short stacking energy: -451.505
Base-Backbone interact. energy: 2.745
local terms energy: -499.999794
where:
bonds (distance) C4'-P energy: -100.261
bonds (distance) P-C4' energy: -93.408
flat angles C4'-P-C4' energy: -116.776
flat angles P-C4'-P energy: -65.776
tors. eta vs tors. theta energy: -123.779
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: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1260.639005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.639005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.639005 (E_RNA)
where:
Base-Base interactions energy: -807.815
where: short stacking energy: -365.205
Base-Backbone interact. energy: -4.013
local terms energy: -448.811469
where:
bonds (distance) C4'-P energy: -103.094
bonds (distance) P-C4' energy: -98.869
flat angles C4'-P-C4' energy: -116.363
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -77.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1044.360373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.360373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.360373 (E_RNA)
where:
Base-Base interactions energy: -643.784
where: short stacking energy: -300.258
Base-Backbone interact. energy: -1.070
local terms energy: -399.505804
where:
bonds (distance) C4'-P energy: -98.376
bonds (distance) P-C4' energy: -71.533
flat angles C4'-P-C4' energy: -94.279
flat angles P-C4'-P energy: -67.417
tors. eta vs tors. theta energy: -67.899
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: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -760.239963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.239963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.239963 (E_RNA)
where:
Base-Base interactions energy: -439.692
where: short stacking energy: -207.227
Base-Backbone interact. energy: 3.281
local terms energy: -323.828873
where:
bonds (distance) C4'-P energy: -84.170
bonds (distance) P-C4' energy: -100.210
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -57.934
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -434.610864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.610864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.610864 (E_RNA)
where:
Base-Base interactions energy: -148.321
where: short stacking energy: -119.419
Base-Backbone interact. energy: 2.282
local terms energy: -288.571780
where:
bonds (distance) C4'-P energy: -100.099
bonds (distance) P-C4' energy: -118.084
flat angles C4'-P-C4' energy: -75.262
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: 38.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1993.082677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.082677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.082677 (E_RNA)
where:
Base-Base interactions energy: -1396.225
where: short stacking energy: -568.467
Base-Backbone interact. energy: -0.838
local terms energy: -596.020052
where:
bonds (distance) C4'-P energy: -108.238
bonds (distance) P-C4' energy: -117.734
flat angles C4'-P-C4' energy: -132.552
flat angles P-C4'-P energy: -79.903
tors. eta vs tors. theta energy: -157.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1922.781571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.781571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.781571 (E_RNA)
where:
Base-Base interactions energy: -1312.504
where: short stacking energy: -577.225
Base-Backbone interact. energy: -1.653
local terms energy: -608.624642
where:
bonds (distance) C4'-P energy: -91.606
bonds (distance) P-C4' energy: -122.901
flat angles C4'-P-C4' energy: -128.463
flat angles P-C4'-P energy: -94.555
tors. eta vs tors. theta energy: -171.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1825.404000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.404000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.404000 (E_RNA)
where:
Base-Base interactions energy: -1216.596
where: short stacking energy: -504.212
Base-Backbone interact. energy: -3.200
local terms energy: -605.607602
where:
bonds (distance) C4'-P energy: -113.709
bonds (distance) P-C4' energy: -115.708
flat angles C4'-P-C4' energy: -125.278
flat angles P-C4'-P energy: -99.690
tors. eta vs tors. theta energy: -151.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1754.924280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.924280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.924280 (E_RNA)
where:
Base-Base interactions energy: -1219.337
where: short stacking energy: -513.964
Base-Backbone interact. energy: -1.032
local terms energy: -534.555789
where:
bonds (distance) C4'-P energy: -110.104
bonds (distance) P-C4' energy: -99.732
flat angles C4'-P-C4' energy: -127.268
flat angles P-C4'-P energy: -58.491
tors. eta vs tors. theta energy: -138.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1614.927017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.927017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.927017 (E_RNA)
where:
Base-Base interactions energy: -1105.195
where: short stacking energy: -473.712
Base-Backbone interact. energy: -1.551
local terms energy: -508.181721
where:
bonds (distance) C4'-P energy: -87.963
bonds (distance) P-C4' energy: -94.085
flat angles C4'-P-C4' energy: -122.141
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -125.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1513.559619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.559619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.559619 (E_RNA)
where:
Base-Base interactions energy: -992.194
where: short stacking energy: -435.982
Base-Backbone interact. energy: -1.759
local terms energy: -519.606472
where:
bonds (distance) C4'-P energy: -109.996
bonds (distance) P-C4' energy: -83.698
flat angles C4'-P-C4' energy: -117.499
flat angles P-C4'-P energy: -79.115
tors. eta vs tors. theta energy: -129.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1310.960762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.960762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.960762 (E_RNA)
where:
Base-Base interactions energy: -878.566
where: short stacking energy: -380.732
Base-Backbone interact. energy: -2.089
local terms energy: -430.305733
where:
bonds (distance) C4'-P energy: -85.367
bonds (distance) P-C4' energy: -105.711
flat angles C4'-P-C4' energy: -95.882
flat angles P-C4'-P energy: -52.338
tors. eta vs tors. theta energy: -91.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1055.062257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.062257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.062257 (E_RNA)
where:
Base-Base interactions energy: -645.741
where: short stacking energy: -288.691
Base-Backbone interact. energy: -3.306
local terms energy: -406.014883
where:
bonds (distance) C4'-P energy: -107.627
bonds (distance) P-C4' energy: -110.255
flat angles C4'-P-C4' energy: -71.622
flat angles P-C4'-P energy: -61.991
tors. eta vs tors. theta energy: -54.521
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: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -809.904197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.904197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.904197 (E_RNA)
where:
Base-Base interactions energy: -438.366
where: short stacking energy: -233.821
Base-Backbone interact. energy: -0.930
local terms energy: -370.608227
where:
bonds (distance) C4'-P energy: -80.100
bonds (distance) P-C4' energy: -109.739
flat angles C4'-P-C4' energy: -99.009
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -453.210381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.210381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.210381 (E_RNA)
where:
Base-Base interactions energy: -172.209
where: short stacking energy: -135.178
Base-Backbone interact. energy: 2.159
local terms energy: -283.160682
where:
bonds (distance) C4'-P energy: -87.402
bonds (distance) P-C4' energy: -91.667
flat angles C4'-P-C4' energy: -85.698
flat angles P-C4'-P energy: -47.300
tors. eta vs tors. theta energy: 28.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2024.933299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.933299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.933299 (E_RNA)
where:
Base-Base interactions energy: -1411.051
where: short stacking energy: -596.311
Base-Backbone interact. energy: -2.076
local terms energy: -611.806194
where:
bonds (distance) C4'-P energy: -113.543
bonds (distance) P-C4' energy: -110.483
flat angles C4'-P-C4' energy: -133.584
flat angles P-C4'-P energy: -90.873
tors. eta vs tors. theta energy: -163.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1935.171330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.171330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.171330 (E_RNA)
where:
Base-Base interactions energy: -1284.172
where: short stacking energy: -611.419
Base-Backbone interact. energy: -0.275
local terms energy: -650.724290
where:
bonds (distance) C4'-P energy: -117.805
bonds (distance) P-C4' energy: -127.471
flat angles C4'-P-C4' energy: -129.880
flat angles P-C4'-P energy: -95.771
tors. eta vs tors. theta energy: -179.797
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: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1825.336759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.336759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.336759 (E_RNA)
where:
Base-Base interactions energy: -1254.129
where: short stacking energy: -530.441
Base-Backbone interact. energy: -3.117
local terms energy: -568.090024
where:
bonds (distance) C4'-P energy: -109.473
bonds (distance) P-C4' energy: -111.996
flat angles C4'-P-C4' energy: -117.078
flat angles P-C4'-P energy: -83.596
tors. eta vs tors. theta energy: -145.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1767.190302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.190302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.190302 (E_RNA)
where:
Base-Base interactions energy: -1226.018
where: short stacking energy: -493.851
Base-Backbone interact. energy: -2.709
local terms energy: -538.463716
where:
bonds (distance) C4'-P energy: -89.450
bonds (distance) P-C4' energy: -112.451
flat angles C4'-P-C4' energy: -122.842
flat angles P-C4'-P energy: -80.019
tors. eta vs tors. theta energy: -133.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1584.328902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.328902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.328902 (E_RNA)
where:
Base-Base interactions energy: -1069.758
where: short stacking energy: -477.602
Base-Backbone interact. energy: -0.819
local terms energy: -513.751883
where:
bonds (distance) C4'-P energy: -84.516
bonds (distance) P-C4' energy: -102.533
flat angles C4'-P-C4' energy: -113.870
flat angles P-C4'-P energy: -77.110
tors. eta vs tors. theta energy: -135.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1501.904876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.904876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.904876 (E_RNA)
where:
Base-Base interactions energy: -1000.706
where: short stacking energy: -438.520
Base-Backbone interact. energy: 1.620
local terms energy: -502.818798
where:
bonds (distance) C4'-P energy: -85.549
bonds (distance) P-C4' energy: -114.968
flat angles C4'-P-C4' energy: -118.825
flat angles P-C4'-P energy: -66.991
tors. eta vs tors. theta energy: -116.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1288.871367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.871367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.871367 (E_RNA)
where:
Base-Base interactions energy: -855.476
where: short stacking energy: -372.438
Base-Backbone interact. energy: -4.004
local terms energy: -429.390698
where:
bonds (distance) C4'-P energy: -87.755
bonds (distance) P-C4' energy: -113.969
flat angles C4'-P-C4' energy: -98.935
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: -74.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1102.858382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.858382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.858382 (E_RNA)
where:
Base-Base interactions energy: -712.755
where: short stacking energy: -303.749
Base-Backbone interact. energy: 0.277
local terms energy: -390.379928
where:
bonds (distance) C4'-P energy: -81.694
bonds (distance) P-C4' energy: -98.683
flat angles C4'-P-C4' energy: -93.652
flat angles P-C4'-P energy: -52.626
tors. eta vs tors. theta energy: -63.725
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: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -786.993596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.993596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.993596 (E_RNA)
where:
Base-Base interactions energy: -449.377
where: short stacking energy: -239.901
Base-Backbone interact. energy: 3.877
local terms energy: -341.493618
where:
bonds (distance) C4'-P energy: -105.204
bonds (distance) P-C4' energy: -99.316
flat angles C4'-P-C4' energy: -60.674
flat angles P-C4'-P energy: -53.190
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -440.124854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.124854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.124854 (E_RNA)
where:
Base-Base interactions energy: -156.122
where: short stacking energy: -113.709
Base-Backbone interact. energy: 7.388
local terms energy: -291.390464
where:
bonds (distance) C4'-P energy: -93.994
bonds (distance) P-C4' energy: -94.813
flat angles C4'-P-C4' energy: -80.991
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: 25.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2037.434669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.434669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.434669 (E_RNA)
where:
Base-Base interactions energy: -1412.410
where: short stacking energy: -594.537
Base-Backbone interact. energy: -4.555
local terms energy: -620.469813
where:
bonds (distance) C4'-P energy: -111.372
bonds (distance) P-C4' energy: -119.515
flat angles C4'-P-C4' energy: -133.486
flat angles P-C4'-P energy: -94.601
tors. eta vs tors. theta energy: -161.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1877.013367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.013367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.013367 (E_RNA)
where:
Base-Base interactions energy: -1269.329
where: short stacking energy: -557.355
Base-Backbone interact. energy: 0.631
local terms energy: -608.314962
where:
bonds (distance) C4'-P energy: -116.790
bonds (distance) P-C4' energy: -117.417
flat angles C4'-P-C4' energy: -123.312
flat angles P-C4'-P energy: -90.578
tors. eta vs tors. theta energy: -160.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1810.556647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.556647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.556647 (E_RNA)
where:
Base-Base interactions energy: -1234.898
where: short stacking energy: -539.671
Base-Backbone interact. energy: 2.071
local terms energy: -577.730026
where:
bonds (distance) C4'-P energy: -118.652
bonds (distance) P-C4' energy: -96.680
flat angles C4'-P-C4' energy: -124.353
flat angles P-C4'-P energy: -78.155
tors. eta vs tors. theta energy: -159.890
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: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1723.990423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.990423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.990423 (E_RNA)
where:
Base-Base interactions energy: -1189.202
where: short stacking energy: -473.389
Base-Backbone interact. energy: 1.458
local terms energy: -536.246573
where:
bonds (distance) C4'-P energy: -119.608
bonds (distance) P-C4' energy: -105.483
flat angles C4'-P-C4' energy: -120.119
flat angles P-C4'-P energy: -69.664
tors. eta vs tors. theta energy: -121.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1552.726586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.726586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.726586 (E_RNA)
where:
Base-Base interactions energy: -1037.215
where: short stacking energy: -445.004
Base-Backbone interact. energy: 0.756
local terms energy: -516.267689
where:
bonds (distance) C4'-P energy: -97.050
bonds (distance) P-C4' energy: -105.843
flat angles C4'-P-C4' energy: -120.763
flat angles P-C4'-P energy: -78.383
tors. eta vs tors. theta energy: -114.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1475.030414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.030414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.030414 (E_RNA)
where:
Base-Base interactions energy: -971.331
where: short stacking energy: -415.526
Base-Backbone interact. energy: 0.210
local terms energy: -503.908916
where:
bonds (distance) C4'-P energy: -109.146
bonds (distance) P-C4' energy: -102.614
flat angles C4'-P-C4' energy: -113.643
flat angles P-C4'-P energy: -68.914
tors. eta vs tors. theta energy: -109.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1258.351925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.351925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.351925 (E_RNA)
where:
Base-Base interactions energy: -791.094
where: short stacking energy: -381.900
Base-Backbone interact. energy: -1.800
local terms energy: -465.458358
where:
bonds (distance) C4'-P energy: -111.561
bonds (distance) P-C4' energy: -119.784
flat angles C4'-P-C4' energy: -98.152
flat angles P-C4'-P energy: -58.671
tors. eta vs tors. theta energy: -77.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1125.400645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.400645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.400645 (E_RNA)
where:
Base-Base interactions energy: -706.003
where: short stacking energy: -329.801
Base-Backbone interact. energy: -5.202
local terms energy: -414.194988
where:
bonds (distance) C4'-P energy: -100.010
bonds (distance) P-C4' energy: -88.884
flat angles C4'-P-C4' energy: -100.891
flat angles P-C4'-P energy: -61.634
tors. eta vs tors. theta energy: -62.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -774.015122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.015122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.015122 (E_RNA)
where:
Base-Base interactions energy: -434.540
where: short stacking energy: -236.486
Base-Backbone interact. energy: 2.764
local terms energy: -342.238339
where:
bonds (distance) C4'-P energy: -64.904
bonds (distance) P-C4' energy: -104.563
flat angles C4'-P-C4' energy: -99.685
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -36.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -459.573502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.573502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.573502 (E_RNA)
where:
Base-Base interactions energy: -167.065
where: short stacking energy: -127.033
Base-Backbone interact. energy: 4.350
local terms energy: -296.858704
where:
bonds (distance) C4'-P energy: -89.768
bonds (distance) P-C4' energy: -99.824
flat angles C4'-P-C4' energy: -88.285
flat angles P-C4'-P energy: -35.287
tors. eta vs tors. theta energy: 16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1983.402732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.402732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.402732 (E_RNA)
where:
Base-Base interactions energy: -1378.086
where: short stacking energy: -565.592
Base-Backbone interact. energy: -1.251
local terms energy: -604.066210
where:
bonds (distance) C4'-P energy: -111.171
bonds (distance) P-C4' energy: -115.516
flat angles C4'-P-C4' energy: -136.226
flat angles P-C4'-P energy: -83.340
tors. eta vs tors. theta energy: -157.814
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: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1912.290057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.290057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.290057 (E_RNA)
where:
Base-Base interactions energy: -1281.330
where: short stacking energy: -581.568
Base-Backbone interact. energy: -2.209
local terms energy: -628.751069
where:
bonds (distance) C4'-P energy: -115.506
bonds (distance) P-C4' energy: -124.931
flat angles C4'-P-C4' energy: -131.288
flat angles P-C4'-P energy: -79.995
tors. eta vs tors. theta energy: -177.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1839.645872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.645872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.645872 (E_RNA)
where:
Base-Base interactions energy: -1280.979
where: short stacking energy: -548.775
Base-Backbone interact. energy: 1.288
local terms energy: -559.954638
where:
bonds (distance) C4'-P energy: -101.537
bonds (distance) P-C4' energy: -104.883
flat angles C4'-P-C4' energy: -117.208
flat angles P-C4'-P energy: -75.591
tors. eta vs tors. theta energy: -160.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1712.662786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.662786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.662786 (E_RNA)
where:
Base-Base interactions energy: -1174.994
where: short stacking energy: -493.992
Base-Backbone interact. energy: -0.314
local terms energy: -537.355441
where:
bonds (distance) C4'-P energy: -102.810
bonds (distance) P-C4' energy: -102.588
flat angles C4'-P-C4' energy: -121.048
flat angles P-C4'-P energy: -84.059
tors. eta vs tors. theta energy: -126.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1562.037716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.037716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.037716 (E_RNA)
where:
Base-Base interactions energy: -1026.454
where: short stacking energy: -462.886
Base-Backbone interact. energy: -0.375
local terms energy: -535.208291
where:
bonds (distance) C4'-P energy: -103.122
bonds (distance) P-C4' energy: -105.224
flat angles C4'-P-C4' energy: -122.379
flat angles P-C4'-P energy: -81.598
tors. eta vs tors. theta energy: -122.885
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: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1487.396089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.396089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.396089 (E_RNA)
where:
Base-Base interactions energy: -973.024
where: short stacking energy: -430.166
Base-Backbone interact. energy: -0.933
local terms energy: -513.438558
where:
bonds (distance) C4'-P energy: -107.030
bonds (distance) P-C4' energy: -98.945
flat angles C4'-P-C4' energy: -121.288
flat angles P-C4'-P energy: -72.352
tors. eta vs tors. theta energy: -113.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1228.029021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.029021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.029021 (E_RNA)
where:
Base-Base interactions energy: -800.521
where: short stacking energy: -358.866
Base-Backbone interact. energy: -0.984
local terms energy: -426.524429
where:
bonds (distance) C4'-P energy: -100.405
bonds (distance) P-C4' energy: -94.153
flat angles C4'-P-C4' energy: -84.180
flat angles P-C4'-P energy: -71.126
tors. eta vs tors. theta energy: -76.661
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: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1092.366557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.366557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.366557 (E_RNA)
where:
Base-Base interactions energy: -674.369
where: short stacking energy: -305.271
Base-Backbone interact. energy: -1.266
local terms energy: -416.732063
where:
bonds (distance) C4'-P energy: -89.143
bonds (distance) P-C4' energy: -112.342
flat angles C4'-P-C4' energy: -88.141
flat angles P-C4'-P energy: -72.398
tors. eta vs tors. theta energy: -54.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -745.038099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.038099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.038099 (E_RNA)
where:
Base-Base interactions energy: -393.475
where: short stacking energy: -187.698
Base-Backbone interact. energy: -1.878
local terms energy: -349.685010
where:
bonds (distance) C4'-P energy: -107.910
bonds (distance) P-C4' energy: -101.721
flat angles C4'-P-C4' energy: -80.564
flat angles P-C4'-P energy: -53.452
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -449.571502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.571502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.571502 (E_RNA)
where:
Base-Base interactions energy: -148.100
where: short stacking energy: -129.795
Base-Backbone interact. energy: 0.983
local terms energy: -302.454797
where:
bonds (distance) C4'-P energy: -95.119
bonds (distance) P-C4' energy: -85.250
flat angles C4'-P-C4' energy: -77.991
flat angles P-C4'-P energy: -66.923
tors. eta vs tors. theta energy: 22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2033.474644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.474644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.474644 (E_RNA)
where:
Base-Base interactions energy: -1400.872
where: short stacking energy: -565.955
Base-Backbone interact. energy: -1.141
local terms energy: -631.462384
where:
bonds (distance) C4'-P energy: -122.287
bonds (distance) P-C4' energy: -127.984
flat angles C4'-P-C4' energy: -137.032
flat angles P-C4'-P energy: -71.472
tors. eta vs tors. theta energy: -172.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1878.103297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.103297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.103297 (E_RNA)
where:
Base-Base interactions energy: -1266.958
where: short stacking energy: -559.057
Base-Backbone interact. energy: -1.267
local terms energy: -609.878283
where:
bonds (distance) C4'-P energy: -103.537
bonds (distance) P-C4' energy: -118.264
flat angles C4'-P-C4' energy: -136.667
flat angles P-C4'-P energy: -89.247
tors. eta vs tors. theta energy: -162.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1813.971688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.971688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.971688 (E_RNA)
where:
Base-Base interactions energy: -1236.177
where: short stacking energy: -527.764
Base-Backbone interact. energy: -2.560
local terms energy: -575.235114
where:
bonds (distance) C4'-P energy: -109.953
bonds (distance) P-C4' energy: -99.168
flat angles C4'-P-C4' energy: -120.306
flat angles P-C4'-P energy: -90.168
tors. eta vs tors. theta energy: -155.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1735.804403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.804403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.804403 (E_RNA)
where:
Base-Base interactions energy: -1182.989
where: short stacking energy: -493.579
Base-Backbone interact. energy: 0.922
local terms energy: -553.737915
where:
bonds (distance) C4'-P energy: -110.769
bonds (distance) P-C4' energy: -110.556
flat angles C4'-P-C4' energy: -125.788
flat angles P-C4'-P energy: -70.483
tors. eta vs tors. theta energy: -136.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1578.424041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.424041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.424041 (E_RNA)
where:
Base-Base interactions energy: -1048.204
where: short stacking energy: -438.194
Base-Backbone interact. energy: -2.015
local terms energy: -528.204779
where:
bonds (distance) C4'-P energy: -90.260
bonds (distance) P-C4' energy: -117.923
flat angles C4'-P-C4' energy: -125.444
flat angles P-C4'-P energy: -68.407
tors. eta vs tors. theta energy: -126.172
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: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1432.687206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.687206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.687206 (E_RNA)
where:
Base-Base interactions energy: -946.758
where: short stacking energy: -419.081
Base-Backbone interact. energy: -0.412
local terms energy: -485.517427
where:
bonds (distance) C4'-P energy: -96.884
bonds (distance) P-C4' energy: -115.594
flat angles C4'-P-C4' energy: -96.179
flat angles P-C4'-P energy: -72.383
tors. eta vs tors. theta energy: -104.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1229.535998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.535998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.535998 (E_RNA)
where:
Base-Base interactions energy: -791.398
where: short stacking energy: -332.853
Base-Backbone interact. energy: -2.720
local terms energy: -435.418004
where:
bonds (distance) C4'-P energy: -94.666
bonds (distance) P-C4' energy: -112.807
flat angles C4'-P-C4' energy: -113.420
flat angles P-C4'-P energy: -57.439
tors. eta vs tors. theta energy: -57.087
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: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1012.549702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.549702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.549702 (E_RNA)
where:
Base-Base interactions energy: -630.055
where: short stacking energy: -278.861
Base-Backbone interact. energy: 1.582
local terms energy: -384.076682
where:
bonds (distance) C4'-P energy: -83.881
bonds (distance) P-C4' energy: -80.658
flat angles C4'-P-C4' energy: -107.328
flat angles P-C4'-P energy: -63.715
tors. eta vs tors. theta energy: -48.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -775.579378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.579378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.579378 (E_RNA)
where:
Base-Base interactions energy: -405.643
where: short stacking energy: -225.072
Base-Backbone interact. energy: 0.162
local terms energy: -370.097561
where:
bonds (distance) C4'-P energy: -113.533
bonds (distance) P-C4' energy: -95.352
flat angles C4'-P-C4' energy: -91.416
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -450.965897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.965897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.965897 (E_RNA)
where:
Base-Base interactions energy: -134.276
where: short stacking energy: -126.911
Base-Backbone interact. energy: -2.381
local terms energy: -314.309274
where:
bonds (distance) C4'-P energy: -98.557
bonds (distance) P-C4' energy: -80.193
flat angles C4'-P-C4' energy: -97.559
flat angles P-C4'-P energy: -61.372
tors. eta vs tors. theta energy: 23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2024.832659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.832659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.832659 (E_RNA)
where:
Base-Base interactions energy: -1406.635
where: short stacking energy: -576.901
Base-Backbone interact. energy: 0.152
local terms energy: -618.349375
where:
bonds (distance) C4'-P energy: -117.631
bonds (distance) P-C4' energy: -104.860
flat angles C4'-P-C4' energy: -135.559
flat angles P-C4'-P energy: -87.323
tors. eta vs tors. theta energy: -172.976
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: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1876.256122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.256122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.256122 (E_RNA)
where:
Base-Base interactions energy: -1274.928
where: short stacking energy: -556.725
Base-Backbone interact. energy: -1.092
local terms energy: -600.236284
where:
bonds (distance) C4'-P energy: -104.097
bonds (distance) P-C4' energy: -122.080
flat angles C4'-P-C4' energy: -127.471
flat angles P-C4'-P energy: -71.306
tors. eta vs tors. theta energy: -175.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1854.712253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.712253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.712253 (E_RNA)
where:
Base-Base interactions energy: -1252.704
where: short stacking energy: -534.575
Base-Backbone interact. energy: -3.714
local terms energy: -598.294135
where:
bonds (distance) C4'-P energy: -119.093
bonds (distance) P-C4' energy: -108.244
flat angles C4'-P-C4' energy: -137.831
flat angles P-C4'-P energy: -74.773
tors. eta vs tors. theta energy: -158.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1759.341444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.341444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.341444 (E_RNA)
where:
Base-Base interactions energy: -1194.494
where: short stacking energy: -501.603
Base-Backbone interact. energy: -3.517
local terms energy: -561.330218
where:
bonds (distance) C4'-P energy: -111.797
bonds (distance) P-C4' energy: -118.201
flat angles C4'-P-C4' energy: -126.810
flat angles P-C4'-P energy: -73.212
tors. eta vs tors. theta energy: -131.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1619.828681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.828681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.828681 (E_RNA)
where:
Base-Base interactions energy: -1085.375
where: short stacking energy: -469.571
Base-Backbone interact. energy: -2.796
local terms energy: -531.656957
where:
bonds (distance) C4'-P energy: -87.448
bonds (distance) P-C4' energy: -115.022
flat angles C4'-P-C4' energy: -118.656
flat angles P-C4'-P energy: -80.014
tors. eta vs tors. theta energy: -130.518
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: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1402.743655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.743655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.743655 (E_RNA)
where:
Base-Base interactions energy: -902.118
where: short stacking energy: -410.419
Base-Backbone interact. energy: -0.495
local terms energy: -500.130780
where:
bonds (distance) C4'-P energy: -91.233
bonds (distance) P-C4' energy: -92.043
flat angles C4'-P-C4' energy: -130.785
flat angles P-C4'-P energy: -76.329
tors. eta vs tors. theta energy: -109.741
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: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1229.944862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.944862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.944862 (E_RNA)
where:
Base-Base interactions energy: -802.201
where: short stacking energy: -361.769
Base-Backbone interact. energy: -3.039
local terms energy: -424.705027
where:
bonds (distance) C4'-P energy: -88.660
bonds (distance) P-C4' energy: -98.009
flat angles C4'-P-C4' energy: -100.247
flat angles P-C4'-P energy: -67.349
tors. eta vs tors. theta energy: -70.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1065.234602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.234602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.234602 (E_RNA)
where:
Base-Base interactions energy: -623.432
where: short stacking energy: -284.255
Base-Backbone interact. energy: -2.908
local terms energy: -438.894869
where:
bonds (distance) C4'-P energy: -95.801
bonds (distance) P-C4' energy: -112.419
flat angles C4'-P-C4' energy: -116.042
flat angles P-C4'-P energy: -71.896
tors. eta vs tors. theta energy: -42.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -794.338424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.338424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.338424 (E_RNA)
where:
Base-Base interactions energy: -415.380
where: short stacking energy: -221.263
Base-Backbone interact. energy: 1.434
local terms energy: -380.392588
where:
bonds (distance) C4'-P energy: -86.690
bonds (distance) P-C4' energy: -97.526
flat angles C4'-P-C4' energy: -94.476
flat angles P-C4'-P energy: -64.333
tors. eta vs tors. theta energy: -37.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -450.065840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.065840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.065840 (E_RNA)
where:
Base-Base interactions energy: -151.650
where: short stacking energy: -131.093
Base-Backbone interact. energy: 3.911
local terms energy: -302.326732
where:
bonds (distance) C4'-P energy: -91.836
bonds (distance) P-C4' energy: -112.096
flat angles C4'-P-C4' energy: -71.070
flat angles P-C4'-P energy: -60.764
tors. eta vs tors. theta energy: 33.438
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: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2047.455047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.455047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.455047 (E_RNA)
where:
Base-Base interactions energy: -1402.023
where: short stacking energy: -588.029
Base-Backbone interact. energy: -6.145
local terms energy: -639.287214
where:
bonds (distance) C4'-P energy: -123.080
bonds (distance) P-C4' energy: -113.202
flat angles C4'-P-C4' energy: -136.362
flat angles P-C4'-P energy: -94.410
tors. eta vs tors. theta energy: -172.233
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: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1855.249775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.249775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.249775 (E_RNA)
where:
Base-Base interactions energy: -1246.837
where: short stacking energy: -555.307
Base-Backbone interact. energy: -2.719
local terms energy: -605.693960
where:
bonds (distance) C4'-P energy: -119.822
bonds (distance) P-C4' energy: -105.244
flat angles C4'-P-C4' energy: -129.824
flat angles P-C4'-P energy: -85.515
tors. eta vs tors. theta energy: -165.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1816.017750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.017750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.017750 (E_RNA)
where:
Base-Base interactions energy: -1220.979
where: short stacking energy: -522.210
Base-Backbone interact. energy: -3.103
local terms energy: -591.935934
where:
bonds (distance) C4'-P energy: -117.671
bonds (distance) P-C4' energy: -101.740
flat angles C4'-P-C4' energy: -127.301
flat angles P-C4'-P energy: -87.041
tors. eta vs tors. theta energy: -158.183
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: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1741.058155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.058155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.058155 (E_RNA)
where:
Base-Base interactions energy: -1168.343
where: short stacking energy: -490.676
Base-Backbone interact. energy: -3.279
local terms energy: -569.436816
where:
bonds (distance) C4'-P energy: -109.465
bonds (distance) P-C4' energy: -106.671
flat angles C4'-P-C4' energy: -120.541
flat angles P-C4'-P energy: -96.153
tors. eta vs tors. theta energy: -136.605
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: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1591.280402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.280402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.280402 (E_RNA)
where:
Base-Base interactions energy: -1061.051
where: short stacking energy: -458.930
Base-Backbone interact. energy: -0.176
local terms energy: -530.053570
where:
bonds (distance) C4'-P energy: -114.646
bonds (distance) P-C4' energy: -102.708
flat angles C4'-P-C4' energy: -114.052
flat angles P-C4'-P energy: -67.364
tors. eta vs tors. theta energy: -131.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1416.308905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.308905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.308905 (E_RNA)
where:
Base-Base interactions energy: -920.448
where: short stacking energy: -411.676
Base-Backbone interact. energy: 0.268
local terms energy: -496.128856
where:
bonds (distance) C4'-P energy: -95.974
bonds (distance) P-C4' energy: -114.726
flat angles C4'-P-C4' energy: -112.896
flat angles P-C4'-P energy: -71.401
tors. eta vs tors. theta energy: -101.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1196.637285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.637285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.637285 (E_RNA)
where:
Base-Base interactions energy: -769.408
where: short stacking energy: -346.653
Base-Backbone interact. energy: 7.376
local terms energy: -434.605172
where:
bonds (distance) C4'-P energy: -86.712
bonds (distance) P-C4' energy: -103.672
flat angles C4'-P-C4' energy: -94.445
flat angles P-C4'-P energy: -87.109
tors. eta vs tors. theta energy: -62.668
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: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1094.232662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.232662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.232662 (E_RNA)
where:
Base-Base interactions energy: -668.234
where: short stacking energy: -313.692
Base-Backbone interact. energy: -0.925
local terms energy: -425.073940
where:
bonds (distance) C4'-P energy: -109.388
bonds (distance) P-C4' energy: -98.436
flat angles C4'-P-C4' energy: -94.881
flat angles P-C4'-P energy: -59.552
tors. eta vs tors. theta energy: -62.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -807.508711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.508711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.508711 (E_RNA)
where:
Base-Base interactions energy: -442.012
where: short stacking energy: -228.502
Base-Backbone interact. energy: 11.065
local terms energy: -376.561524
where:
bonds (distance) C4'-P energy: -87.172
bonds (distance) P-C4' energy: -118.050
flat angles C4'-P-C4' energy: -83.292
flat angles P-C4'-P energy: -53.226
tors. eta vs tors. theta energy: -34.821
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: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -458.986568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.986568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.986568 (E_RNA)
where:
Base-Base interactions energy: -153.147
where: short stacking energy: -121.582
Base-Backbone interact. energy: -4.173
local terms energy: -301.666015
where:
bonds (distance) C4'-P energy: -93.610
bonds (distance) P-C4' energy: -96.797
flat angles C4'-P-C4' energy: -85.923
flat angles P-C4'-P energy: -46.779
tors. eta vs tors. theta energy: 21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2036.478819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.478819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.478819 (E_RNA)
where:
Base-Base interactions energy: -1410.671
where: short stacking energy: -595.510
Base-Backbone interact. energy: -3.041
local terms energy: -622.767550
where:
bonds (distance) C4'-P energy: -127.497
bonds (distance) P-C4' energy: -111.398
flat angles C4'-P-C4' energy: -132.029
flat angles P-C4'-P energy: -75.304
tors. eta vs tors. theta energy: -176.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1872.274138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.274138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.274138 (E_RNA)
where:
Base-Base interactions energy: -1283.981
where: short stacking energy: -529.650
Base-Backbone interact. energy: 0.115
local terms energy: -588.407957
where:
bonds (distance) C4'-P energy: -103.747
bonds (distance) P-C4' energy: -106.079
flat angles C4'-P-C4' energy: -134.718
flat angles P-C4'-P energy: -86.081
tors. eta vs tors. theta energy: -157.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1816.816802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.816802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.816802 (E_RNA)
where:
Base-Base interactions energy: -1217.593
where: short stacking energy: -555.895
Base-Backbone interact. energy: -2.633
local terms energy: -596.590196
where:
bonds (distance) C4'-P energy: -115.526
bonds (distance) P-C4' energy: -111.261
flat angles C4'-P-C4' energy: -125.855
flat angles P-C4'-P energy: -82.552
tors. eta vs tors. theta energy: -161.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1749.199169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.199169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.199169 (E_RNA)
where:
Base-Base interactions energy: -1177.575
where: short stacking energy: -495.027
Base-Backbone interact. energy: 0.066
local terms energy: -571.690523
where:
bonds (distance) C4'-P energy: -108.121
bonds (distance) P-C4' energy: -123.578
flat angles C4'-P-C4' energy: -120.558
flat angles P-C4'-P energy: -82.946
tors. eta vs tors. theta energy: -136.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1587.875728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.875728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.875728 (E_RNA)
where:
Base-Base interactions energy: -1033.538
where: short stacking energy: -446.776
Base-Backbone interact. energy: 1.411
local terms energy: -555.747807
where:
bonds (distance) C4'-P energy: -118.705
bonds (distance) P-C4' energy: -112.066
flat angles C4'-P-C4' energy: -117.456
flat angles P-C4'-P energy: -73.296
tors. eta vs tors. theta energy: -134.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1408.680095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.680095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.680095 (E_RNA)
where:
Base-Base interactions energy: -906.820
where: short stacking energy: -403.914
Base-Backbone interact. energy: 1.604
local terms energy: -503.464415
where:
bonds (distance) C4'-P energy: -99.566
bonds (distance) P-C4' energy: -124.089
flat angles C4'-P-C4' energy: -123.161
flat angles P-C4'-P energy: -59.595
tors. eta vs tors. theta energy: -97.054
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: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1260.992978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.992978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.992978 (E_RNA)
where:
Base-Base interactions energy: -813.840
where: short stacking energy: -371.671
Base-Backbone interact. energy: 0.931
local terms energy: -448.084317
where:
bonds (distance) C4'-P energy: -102.265
bonds (distance) P-C4' energy: -107.214
flat angles C4'-P-C4' energy: -100.329
flat angles P-C4'-P energy: -58.267
tors. eta vs tors. theta energy: -80.011
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: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1101.518403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.518403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.518403 (E_RNA)
where:
Base-Base interactions energy: -684.312
where: short stacking energy: -328.349
Base-Backbone interact. energy: -2.595
local terms energy: -414.611099
where:
bonds (distance) C4'-P energy: -99.798
bonds (distance) P-C4' energy: -100.997
flat angles C4'-P-C4' energy: -102.410
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -59.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -783.651866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.651866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.651866 (E_RNA)
where:
Base-Base interactions energy: -441.272
where: short stacking energy: -217.809
Base-Backbone interact. energy: 5.855
local terms energy: -348.235197
where:
bonds (distance) C4'-P energy: -108.841
bonds (distance) P-C4' energy: -99.481
flat angles C4'-P-C4' energy: -84.369
flat angles P-C4'-P energy: -50.524
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -452.043698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.043698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.043698 (E_RNA)
where:
Base-Base interactions energy: -149.327
where: short stacking energy: -112.043
Base-Backbone interact. energy: -2.387
local terms energy: -300.329870
where:
bonds (distance) C4'-P energy: -101.265
bonds (distance) P-C4' energy: -95.491
flat angles C4'-P-C4' energy: -76.890
flat angles P-C4'-P energy: -55.734
tors. eta vs tors. theta energy: 29.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2052.113373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.113373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.113373 (E_RNA)
where:
Base-Base interactions energy: -1408.467
where: short stacking energy: -588.627
Base-Backbone interact. energy: -3.722
local terms energy: -639.924299
where:
bonds (distance) C4'-P energy: -122.772
bonds (distance) P-C4' energy: -119.781
flat angles C4'-P-C4' energy: -139.173
flat angles P-C4'-P energy: -82.345
tors. eta vs tors. theta energy: -175.853
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: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1899.231323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.231323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.231323 (E_RNA)
where:
Base-Base interactions energy: -1276.678
where: short stacking energy: -563.138
Base-Backbone interact. energy: -2.053
local terms energy: -620.500036
where:
bonds (distance) C4'-P energy: -104.680
bonds (distance) P-C4' energy: -111.276
flat angles C4'-P-C4' energy: -139.045
flat angles P-C4'-P energy: -90.085
tors. eta vs tors. theta energy: -175.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1797.746332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.746332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.746332 (E_RNA)
where:
Base-Base interactions energy: -1218.097
where: short stacking energy: -538.427
Base-Backbone interact. energy: -2.022
local terms energy: -577.626527
where:
bonds (distance) C4'-P energy: -91.634
bonds (distance) P-C4' energy: -114.777
flat angles C4'-P-C4' energy: -127.969
flat angles P-C4'-P energy: -90.447
tors. eta vs tors. theta energy: -152.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1774.765717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.765717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.765717 (E_RNA)
where:
Base-Base interactions energy: -1212.772
where: short stacking energy: -483.899
Base-Backbone interact. energy: -4.073
local terms energy: -557.920695
where:
bonds (distance) C4'-P energy: -106.797
bonds (distance) P-C4' energy: -115.495
flat angles C4'-P-C4' energy: -121.599
flat angles P-C4'-P energy: -82.412
tors. eta vs tors. theta energy: -131.619
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: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1561.794521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.794521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.794521 (E_RNA)
where:
Base-Base interactions energy: -1023.611
where: short stacking energy: -437.100
Base-Backbone interact. energy: -2.313
local terms energy: -535.870403
where:
bonds (distance) C4'-P energy: -101.787
bonds (distance) P-C4' energy: -115.835
flat angles C4'-P-C4' energy: -118.285
flat angles P-C4'-P energy: -80.157
tors. eta vs tors. theta energy: -119.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1391.734006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.734006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.734006 (E_RNA)
where:
Base-Base interactions energy: -894.264
where: short stacking energy: -389.310
Base-Backbone interact. energy: -2.876
local terms energy: -494.594046
where:
bonds (distance) C4'-P energy: -108.261
bonds (distance) P-C4' energy: -100.675
flat angles C4'-P-C4' energy: -120.117
flat angles P-C4'-P energy: -72.712
tors. eta vs tors. theta energy: -92.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1243.740227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.740227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.740227 (E_RNA)
where:
Base-Base interactions energy: -815.356
where: short stacking energy: -362.449
Base-Backbone interact. energy: -0.791
local terms energy: -427.593207
where:
bonds (distance) C4'-P energy: -81.182
bonds (distance) P-C4' energy: -97.474
flat angles C4'-P-C4' energy: -104.198
flat angles P-C4'-P energy: -65.973
tors. eta vs tors. theta energy: -78.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1057.711521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.711521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.711521 (E_RNA)
where:
Base-Base interactions energy: -667.672
where: short stacking energy: -293.581
Base-Backbone interact. energy: 2.629
local terms energy: -392.667753
where:
bonds (distance) C4'-P energy: -100.344
bonds (distance) P-C4' energy: -97.086
flat angles C4'-P-C4' energy: -90.714
flat angles P-C4'-P energy: -58.594
tors. eta vs tors. theta energy: -45.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -862.159459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.159459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.159459 (E_RNA)
where:
Base-Base interactions energy: -506.996
where: short stacking energy: -232.131
Base-Backbone interact. energy: -1.012
local terms energy: -354.151063
where:
bonds (distance) C4'-P energy: -100.390
bonds (distance) P-C4' energy: -94.113
flat angles C4'-P-C4' energy: -91.286
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -19.774
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: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -473.406354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.406354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.406354 (E_RNA)
where:
Base-Base interactions energy: -176.072
where: short stacking energy: -139.785
Base-Backbone interact. energy: 0.238
local terms energy: -297.571600
where:
bonds (distance) C4'-P energy: -77.507
bonds (distance) P-C4' energy: -103.228
flat angles C4'-P-C4' energy: -92.321
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: 11.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2036.305396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.305396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.305396 (E_RNA)
where:
Base-Base interactions energy: -1404.352
where: short stacking energy: -580.300
Base-Backbone interact. energy: -1.377
local terms energy: -630.576542
where:
bonds (distance) C4'-P energy: -118.033
bonds (distance) P-C4' energy: -117.773
flat angles C4'-P-C4' energy: -126.111
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -177.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1885.140202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.140202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.140202 (E_RNA)
where:
Base-Base interactions energy: -1281.811
where: short stacking energy: -546.957
Base-Backbone interact. energy: -0.751
local terms energy: -602.578054
where:
bonds (distance) C4'-P energy: -118.490
bonds (distance) P-C4' energy: -116.189
flat angles C4'-P-C4' energy: -124.498
flat angles P-C4'-P energy: -78.509
tors. eta vs tors. theta energy: -164.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1835.967123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.967123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.967123 (E_RNA)
where:
Base-Base interactions energy: -1264.234
where: short stacking energy: -532.318
Base-Backbone interact. energy: -1.279
local terms energy: -570.454566
where:
bonds (distance) C4'-P energy: -107.638
bonds (distance) P-C4' energy: -118.298
flat angles C4'-P-C4' energy: -117.679
flat angles P-C4'-P energy: -80.103
tors. eta vs tors. theta energy: -146.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1744.712217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.712217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.712217 (E_RNA)
where:
Base-Base interactions energy: -1199.151
where: short stacking energy: -523.612
Base-Backbone interact. energy: -1.192
local terms energy: -544.369394
where:
bonds (distance) C4'-P energy: -110.107
bonds (distance) P-C4' energy: -109.959
flat angles C4'-P-C4' energy: -114.424
flat angles P-C4'-P energy: -70.892
tors. eta vs tors. theta energy: -138.987
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: 217
Temperature: 1.100000
Total energy: -1559.433877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.433877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.433877 (E_RNA)
where:
Base-Base interactions energy: -1045.685
where: short stacking energy: -427.462
Base-Backbone interact. energy: 0.240
local terms energy: -513.988732
where:
bonds (distance) C4'-P energy: -90.279
bonds (distance) P-C4' energy: -105.514
flat angles C4'-P-C4' energy: -122.885
flat angles P-C4'-P energy: -75.784
tors. eta vs tors. theta energy: -119.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1445.163450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.163450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.163450 (E_RNA)
where:
Base-Base interactions energy: -930.603
where: short stacking energy: -425.886
Base-Backbone interact. energy: -2.420
local terms energy: -512.139999
where:
bonds (distance) C4'-P energy: -90.500
bonds (distance) P-C4' energy: -100.087
flat angles C4'-P-C4' energy: -124.453
flat angles P-C4'-P energy: -78.677
tors. eta vs tors. theta energy: -118.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1218.682702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.682702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.682702 (E_RNA)
where:
Base-Base interactions energy: -788.865
where: short stacking energy: -316.483
Base-Backbone interact. energy: -2.037
local terms energy: -427.780363
where:
bonds (distance) C4'-P energy: -86.826
bonds (distance) P-C4' energy: -98.961
flat angles C4'-P-C4' energy: -110.155
flat angles P-C4'-P energy: -63.855
tors. eta vs tors. theta energy: -67.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1074.624773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.624773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.624773 (E_RNA)
where:
Base-Base interactions energy: -673.294
where: short stacking energy: -278.378
Base-Backbone interact. energy: 0.474
local terms energy: -401.804524
where:
bonds (distance) C4'-P energy: -95.192
bonds (distance) P-C4' energy: -103.124
flat angles C4'-P-C4' energy: -108.881
flat angles P-C4'-P energy: -36.137
tors. eta vs tors. theta energy: -58.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -859.003391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.003391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.003391 (E_RNA)
where:
Base-Base interactions energy: -513.396
where: short stacking energy: -228.982
Base-Backbone interact. energy: 5.944
local terms energy: -351.551509
where:
bonds (distance) C4'-P energy: -100.334
bonds (distance) P-C4' energy: -93.225
flat angles C4'-P-C4' energy: -88.743
flat angles P-C4'-P energy: -40.797
tors. eta vs tors. theta energy: -28.453
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: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -486.921181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.921181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.921181 (E_RNA)
where:
Base-Base interactions energy: -211.497
where: short stacking energy: -129.391
Base-Backbone interact. energy: -3.234
local terms energy: -272.190467
where:
bonds (distance) C4'-P energy: -81.174
bonds (distance) P-C4' energy: -97.209
flat angles C4'-P-C4' energy: -71.000
flat angles P-C4'-P energy: -51.497
tors. eta vs tors. theta energy: 28.689
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: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2026.841875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.841875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.841875 (E_RNA)
where:
Base-Base interactions energy: -1397.158
where: short stacking energy: -570.783
Base-Backbone interact. energy: -2.151
local terms energy: -627.533179
where:
bonds (distance) C4'-P energy: -108.207
bonds (distance) P-C4' energy: -127.668
flat angles C4'-P-C4' energy: -129.480
flat angles P-C4'-P energy: -89.093
tors. eta vs tors. theta energy: -173.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1885.137323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.137323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.137323 (E_RNA)
where:
Base-Base interactions energy: -1273.248
where: short stacking energy: -570.555
Base-Backbone interact. energy: -4.817
local terms energy: -607.071993
where:
bonds (distance) C4'-P energy: -112.644
bonds (distance) P-C4' energy: -116.658
flat angles C4'-P-C4' energy: -126.490
flat angles P-C4'-P energy: -87.643
tors. eta vs tors. theta energy: -163.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1859.322974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.322974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.322974 (E_RNA)
where:
Base-Base interactions energy: -1290.905
where: short stacking energy: -566.071
Base-Backbone interact. energy: -0.308
local terms energy: -568.110496
where:
bonds (distance) C4'-P energy: -109.988
bonds (distance) P-C4' energy: -97.609
flat angles C4'-P-C4' energy: -125.968
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: -162.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1769.070007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.070007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.070007 (E_RNA)
where:
Base-Base interactions energy: -1205.704
where: short stacking energy: -487.765
Base-Backbone interact. energy: -1.265
local terms energy: -562.101178
where:
bonds (distance) C4'-P energy: -114.636
bonds (distance) P-C4' energy: -105.989
flat angles C4'-P-C4' energy: -137.142
flat angles P-C4'-P energy: -77.551
tors. eta vs tors. theta energy: -126.783
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: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1486.662663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.662663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.662663 (E_RNA)
where:
Base-Base interactions energy: -995.817
where: short stacking energy: -429.607
Base-Backbone interact. energy: -1.690
local terms energy: -489.155803
where:
bonds (distance) C4'-P energy: -94.713
bonds (distance) P-C4' energy: -91.776
flat angles C4'-P-C4' energy: -113.153
flat angles P-C4'-P energy: -68.562
tors. eta vs tors. theta energy: -120.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1512.668485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.668485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.668485 (E_RNA)
where:
Base-Base interactions energy: -1004.051
where: short stacking energy: -407.558
Base-Backbone interact. energy: -2.713
local terms energy: -505.905323
where:
bonds (distance) C4'-P energy: -104.041
bonds (distance) P-C4' energy: -108.596
flat angles C4'-P-C4' energy: -115.624
flat angles P-C4'-P energy: -70.787
tors. eta vs tors. theta energy: -106.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1206.064207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.064207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.064207 (E_RNA)
where:
Base-Base interactions energy: -767.956
where: short stacking energy: -324.120
Base-Backbone interact. energy: -3.469
local terms energy: -434.639388
where:
bonds (distance) C4'-P energy: -108.996
bonds (distance) P-C4' energy: -89.470
flat angles C4'-P-C4' energy: -110.756
flat angles P-C4'-P energy: -64.934
tors. eta vs tors. theta energy: -60.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -991.965868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.965868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.965868 (E_RNA)
where:
Base-Base interactions energy: -614.498
where: short stacking energy: -298.292
Base-Backbone interact. energy: -0.347
local terms energy: -377.121071
where:
bonds (distance) C4'-P energy: -84.935
bonds (distance) P-C4' energy: -85.290
flat angles C4'-P-C4' energy: -109.922
flat angles P-C4'-P energy: -63.751
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -838.135525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.135525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.135525 (E_RNA)
where:
Base-Base interactions energy: -493.084
where: short stacking energy: -254.446
Base-Backbone interact. energy: 3.729
local terms energy: -348.780373
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -96.243
flat angles C4'-P-C4' energy: -79.377
flat angles P-C4'-P energy: -63.185
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -529.898371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.898371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.898371 (E_RNA)
where:
Base-Base interactions energy: -212.728
where: short stacking energy: -140.313
Base-Backbone interact. energy: -0.076
local terms energy: -317.093955
where:
bonds (distance) C4'-P energy: -101.458
bonds (distance) P-C4' energy: -97.333
flat angles C4'-P-C4' energy: -90.719
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2058.001458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.001458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.001458 (E_RNA)
where:
Base-Base interactions energy: -1432.356
where: short stacking energy: -588.050
Base-Backbone interact. energy: -0.219
local terms energy: -625.425892
where:
bonds (distance) C4'-P energy: -108.932
bonds (distance) P-C4' energy: -126.530
flat angles C4'-P-C4' energy: -131.805
flat angles P-C4'-P energy: -80.916
tors. eta vs tors. theta energy: -177.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1924.985978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.985978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.985978 (E_RNA)
where:
Base-Base interactions energy: -1304.658
where: short stacking energy: -578.966
Base-Backbone interact. energy: -2.433
local terms energy: -617.895117
where:
bonds (distance) C4'-P energy: -101.436
bonds (distance) P-C4' energy: -119.412
flat angles C4'-P-C4' energy: -133.501
flat angles P-C4'-P energy: -89.036
tors. eta vs tors. theta energy: -174.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1852.230590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.230590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.230590 (E_RNA)
where:
Base-Base interactions energy: -1259.794
where: short stacking energy: -530.742
Base-Backbone interact. energy: -1.763
local terms energy: -590.673702
where:
bonds (distance) C4'-P energy: -104.282
bonds (distance) P-C4' energy: -104.357
flat angles C4'-P-C4' energy: -128.713
flat angles P-C4'-P energy: -91.639
tors. eta vs tors. theta energy: -161.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1780.716369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.716369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.716369 (E_RNA)
where:
Base-Base interactions energy: -1225.221
where: short stacking energy: -510.365
Base-Backbone interact. energy: -4.576
local terms energy: -550.919193
where:
bonds (distance) C4'-P energy: -118.968
bonds (distance) P-C4' energy: -94.713
flat angles C4'-P-C4' energy: -115.051
flat angles P-C4'-P energy: -77.869
tors. eta vs tors. theta energy: -144.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1508.065473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.065473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.065473 (E_RNA)
where:
Base-Base interactions energy: -986.142
where: short stacking energy: -453.717
Base-Backbone interact. energy: -2.979
local terms energy: -518.943904
where:
bonds (distance) C4'-P energy: -114.113
bonds (distance) P-C4' energy: -97.213
flat angles C4'-P-C4' energy: -119.847
flat angles P-C4'-P energy: -69.898
tors. eta vs tors. theta energy: -117.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1467.149081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.149081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.149081 (E_RNA)
where:
Base-Base interactions energy: -980.048
where: short stacking energy: -402.102
Base-Backbone interact. energy: -2.307
local terms energy: -484.793654
where:
bonds (distance) C4'-P energy: -86.963
bonds (distance) P-C4' energy: -113.618
flat angles C4'-P-C4' energy: -116.304
flat angles P-C4'-P energy: -70.870
tors. eta vs tors. theta energy: -97.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1221.674293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.674293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.674293 (E_RNA)
where:
Base-Base interactions energy: -810.672
where: short stacking energy: -350.339
Base-Backbone interact. energy: 0.836
local terms energy: -411.838413
where:
bonds (distance) C4'-P energy: -95.463
bonds (distance) P-C4' energy: -93.430
flat angles C4'-P-C4' energy: -106.690
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -71.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -994.766992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.766992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.766992 (E_RNA)
where:
Base-Base interactions energy: -604.785
where: short stacking energy: -246.345
Base-Backbone interact. energy: -4.127
local terms energy: -385.854548
where:
bonds (distance) C4'-P energy: -100.464
bonds (distance) P-C4' energy: -107.427
flat angles C4'-P-C4' energy: -87.554
flat angles P-C4'-P energy: -59.228
tors. eta vs tors. theta energy: -31.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -878.693427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.693427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.693427 (E_RNA)
where:
Base-Base interactions energy: -488.639
where: short stacking energy: -252.220
Base-Backbone interact. energy: 1.697
local terms energy: -391.750588
where:
bonds (distance) C4'-P energy: -103.055
bonds (distance) P-C4' energy: -89.363
flat angles C4'-P-C4' energy: -93.742
flat angles P-C4'-P energy: -60.623
tors. eta vs tors. theta energy: -44.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -494.402561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.402561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.402561 (E_RNA)
where:
Base-Base interactions energy: -195.538
where: short stacking energy: -128.717
Base-Backbone interact. energy: 2.860
local terms energy: -301.724445
where:
bonds (distance) C4'-P energy: -72.513
bonds (distance) P-C4' energy: -105.944
flat angles C4'-P-C4' energy: -90.823
flat angles P-C4'-P energy: -52.452
tors. eta vs tors. theta energy: 20.008
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: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2028.917652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.917652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.917652 (E_RNA)
where:
Base-Base interactions energy: -1380.240
where: short stacking energy: -571.262
Base-Backbone interact. energy: -3.031
local terms energy: -645.646992
where:
bonds (distance) C4'-P energy: -112.055
bonds (distance) P-C4' energy: -119.259
flat angles C4'-P-C4' energy: -139.573
flat angles P-C4'-P energy: -99.593
tors. eta vs tors. theta energy: -175.167
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1904.459338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.459338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.459338 (E_RNA)
where:
Base-Base interactions energy: -1299.755
where: short stacking energy: -553.659
Base-Backbone interact. energy: -4.409
local terms energy: -600.294974
where:
bonds (distance) C4'-P energy: -120.358
bonds (distance) P-C4' energy: -105.129
flat angles C4'-P-C4' energy: -134.103
flat angles P-C4'-P energy: -75.281
tors. eta vs tors. theta energy: -165.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1906.517115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.517115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.517115 (E_RNA)
where:
Base-Base interactions energy: -1314.317
where: short stacking energy: -578.865
Base-Backbone interact. energy: -1.679
local terms energy: -590.520497
where:
bonds (distance) C4'-P energy: -119.262
bonds (distance) P-C4' energy: -98.821
flat angles C4'-P-C4' energy: -124.461
flat angles P-C4'-P energy: -79.109
tors. eta vs tors. theta energy: -168.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1773.587306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.587306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.587306 (E_RNA)
where:
Base-Base interactions energy: -1219.121
where: short stacking energy: -501.602
Base-Backbone interact. energy: -3.714
local terms energy: -550.752858
where:
bonds (distance) C4'-P energy: -101.603
bonds (distance) P-C4' energy: -112.384
flat angles C4'-P-C4' energy: -117.652
flat angles P-C4'-P energy: -69.348
tors. eta vs tors. theta energy: -149.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1513.967362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.967362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.967362 (E_RNA)
where:
Base-Base interactions energy: -993.956
where: short stacking energy: -455.197
Base-Backbone interact. energy: -1.321
local terms energy: -518.690972
where:
bonds (distance) C4'-P energy: -103.948
bonds (distance) P-C4' energy: -124.324
flat angles C4'-P-C4' energy: -103.027
flat angles P-C4'-P energy: -70.652
tors. eta vs tors. theta energy: -116.740
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: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1501.281317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.281317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.281317 (E_RNA)
where:
Base-Base interactions energy: -999.826
where: short stacking energy: -426.459
Base-Backbone interact. energy: -0.272
local terms energy: -501.183009
where:
bonds (distance) C4'-P energy: -109.001
bonds (distance) P-C4' energy: -113.361
flat angles C4'-P-C4' energy: -97.079
flat angles P-C4'-P energy: -70.261
tors. eta vs tors. theta energy: -111.480
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: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1258.885124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.885124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.885124 (E_RNA)
where:
Base-Base interactions energy: -795.774
where: short stacking energy: -333.714
Base-Backbone interact. energy: -1.403
local terms energy: -461.708180
where:
bonds (distance) C4'-P energy: -108.588
bonds (distance) P-C4' energy: -95.895
flat angles C4'-P-C4' energy: -111.350
flat angles P-C4'-P energy: -84.211
tors. eta vs tors. theta energy: -61.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1135.212395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.212395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.212395 (E_RNA)
where:
Base-Base interactions energy: -722.355
where: short stacking energy: -343.417
Base-Backbone interact. energy: -1.297
local terms energy: -411.560024
where:
bonds (distance) C4'-P energy: -92.971
bonds (distance) P-C4' energy: -88.871
flat angles C4'-P-C4' energy: -101.769
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: -65.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -860.521182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.521182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.521182 (E_RNA)
where:
Base-Base interactions energy: -473.966
where: short stacking energy: -238.309
Base-Backbone interact. energy: 3.194
local terms energy: -389.749677
where:
bonds (distance) C4'-P energy: -97.440
bonds (distance) P-C4' energy: -94.897
flat angles C4'-P-C4' energy: -87.672
flat angles P-C4'-P energy: -76.231
tors. eta vs tors. theta energy: -33.509
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: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -462.486665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.486665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.486665 (E_RNA)
where:
Base-Base interactions energy: -157.581
where: short stacking energy: -117.721
Base-Backbone interact. energy: 5.831
local terms energy: -310.737210
where:
bonds (distance) C4'-P energy: -83.703
bonds (distance) P-C4' energy: -121.837
flat angles C4'-P-C4' energy: -83.643
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: 15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2024.365231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.365231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.365231 (E_RNA)
where:
Base-Base interactions energy: -1399.729
where: short stacking energy: -582.937
Base-Backbone interact. energy: -1.834
local terms energy: -622.802669
where:
bonds (distance) C4'-P energy: -118.727
bonds (distance) P-C4' energy: -106.927
flat angles C4'-P-C4' energy: -141.046
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -176.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1916.135736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.135736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.135736 (E_RNA)
where:
Base-Base interactions energy: -1295.536
where: short stacking energy: -547.103
Base-Backbone interact. energy: -1.776
local terms energy: -618.823973
where:
bonds (distance) C4'-P energy: -119.051
bonds (distance) P-C4' energy: -113.462
flat angles C4'-P-C4' energy: -134.637
flat angles P-C4'-P energy: -93.056
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: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1839.198985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.198985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.198985 (E_RNA)
where:
Base-Base interactions energy: -1228.536
where: short stacking energy: -535.880
Base-Backbone interact. energy: -3.103
local terms energy: -607.560107
where:
bonds (distance) C4'-P energy: -108.999
bonds (distance) P-C4' energy: -117.343
flat angles C4'-P-C4' energy: -128.839
flat angles P-C4'-P energy: -90.936
tors. eta vs tors. theta energy: -161.443
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: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1744.777486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.777486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.777486 (E_RNA)
where:
Base-Base interactions energy: -1192.589
where: short stacking energy: -521.366
Base-Backbone interact. energy: -3.257
local terms energy: -548.931480
where:
bonds (distance) C4'-P energy: -111.744
bonds (distance) P-C4' energy: -105.766
flat angles C4'-P-C4' energy: -120.792
flat angles P-C4'-P energy: -77.053
tors. eta vs tors. theta energy: -133.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1490.590317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.590317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.590317 (E_RNA)
where:
Base-Base interactions energy: -960.082
where: short stacking energy: -424.383
Base-Backbone interact. energy: -2.065
local terms energy: -528.442723
where:
bonds (distance) C4'-P energy: -95.571
bonds (distance) P-C4' energy: -115.011
flat angles C4'-P-C4' energy: -124.791
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -113.281
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: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1537.559890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.559890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.559890 (E_RNA)
where:
Base-Base interactions energy: -1037.879
where: short stacking energy: -452.747
Base-Backbone interact. energy: -0.453
local terms energy: -499.227841
where:
bonds (distance) C4'-P energy: -99.724
bonds (distance) P-C4' energy: -94.527
flat angles C4'-P-C4' energy: -118.322
flat angles P-C4'-P energy: -65.605
tors. eta vs tors. theta energy: -121.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1195.161695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.161695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.161695 (E_RNA)
where:
Base-Base interactions energy: -747.226
where: short stacking energy: -316.078
Base-Backbone interact. energy: 0.963
local terms energy: -448.898742
where:
bonds (distance) C4'-P energy: -106.173
bonds (distance) P-C4' energy: -106.908
flat angles C4'-P-C4' energy: -106.351
flat angles P-C4'-P energy: -67.415
tors. eta vs tors. theta energy: -62.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1096.230391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.230391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.230391 (E_RNA)
where:
Base-Base interactions energy: -675.081
where: short stacking energy: -315.456
Base-Backbone interact. energy: 5.252
local terms energy: -426.401558
where:
bonds (distance) C4'-P energy: -101.263
bonds (distance) P-C4' energy: -96.662
flat angles C4'-P-C4' energy: -92.799
flat angles P-C4'-P energy: -67.307
tors. eta vs tors. theta energy: -68.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -895.120266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.120266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.120266 (E_RNA)
where:
Base-Base interactions energy: -500.388
where: short stacking energy: -251.377
Base-Backbone interact. energy: -0.150
local terms energy: -394.582401
where:
bonds (distance) C4'-P energy: -108.124
bonds (distance) P-C4' energy: -114.982
flat angles C4'-P-C4' energy: -102.275
flat angles P-C4'-P energy: -46.819
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -451.666475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.666475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.666475 (E_RNA)
where:
Base-Base interactions energy: -146.959
where: short stacking energy: -111.781
Base-Backbone interact. energy: 0.399
local terms energy: -305.107050
where:
bonds (distance) C4'-P energy: -95.075
bonds (distance) P-C4' energy: -110.218
flat angles C4'-P-C4' energy: -64.252
flat angles P-C4'-P energy: -51.941
tors. eta vs tors. theta energy: 16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2046.559753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.559753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.559753 (E_RNA)
where:
Base-Base interactions energy: -1415.553
where: short stacking energy: -596.240
Base-Backbone interact. energy: -7.004
local terms energy: -624.002211
where:
bonds (distance) C4'-P energy: -111.530
bonds (distance) P-C4' energy: -115.707
flat angles C4'-P-C4' energy: -135.701
flat angles P-C4'-P energy: -84.952
tors. eta vs tors. theta energy: -176.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1931.719434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.719434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.719434 (E_RNA)
where:
Base-Base interactions energy: -1315.189
where: short stacking energy: -564.868
Base-Backbone interact. energy: -2.194
local terms energy: -614.336959
where:
bonds (distance) C4'-P energy: -121.026
bonds (distance) P-C4' energy: -111.597
flat angles C4'-P-C4' energy: -125.413
flat angles P-C4'-P energy: -85.535
tors. eta vs tors. theta energy: -170.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1837.531142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.531142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.531142 (E_RNA)
where:
Base-Base interactions energy: -1252.559
where: short stacking energy: -552.072
Base-Backbone interact. energy: 0.073
local terms energy: -585.044820
where:
bonds (distance) C4'-P energy: -110.117
bonds (distance) P-C4' energy: -105.645
flat angles C4'-P-C4' energy: -129.533
flat angles P-C4'-P energy: -73.979
tors. eta vs tors. theta energy: -165.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1747.656464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.656464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.656464 (E_RNA)
where:
Base-Base interactions energy: -1209.347
where: short stacking energy: -480.021
Base-Backbone interact. energy: -2.790
local terms energy: -535.519223
where:
bonds (distance) C4'-P energy: -109.169
bonds (distance) P-C4' energy: -113.469
flat angles C4'-P-C4' energy: -114.583
flat angles P-C4'-P energy: -71.141
tors. eta vs tors. theta energy: -127.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1469.389957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.389957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.389957 (E_RNA)
where:
Base-Base interactions energy: -963.273
where: short stacking energy: -433.049
Base-Backbone interact. energy: -3.801
local terms energy: -502.316109
where:
bonds (distance) C4'-P energy: -104.594
bonds (distance) P-C4' energy: -103.790
flat angles C4'-P-C4' energy: -105.812
flat angles P-C4'-P energy: -76.667
tors. eta vs tors. theta energy: -111.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1488.112198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.112198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.112198 (E_RNA)
where:
Base-Base interactions energy: -999.451
where: short stacking energy: -439.868
Base-Backbone interact. energy: 0.722
local terms energy: -489.382664
where:
bonds (distance) C4'-P energy: -96.258
bonds (distance) P-C4' energy: -100.826
flat angles C4'-P-C4' energy: -98.848
flat angles P-C4'-P energy: -75.635
tors. eta vs tors. theta energy: -117.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1182.727662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.727662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.727662 (E_RNA)
where:
Base-Base interactions energy: -732.920
where: short stacking energy: -312.131
Base-Backbone interact. energy: -1.671
local terms energy: -448.136061
where:
bonds (distance) C4'-P energy: -86.532
bonds (distance) P-C4' energy: -98.700
flat angles C4'-P-C4' energy: -105.680
flat angles P-C4'-P energy: -84.833
tors. eta vs tors. theta energy: -72.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1027.844999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.844999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.844999 (E_RNA)
where:
Base-Base interactions energy: -652.564
where: short stacking energy: -307.872
Base-Backbone interact. energy: -2.023
local terms energy: -373.257745
where:
bonds (distance) C4'-P energy: -88.308
bonds (distance) P-C4' energy: -88.192
flat angles C4'-P-C4' energy: -93.159
flat angles P-C4'-P energy: -56.000
tors. eta vs tors. theta energy: -47.599
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: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -881.155418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.155418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.155418 (E_RNA)
where:
Base-Base interactions energy: -502.999
where: short stacking energy: -236.943
Base-Backbone interact. energy: 0.233
local terms energy: -378.389198
where:
bonds (distance) C4'-P energy: -102.141
bonds (distance) P-C4' energy: -100.294
flat angles C4'-P-C4' energy: -81.390
flat angles P-C4'-P energy: -57.924
tors. eta vs tors. theta energy: -36.640
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: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -480.070681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.070681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.070681 (E_RNA)
where:
Base-Base interactions energy: -166.911
where: short stacking energy: -116.613
Base-Backbone interact. energy: 2.667
local terms energy: -315.827065
where:
bonds (distance) C4'-P energy: -104.721
bonds (distance) P-C4' energy: -107.529
flat angles C4'-P-C4' energy: -95.987
flat angles P-C4'-P energy: -36.241
tors. eta vs tors. theta energy: 28.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2035.514369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.514369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.514369 (E_RNA)
where:
Base-Base interactions energy: -1418.959
where: short stacking energy: -578.346
Base-Backbone interact. energy: 1.368
local terms energy: -617.923738
where:
bonds (distance) C4'-P energy: -107.518
bonds (distance) P-C4' energy: -113.091
flat angles C4'-P-C4' energy: -135.357
flat angles P-C4'-P energy: -87.911
tors. eta vs tors. theta energy: -174.048
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1919.292360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.292360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.292360 (E_RNA)
where:
Base-Base interactions energy: -1296.213
where: short stacking energy: -547.565
Base-Backbone interact. energy: -1.473
local terms energy: -621.606317
where:
bonds (distance) C4'-P energy: -113.534
bonds (distance) P-C4' energy: -132.375
flat angles C4'-P-C4' energy: -128.031
flat angles P-C4'-P energy: -81.283
tors. eta vs tors. theta energy: -166.384
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: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1889.372852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.372852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.372852 (E_RNA)
where:
Base-Base interactions energy: -1278.816
where: short stacking energy: -536.370
Base-Backbone interact. energy: -1.781
local terms energy: -608.775786
where:
bonds (distance) C4'-P energy: -117.344
bonds (distance) P-C4' energy: -114.463
flat angles C4'-P-C4' energy: -124.155
flat angles P-C4'-P energy: -83.877
tors. eta vs tors. theta energy: -168.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1766.750400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.750400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.750400 (E_RNA)
where:
Base-Base interactions energy: -1223.377
where: short stacking energy: -469.708
Base-Backbone interact. energy: -0.412
local terms energy: -542.962151
where:
bonds (distance) C4'-P energy: -108.469
bonds (distance) P-C4' energy: -107.868
flat angles C4'-P-C4' energy: -108.332
flat angles P-C4'-P energy: -80.081
tors. eta vs tors. theta energy: -138.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1496.772600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.772600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.772600 (E_RNA)
where:
Base-Base interactions energy: -956.889
where: short stacking energy: -446.836
Base-Backbone interact. energy: -1.279
local terms energy: -538.604069
where:
bonds (distance) C4'-P energy: -109.601
bonds (distance) P-C4' energy: -99.961
flat angles C4'-P-C4' energy: -118.953
flat angles P-C4'-P energy: -74.777
tors. eta vs tors. theta energy: -135.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1450.505321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.505321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.505321 (E_RNA)
where:
Base-Base interactions energy: -992.462
where: short stacking energy: -417.601
Base-Backbone interact. energy: -0.560
local terms energy: -457.483910
where:
bonds (distance) C4'-P energy: -67.666
bonds (distance) P-C4' energy: -102.278
flat angles C4'-P-C4' energy: -110.513
flat angles P-C4'-P energy: -75.176
tors. eta vs tors. theta energy: -101.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1231.451906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.451906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.451906 (E_RNA)
where:
Base-Base interactions energy: -764.338
where: short stacking energy: -328.009
Base-Backbone interact. energy: 0.324
local terms energy: -467.438600
where:
bonds (distance) C4'-P energy: -104.074
bonds (distance) P-C4' energy: -109.813
flat angles C4'-P-C4' energy: -104.874
flat angles P-C4'-P energy: -82.497
tors. eta vs tors. theta energy: -66.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -975.110280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.110280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.110280 (E_RNA)
where:
Base-Base interactions energy: -579.950
where: short stacking energy: -263.384
Base-Backbone interact. energy: -2.560
local terms energy: -392.600051
where:
bonds (distance) C4'-P energy: -88.236
bonds (distance) P-C4' energy: -108.438
flat angles C4'-P-C4' energy: -80.571
flat angles P-C4'-P energy: -62.544
tors. eta vs tors. theta energy: -52.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -871.466819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.466819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.466819 (E_RNA)
where:
Base-Base interactions energy: -535.857
where: short stacking energy: -243.551
Base-Backbone interact. energy: -1.292
local terms energy: -334.317851
where:
bonds (distance) C4'-P energy: -79.537
bonds (distance) P-C4' energy: -92.491
flat angles C4'-P-C4' energy: -76.869
flat angles P-C4'-P energy: -59.637
tors. eta vs tors. theta energy: -25.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -485.941761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.941761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.941761 (E_RNA)
where:
Base-Base interactions energy: -177.506
where: short stacking energy: -146.596
Base-Backbone interact. energy: 0.971
local terms energy: -309.406629
where:
bonds (distance) C4'-P energy: -95.548
bonds (distance) P-C4' energy: -109.099
flat angles C4'-P-C4' energy: -92.200
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: 20.559
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: 224
Temperature: 0.900000
Total energy: -2049.383790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.383790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.383790 (E_RNA)
where:
Base-Base interactions energy: -1414.610
where: short stacking energy: -584.228
Base-Backbone interact. energy: 1.027
local terms energy: -635.800730
where:
bonds (distance) C4'-P energy: -123.127
bonds (distance) P-C4' energy: -109.895
flat angles C4'-P-C4' energy: -136.469
flat angles P-C4'-P energy: -88.424
tors. eta vs tors. theta energy: -177.885
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1931.487312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.487312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.487312 (E_RNA)
where:
Base-Base interactions energy: -1325.311
where: short stacking energy: -557.786
Base-Backbone interact. energy: 0.944
local terms energy: -607.120343
where:
bonds (distance) C4'-P energy: -112.835
bonds (distance) P-C4' energy: -123.506
flat angles C4'-P-C4' energy: -126.254
flat angles P-C4'-P energy: -71.948
tors. eta vs tors. theta energy: -172.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1857.637227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.637227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.637227 (E_RNA)
where:
Base-Base interactions energy: -1276.936
where: short stacking energy: -529.246
Base-Backbone interact. energy: -2.995
local terms energy: -577.706137
where:
bonds (distance) C4'-P energy: -90.682
bonds (distance) P-C4' energy: -110.600
flat angles C4'-P-C4' energy: -125.789
flat angles P-C4'-P energy: -86.573
tors. eta vs tors. theta energy: -164.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1790.370400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.370400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.370400 (E_RNA)
where:
Base-Base interactions energy: -1187.624
where: short stacking energy: -512.646
Base-Backbone interact. energy: -2.721
local terms energy: -600.025145
where:
bonds (distance) C4'-P energy: -131.982
bonds (distance) P-C4' energy: -103.182
flat angles C4'-P-C4' energy: -134.811
flat angles P-C4'-P energy: -78.032
tors. eta vs tors. theta energy: -152.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1473.321463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.321463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.321463 (E_RNA)
where:
Base-Base interactions energy: -962.196
where: short stacking energy: -438.104
Base-Backbone interact. energy: 0.182
local terms energy: -511.306774
where:
bonds (distance) C4'-P energy: -103.023
bonds (distance) P-C4' energy: -109.054
flat angles C4'-P-C4' energy: -128.248
flat angles P-C4'-P energy: -55.379
tors. eta vs tors. theta energy: -115.602
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: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1396.688341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.688341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.688341 (E_RNA)
where:
Base-Base interactions energy: -902.225
where: short stacking energy: -416.024
Base-Backbone interact. energy: 0.163
local terms energy: -494.625928
where:
bonds (distance) C4'-P energy: -98.174
bonds (distance) P-C4' energy: -104.055
flat angles C4'-P-C4' energy: -110.832
flat angles P-C4'-P energy: -66.143
tors. eta vs tors. theta energy: -115.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1290.997429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.997429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.997429 (E_RNA)
where:
Base-Base interactions energy: -853.427
where: short stacking energy: -374.393
Base-Backbone interact. energy: 1.953
local terms energy: -439.522985
where:
bonds (distance) C4'-P energy: -86.473
bonds (distance) P-C4' energy: -102.875
flat angles C4'-P-C4' energy: -112.218
flat angles P-C4'-P energy: -67.681
tors. eta vs tors. theta energy: -70.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -972.775977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.775977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.775977 (E_RNA)
where:
Base-Base interactions energy: -579.945
where: short stacking energy: -273.252
Base-Backbone interact. energy: 4.300
local terms energy: -397.131194
where:
bonds (distance) C4'-P energy: -105.474
bonds (distance) P-C4' energy: -109.279
flat angles C4'-P-C4' energy: -98.466
flat angles P-C4'-P energy: -40.645
tors. eta vs tors. theta energy: -43.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -833.703802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.703802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.703802 (E_RNA)
where:
Base-Base interactions energy: -458.283
where: short stacking energy: -234.286
Base-Backbone interact. energy: -2.246
local terms energy: -373.175438
where:
bonds (distance) C4'-P energy: -92.114
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -100.516
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -30.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -494.677354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.677354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.677354 (E_RNA)
where:
Base-Base interactions energy: -201.313
where: short stacking energy: -147.839
Base-Backbone interact. energy: 4.936
local terms energy: -298.300991
where:
bonds (distance) C4'-P energy: -84.519
bonds (distance) P-C4' energy: -104.393
flat angles C4'-P-C4' energy: -75.681
flat angles P-C4'-P energy: -52.135
tors. eta vs tors. theta energy: 18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2027.059922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.059922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.059922 (E_RNA)
where:
Base-Base interactions energy: -1418.215
where: short stacking energy: -577.696
Base-Backbone interact. energy: -1.449
local terms energy: -607.395143
where:
bonds (distance) C4'-P energy: -107.777
bonds (distance) P-C4' energy: -116.062
flat angles C4'-P-C4' energy: -125.438
flat angles P-C4'-P energy: -92.244
tors. eta vs tors. theta energy: -165.875
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: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1932.824843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.824843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.824843 (E_RNA)
where:
Base-Base interactions energy: -1319.565
where: short stacking energy: -582.767
Base-Backbone interact. energy: 0.376
local terms energy: -613.635302
where:
bonds (distance) C4'-P energy: -110.526
bonds (distance) P-C4' energy: -118.970
flat angles C4'-P-C4' energy: -130.930
flat angles P-C4'-P energy: -77.601
tors. eta vs tors. theta energy: -175.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1877.562836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.562836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.562836 (E_RNA)
where:
Base-Base interactions energy: -1288.673
where: short stacking energy: -543.524
Base-Backbone interact. energy: 0.354
local terms energy: -589.243717
where:
bonds (distance) C4'-P energy: -107.549
bonds (distance) P-C4' energy: -107.553
flat angles C4'-P-C4' energy: -126.429
flat angles P-C4'-P energy: -80.718
tors. eta vs tors. theta energy: -166.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1752.906845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.906845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.906845 (E_RNA)
where:
Base-Base interactions energy: -1217.840
where: short stacking energy: -489.733
Base-Backbone interact. energy: -0.849
local terms energy: -534.217592
where:
bonds (distance) C4'-P energy: -107.310
bonds (distance) P-C4' energy: -111.992
flat angles C4'-P-C4' energy: -115.171
flat angles P-C4'-P energy: -74.251
tors. eta vs tors. theta energy: -125.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1495.155905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.155905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.155905 (E_RNA)
where:
Base-Base interactions energy: -995.817
where: short stacking energy: -415.851
Base-Backbone interact. energy: -1.831
local terms energy: -497.508029
where:
bonds (distance) C4'-P energy: -98.104
bonds (distance) P-C4' energy: -121.838
flat angles C4'-P-C4' energy: -99.013
flat angles P-C4'-P energy: -60.776
tors. eta vs tors. theta energy: -117.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1402.326881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.326881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.326881 (E_RNA)
where:
Base-Base interactions energy: -873.718
where: short stacking energy: -400.844
Base-Backbone interact. energy: -1.752
local terms energy: -526.857106
where:
bonds (distance) C4'-P energy: -114.056
bonds (distance) P-C4' energy: -117.724
flat angles C4'-P-C4' energy: -112.302
flat angles P-C4'-P energy: -75.786
tors. eta vs tors. theta energy: -106.989
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: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1198.953428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.953428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.953428 (E_RNA)
where:
Base-Base interactions energy: -768.129
where: short stacking energy: -331.148
Base-Backbone interact. energy: 1.127
local terms energy: -431.951482
where:
bonds (distance) C4'-P energy: -95.159
bonds (distance) P-C4' energy: -107.500
flat angles C4'-P-C4' energy: -98.084
flat angles P-C4'-P energy: -66.184
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: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -974.584525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.584525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.584525 (E_RNA)
where:
Base-Base interactions energy: -578.393
where: short stacking energy: -267.727
Base-Backbone interact. energy: -2.960
local terms energy: -393.231216
where:
bonds (distance) C4'-P energy: -98.220
bonds (distance) P-C4' energy: -94.287
flat angles C4'-P-C4' energy: -98.113
flat angles P-C4'-P energy: -58.808
tors. eta vs tors. theta energy: -43.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -772.117873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.117873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.117873 (E_RNA)
where:
Base-Base interactions energy: -411.970
where: short stacking energy: -216.868
Base-Backbone interact. energy: -0.426
local terms energy: -359.722319
where:
bonds (distance) C4'-P energy: -89.545
bonds (distance) P-C4' energy: -98.710
flat angles C4'-P-C4' energy: -80.436
flat angles P-C4'-P energy: -63.440
tors. eta vs tors. theta energy: -27.591
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: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -533.089652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.089652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.089652 (E_RNA)
where:
Base-Base interactions energy: -225.861
where: short stacking energy: -146.290
Base-Backbone interact. energy: -1.334
local terms energy: -305.894183
where:
bonds (distance) C4'-P energy: -94.930
bonds (distance) P-C4' energy: -91.416
flat angles C4'-P-C4' energy: -77.739
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: 3.603
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: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1956.103058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.103058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.103058 (E_RNA)
where:
Base-Base interactions energy: -1312.881
where: short stacking energy: -556.823
Base-Backbone interact. energy: -2.740
local terms energy: -640.481471
where:
bonds (distance) C4'-P energy: -120.048
bonds (distance) P-C4' energy: -122.892
flat angles C4'-P-C4' energy: -133.556
flat angles P-C4'-P energy: -93.442
tors. eta vs tors. theta energy: -170.543
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: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1973.458155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.458155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.458155 (E_RNA)
where:
Base-Base interactions energy: -1357.289
where: short stacking energy: -576.309
Base-Backbone interact. energy: -1.489
local terms energy: -614.680128
where:
bonds (distance) C4'-P energy: -115.415
bonds (distance) P-C4' energy: -105.605
flat angles C4'-P-C4' energy: -132.799
flat angles P-C4'-P energy: -89.103
tors. eta vs tors. theta energy: -171.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1865.342698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.342698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.342698 (E_RNA)
where:
Base-Base interactions energy: -1264.609
where: short stacking energy: -560.955
Base-Backbone interact. energy: -0.477
local terms energy: -600.256559
where:
bonds (distance) C4'-P energy: -114.061
bonds (distance) P-C4' energy: -115.166
flat angles C4'-P-C4' energy: -131.549
flat angles P-C4'-P energy: -70.725
tors. eta vs tors. theta energy: -168.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1767.912463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.912463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.912463 (E_RNA)
where:
Base-Base interactions energy: -1196.952
where: short stacking energy: -510.956
Base-Backbone interact. energy: -2.260
local terms energy: -568.700741
where:
bonds (distance) C4'-P energy: -109.581
bonds (distance) P-C4' energy: -104.135
flat angles C4'-P-C4' energy: -123.221
flat angles P-C4'-P energy: -91.051
tors. eta vs tors. theta energy: -140.713
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: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1535.212913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.212913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.212913 (E_RNA)
where:
Base-Base interactions energy: -1009.514
where: short stacking energy: -446.798
Base-Backbone interact. energy: -0.861
local terms energy: -524.838103
where:
bonds (distance) C4'-P energy: -100.612
bonds (distance) P-C4' energy: -111.021
flat angles C4'-P-C4' energy: -114.049
flat angles P-C4'-P energy: -77.983
tors. eta vs tors. theta energy: -121.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1449.936802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.936802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.936802 (E_RNA)
where:
Base-Base interactions energy: -937.083
where: short stacking energy: -423.919
Base-Backbone interact. energy: -1.813
local terms energy: -511.040792
where:
bonds (distance) C4'-P energy: -106.350
bonds (distance) P-C4' energy: -113.284
flat angles C4'-P-C4' energy: -117.097
flat angles P-C4'-P energy: -64.211
tors. eta vs tors. theta energy: -110.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1265.938750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.938750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.938750 (E_RNA)
where:
Base-Base interactions energy: -788.782
where: short stacking energy: -344.859
Base-Backbone interact. energy: -1.383
local terms energy: -475.773827
where:
bonds (distance) C4'-P energy: -110.020
bonds (distance) P-C4' energy: -109.676
flat angles C4'-P-C4' energy: -106.340
flat angles P-C4'-P energy: -69.007
tors. eta vs tors. theta energy: -80.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1008.170795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.170795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.170795 (E_RNA)
where:
Base-Base interactions energy: -606.408
where: short stacking energy: -307.874
Base-Backbone interact. energy: -1.685
local terms energy: -400.077981
where:
bonds (distance) C4'-P energy: -78.919
bonds (distance) P-C4' energy: -113.349
flat angles C4'-P-C4' energy: -96.403
flat angles P-C4'-P energy: -69.110
tors. eta vs tors. theta energy: -42.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -802.120655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.120655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.120655 (E_RNA)
where:
Base-Base interactions energy: -436.047
where: short stacking energy: -255.237
Base-Backbone interact. energy: -4.323
local terms energy: -361.750495
where:
bonds (distance) C4'-P energy: -87.769
bonds (distance) P-C4' energy: -95.907
flat angles C4'-P-C4' energy: -96.417
flat angles P-C4'-P energy: -56.860
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -560.350252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.350252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.350252 (E_RNA)
where:
Base-Base interactions energy: -234.921
where: short stacking energy: -160.560
Base-Backbone interact. energy: -0.009
local terms energy: -325.419612
where:
bonds (distance) C4'-P energy: -76.105
bonds (distance) P-C4' energy: -97.129
flat angles C4'-P-C4' energy: -99.668
flat angles P-C4'-P energy: -49.481
tors. eta vs tors. theta energy: -3.038
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: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1948.869812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.869812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.869812 (E_RNA)
where:
Base-Base interactions energy: -1331.679
where: short stacking energy: -589.452
Base-Backbone interact. energy: -2.360
local terms energy: -614.830315
where:
bonds (distance) C4'-P energy: -112.675
bonds (distance) P-C4' energy: -118.238
flat angles C4'-P-C4' energy: -129.061
flat angles P-C4'-P energy: -90.157
tors. eta vs tors. theta energy: -164.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1977.898240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.898240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.898240 (E_RNA)
where:
Base-Base interactions energy: -1382.972
where: short stacking energy: -586.192
Base-Backbone interact. energy: -0.261
local terms energy: -594.665371
where:
bonds (distance) C4'-P energy: -109.307
bonds (distance) P-C4' energy: -105.742
flat angles C4'-P-C4' energy: -120.311
flat angles P-C4'-P energy: -82.977
tors. eta vs tors. theta energy: -176.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1863.611191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.611191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.611191 (E_RNA)
where:
Base-Base interactions energy: -1246.569
where: short stacking energy: -553.733
Base-Backbone interact. energy: -1.167
local terms energy: -615.874936
where:
bonds (distance) C4'-P energy: -115.002
bonds (distance) P-C4' energy: -109.978
flat angles C4'-P-C4' energy: -125.811
flat angles P-C4'-P energy: -86.933
tors. eta vs tors. theta energy: -178.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1794.248979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.248979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.248979 (E_RNA)
where:
Base-Base interactions energy: -1246.834
where: short stacking energy: -499.762
Base-Backbone interact. energy: -2.609
local terms energy: -544.806729
where:
bonds (distance) C4'-P energy: -114.532
bonds (distance) P-C4' energy: -89.185
flat angles C4'-P-C4' energy: -118.572
flat angles P-C4'-P energy: -82.207
tors. eta vs tors. theta energy: -140.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1564.654466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.654466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.654466 (E_RNA)
where:
Base-Base interactions energy: -1040.168
where: short stacking energy: -455.371
Base-Backbone interact. energy: -0.618
local terms energy: -523.867838
where:
bonds (distance) C4'-P energy: -94.282
bonds (distance) P-C4' energy: -110.768
flat angles C4'-P-C4' energy: -114.740
flat angles P-C4'-P energy: -83.753
tors. eta vs tors. theta energy: -120.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1456.664303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.664303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.664303 (E_RNA)
where:
Base-Base interactions energy: -949.261
where: short stacking energy: -413.268
Base-Backbone interact. energy: -0.669
local terms energy: -506.734198
where:
bonds (distance) C4'-P energy: -109.421
bonds (distance) P-C4' energy: -102.316
flat angles C4'-P-C4' energy: -109.546
flat angles P-C4'-P energy: -69.585
tors. eta vs tors. theta energy: -115.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1265.901356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.901356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.901356 (E_RNA)
where:
Base-Base interactions energy: -809.412
where: short stacking energy: -350.540
Base-Backbone interact. energy: -1.052
local terms energy: -455.437664
where:
bonds (distance) C4'-P energy: -83.959
bonds (distance) P-C4' energy: -110.606
flat angles C4'-P-C4' energy: -97.106
flat angles P-C4'-P energy: -77.085
tors. eta vs tors. theta energy: -86.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1021.620071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.620071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.620071 (E_RNA)
where:
Base-Base interactions energy: -606.221
where: short stacking energy: -276.004
Base-Backbone interact. energy: -1.902
local terms energy: -413.497499
where:
bonds (distance) C4'-P energy: -104.993
bonds (distance) P-C4' energy: -97.142
flat angles C4'-P-C4' energy: -98.805
flat angles P-C4'-P energy: -70.820
tors. eta vs tors. theta energy: -41.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -810.140135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.140135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.140135 (E_RNA)
where:
Base-Base interactions energy: -421.715
where: short stacking energy: -230.577
Base-Backbone interact. energy: -0.234
local terms energy: -388.191121
where:
bonds (distance) C4'-P energy: -103.606
bonds (distance) P-C4' energy: -97.170
flat angles C4'-P-C4' energy: -100.559
flat angles P-C4'-P energy: -57.130
tors. eta vs tors. theta energy: -29.726
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: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -541.547637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.547637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.547637 (E_RNA)
where:
Base-Base interactions energy: -254.487
where: short stacking energy: -152.545
Base-Backbone interact. energy: -1.860
local terms energy: -285.201141
where:
bonds (distance) C4'-P energy: -100.412
bonds (distance) P-C4' energy: -87.359
flat angles C4'-P-C4' energy: -65.491
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: 12.455
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: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1971.105167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.105167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.105167 (E_RNA)
where:
Base-Base interactions energy: -1336.681
where: short stacking energy: -593.309
Base-Backbone interact. energy: -4.942
local terms energy: -629.482560
where:
bonds (distance) C4'-P energy: -118.146
bonds (distance) P-C4' energy: -121.590
flat angles C4'-P-C4' energy: -130.241
flat angles P-C4'-P energy: -83.156
tors. eta vs tors. theta energy: -176.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1940.928700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.928700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.928700 (E_RNA)
where:
Base-Base interactions energy: -1329.353
where: short stacking energy: -560.429
Base-Backbone interact. energy: -1.114
local terms energy: -610.462140
where:
bonds (distance) C4'-P energy: -108.177
bonds (distance) P-C4' energy: -126.930
flat angles C4'-P-C4' energy: -124.514
flat angles P-C4'-P energy: -86.067
tors. eta vs tors. theta energy: -164.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1851.089471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.089471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.089471 (E_RNA)
where:
Base-Base interactions energy: -1249.985
where: short stacking energy: -567.472
Base-Backbone interact. energy: 2.646
local terms energy: -603.750681
where:
bonds (distance) C4'-P energy: -108.163
bonds (distance) P-C4' energy: -116.520
flat angles C4'-P-C4' energy: -134.660
flat angles P-C4'-P energy: -78.724
tors. eta vs tors. theta energy: -165.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1822.578152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.578152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.578152 (E_RNA)
where:
Base-Base interactions energy: -1282.885
where: short stacking energy: -500.039
Base-Backbone interact. energy: -5.205
local terms energy: -534.488259
where:
bonds (distance) C4'-P energy: -102.876
bonds (distance) P-C4' energy: -103.851
flat angles C4'-P-C4' energy: -119.589
flat angles P-C4'-P energy: -66.682
tors. eta vs tors. theta energy: -141.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1553.660386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.660386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.660386 (E_RNA)
where:
Base-Base interactions energy: -1049.425
where: short stacking energy: -423.957
Base-Backbone interact. energy: -1.478
local terms energy: -502.757203
where:
bonds (distance) C4'-P energy: -91.182
bonds (distance) P-C4' energy: -103.427
flat angles C4'-P-C4' energy: -119.158
flat angles P-C4'-P energy: -73.388
tors. eta vs tors. theta energy: -115.603
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: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1470.587418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.587418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.587418 (E_RNA)
where:
Base-Base interactions energy: -958.544
where: short stacking energy: -420.211
Base-Backbone interact. energy: -1.057
local terms energy: -510.986960
where:
bonds (distance) C4'-P energy: -100.914
bonds (distance) P-C4' energy: -98.838
flat angles C4'-P-C4' energy: -111.902
flat angles P-C4'-P energy: -81.611
tors. eta vs tors. theta energy: -117.721
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: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1316.193237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.193237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.193237 (E_RNA)
where:
Base-Base interactions energy: -860.187
where: short stacking energy: -382.012
Base-Backbone interact. energy: -0.472
local terms energy: -455.534781
where:
bonds (distance) C4'-P energy: -89.025
bonds (distance) P-C4' energy: -101.388
flat angles C4'-P-C4' energy: -101.876
flat angles P-C4'-P energy: -70.175
tors. eta vs tors. theta energy: -93.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1022.032706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.032706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.032706 (E_RNA)
where:
Base-Base interactions energy: -592.827
where: short stacking energy: -285.614
Base-Backbone interact. energy: -0.662
local terms energy: -428.543645
where:
bonds (distance) C4'-P energy: -105.362
bonds (distance) P-C4' energy: -99.858
flat angles C4'-P-C4' energy: -94.075
flat angles P-C4'-P energy: -68.426
tors. eta vs tors. theta energy: -60.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -784.992428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.992428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.992428 (E_RNA)
where:
Base-Base interactions energy: -419.252
where: short stacking energy: -235.939
Base-Backbone interact. energy: 8.350
local terms energy: -374.090342
where:
bonds (distance) C4'-P energy: -108.974
bonds (distance) P-C4' energy: -112.955
flat angles C4'-P-C4' energy: -76.643
flat angles P-C4'-P energy: -49.110
tors. eta vs tors. theta energy: -26.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -549.681406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.681406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.681406 (E_RNA)
where:
Base-Base interactions energy: -230.601
where: short stacking energy: -149.824
Base-Backbone interact. energy: 6.639
local terms energy: -325.719311
where:
bonds (distance) C4'-P energy: -84.902
bonds (distance) P-C4' energy: -106.006
flat angles C4'-P-C4' energy: -83.373
flat angles P-C4'-P energy: -64.075
tors. eta vs tors. theta energy: 12.636
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: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1933.416100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.416100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.416100 (E_RNA)
where:
Base-Base interactions energy: -1328.367
where: short stacking energy: -568.329
Base-Backbone interact. energy: -2.874
local terms energy: -602.175852
where:
bonds (distance) C4'-P energy: -116.191
bonds (distance) P-C4' energy: -127.927
flat angles C4'-P-C4' energy: -133.376
flat angles P-C4'-P energy: -69.885
tors. eta vs tors. theta energy: -154.797
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: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1935.696544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.696544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.696544 (E_RNA)
where:
Base-Base interactions energy: -1341.325
where: short stacking energy: -552.694
Base-Backbone interact. energy: -0.981
local terms energy: -593.390662
where:
bonds (distance) C4'-P energy: -108.053
bonds (distance) P-C4' energy: -121.183
flat angles C4'-P-C4' energy: -119.458
flat angles P-C4'-P energy: -78.231
tors. eta vs tors. theta energy: -166.466
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: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1838.975642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.975642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.975642 (E_RNA)
where:
Base-Base interactions energy: -1277.968
where: short stacking energy: -547.816
Base-Backbone interact. energy: -2.223
local terms energy: -558.784982
where:
bonds (distance) C4'-P energy: -105.912
bonds (distance) P-C4' energy: -100.727
flat angles C4'-P-C4' energy: -120.634
flat angles P-C4'-P energy: -78.729
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: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1818.288914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.288914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.288914 (E_RNA)
where:
Base-Base interactions energy: -1248.623
where: short stacking energy: -503.822
Base-Backbone interact. energy: -3.009
local terms energy: -566.656398
where:
bonds (distance) C4'-P energy: -110.587
bonds (distance) P-C4' energy: -113.112
flat angles C4'-P-C4' energy: -127.104
flat angles P-C4'-P energy: -81.720
tors. eta vs tors. theta energy: -134.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1553.060445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.060445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.060445 (E_RNA)
where:
Base-Base interactions energy: -1044.014
where: short stacking energy: -464.319
Base-Backbone interact. energy: 3.006
local terms energy: -512.052004
where:
bonds (distance) C4'-P energy: -104.229
bonds (distance) P-C4' energy: -107.176
flat angles C4'-P-C4' energy: -113.643
flat angles P-C4'-P energy: -71.249
tors. eta vs tors. theta energy: -115.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1393.558476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.558476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.558476 (E_RNA)
where:
Base-Base interactions energy: -921.269
where: short stacking energy: -416.584
Base-Backbone interact. energy: 2.012
local terms energy: -474.301733
where:
bonds (distance) C4'-P energy: -97.338
bonds (distance) P-C4' energy: -114.353
flat angles C4'-P-C4' energy: -98.310
flat angles P-C4'-P energy: -65.619
tors. eta vs tors. theta energy: -98.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1318.901347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.901347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.901347 (E_RNA)
where:
Base-Base interactions energy: -862.706
where: short stacking energy: -403.983
Base-Backbone interact. energy: 2.313
local terms energy: -458.508072
where:
bonds (distance) C4'-P energy: -79.561
bonds (distance) P-C4' energy: -109.174
flat angles C4'-P-C4' energy: -110.215
flat angles P-C4'-P energy: -68.552
tors. eta vs tors. theta energy: -91.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -981.543208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.543208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.543208 (E_RNA)
where:
Base-Base interactions energy: -580.343
where: short stacking energy: -263.771
Base-Backbone interact. energy: -3.424
local terms energy: -397.776339
where:
bonds (distance) C4'-P energy: -110.950
bonds (distance) P-C4' energy: -86.702
flat angles C4'-P-C4' energy: -99.037
flat angles P-C4'-P energy: -65.022
tors. eta vs tors. theta energy: -36.065
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: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -898.906189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.906189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.906189 (E_RNA)
where:
Base-Base interactions energy: -521.737
where: short stacking energy: -240.967
Base-Backbone interact. energy: -2.142
local terms energy: -375.027875
where:
bonds (distance) C4'-P energy: -97.125
bonds (distance) P-C4' energy: -94.375
flat angles C4'-P-C4' energy: -86.191
flat angles P-C4'-P energy: -67.677
tors. eta vs tors. theta energy: -29.659
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: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -592.397752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.397752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.397752 (E_RNA)
where:
Base-Base interactions energy: -306.926
where: short stacking energy: -151.563
Base-Backbone interact. energy: -1.564
local terms energy: -283.907787
where:
bonds (distance) C4'-P energy: -93.394
bonds (distance) P-C4' energy: -66.397
flat angles C4'-P-C4' energy: -79.115
flat angles P-C4'-P energy: -54.513
tors. eta vs tors. theta energy: 9.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1946.599611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.599611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.599611 (E_RNA)
where:
Base-Base interactions energy: -1336.285
where: short stacking energy: -579.418
Base-Backbone interact. energy: -5.733
local terms energy: -604.581837
where:
bonds (distance) C4'-P energy: -125.174
bonds (distance) P-C4' energy: -106.347
flat angles C4'-P-C4' energy: -119.197
flat angles P-C4'-P energy: -82.958
tors. eta vs tors. theta energy: -170.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1959.426808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.426808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.426808 (E_RNA)
where:
Base-Base interactions energy: -1337.383
where: short stacking energy: -551.437
Base-Backbone interact. energy: -2.472
local terms energy: -619.572040
where:
bonds (distance) C4'-P energy: -120.431
bonds (distance) P-C4' energy: -116.403
flat angles C4'-P-C4' energy: -135.549
flat angles P-C4'-P energy: -85.007
tors. eta vs tors. theta energy: -162.182
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: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1849.422799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.422799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.422799 (E_RNA)
where:
Base-Base interactions energy: -1304.354
where: short stacking energy: -536.479
Base-Backbone interact. energy: -0.732
local terms energy: -544.336662
where:
bonds (distance) C4'-P energy: -111.585
bonds (distance) P-C4' energy: -111.200
flat angles C4'-P-C4' energy: -109.294
flat angles P-C4'-P energy: -62.284
tors. eta vs tors. theta energy: -149.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1767.350555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.350555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.350555 (E_RNA)
where:
Base-Base interactions energy: -1220.255
where: short stacking energy: -539.106
Base-Backbone interact. energy: -1.791
local terms energy: -545.305295
where:
bonds (distance) C4'-P energy: -99.718
bonds (distance) P-C4' energy: -95.852
flat angles C4'-P-C4' energy: -118.118
flat angles P-C4'-P energy: -69.860
tors. eta vs tors. theta energy: -161.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1584.442007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.442007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.442007 (E_RNA)
where:
Base-Base interactions energy: -1037.476
where: short stacking energy: -432.218
Base-Backbone interact. energy: -2.312
local terms energy: -544.653425
where:
bonds (distance) C4'-P energy: -113.877
bonds (distance) P-C4' energy: -108.363
flat angles C4'-P-C4' energy: -117.425
flat angles P-C4'-P energy: -85.719
tors. eta vs tors. theta energy: -119.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1439.115453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.115453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.115453 (E_RNA)
where:
Base-Base interactions energy: -943.034
where: short stacking energy: -422.606
Base-Backbone interact. energy: -1.524
local terms energy: -494.557423
where:
bonds (distance) C4'-P energy: -102.610
bonds (distance) P-C4' energy: -96.915
flat angles C4'-P-C4' energy: -104.008
flat angles P-C4'-P energy: -69.253
tors. eta vs tors. theta energy: -121.771
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: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1358.689765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.689765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.689765 (E_RNA)
where:
Base-Base interactions energy: -888.351
where: short stacking energy: -396.651
Base-Backbone interact. energy: 3.987
local terms energy: -474.325571
where:
bonds (distance) C4'-P energy: -95.605
bonds (distance) P-C4' energy: -103.823
flat angles C4'-P-C4' energy: -104.545
flat angles P-C4'-P energy: -76.027
tors. eta vs tors. theta energy: -94.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -988.727971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.727971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.727971 (E_RNA)
where:
Base-Base interactions energy: -602.231
where: short stacking energy: -281.772
Base-Backbone interact. energy: -0.174
local terms energy: -386.322659
where:
bonds (distance) C4'-P energy: -103.626
bonds (distance) P-C4' energy: -89.444
flat angles C4'-P-C4' energy: -92.388
flat angles P-C4'-P energy: -56.613
tors. eta vs tors. theta energy: -44.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -885.758562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.758562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.758562 (E_RNA)
where:
Base-Base interactions energy: -483.455
where: short stacking energy: -245.179
Base-Backbone interact. energy: 1.239
local terms energy: -403.542843
where:
bonds (distance) C4'-P energy: -89.996
bonds (distance) P-C4' energy: -107.489
flat angles C4'-P-C4' energy: -107.183
flat angles P-C4'-P energy: -61.147
tors. eta vs tors. theta energy: -37.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -534.527833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.527833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.527833 (E_RNA)
where:
Base-Base interactions energy: -218.500
where: short stacking energy: -141.491
Base-Backbone interact. energy: -2.547
local terms energy: -313.480650
where:
bonds (distance) C4'-P energy: -99.585
bonds (distance) P-C4' energy: -108.358
flat angles C4'-P-C4' energy: -66.259
flat angles P-C4'-P energy: -39.003
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1970.884909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.884909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.884909 (E_RNA)
where:
Base-Base interactions energy: -1341.366
where: short stacking energy: -575.799
Base-Backbone interact. energy: -1.577
local terms energy: -627.942075
where:
bonds (distance) C4'-P energy: -123.179
bonds (distance) P-C4' energy: -121.687
flat angles C4'-P-C4' energy: -120.846
flat angles P-C4'-P energy: -87.231
tors. eta vs tors. theta energy: -174.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1963.686032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.686032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.686032 (E_RNA)
where:
Base-Base interactions energy: -1349.076
where: short stacking energy: -575.976
Base-Backbone interact. energy: -2.348
local terms energy: -612.261473
where:
bonds (distance) C4'-P energy: -112.735
bonds (distance) P-C4' energy: -119.984
flat angles C4'-P-C4' energy: -121.431
flat angles P-C4'-P energy: -85.293
tors. eta vs tors. theta energy: -172.818
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: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1867.063360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.063360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.063360 (E_RNA)
where:
Base-Base interactions energy: -1293.854
where: short stacking energy: -550.876
Base-Backbone interact. energy: -1.676
local terms energy: -571.533925
where:
bonds (distance) C4'-P energy: -103.262
bonds (distance) P-C4' energy: -108.743
flat angles C4'-P-C4' energy: -128.011
flat angles P-C4'-P energy: -74.828
tors. eta vs tors. theta energy: -156.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1782.655683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.655683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.655683 (E_RNA)
where:
Base-Base interactions energy: -1220.340
where: short stacking energy: -526.756
Base-Backbone interact. energy: -2.344
local terms energy: -559.972304
where:
bonds (distance) C4'-P energy: -106.853
bonds (distance) P-C4' energy: -108.205
flat angles C4'-P-C4' energy: -117.070
flat angles P-C4'-P energy: -70.325
tors. eta vs tors. theta energy: -157.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1612.404110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.404110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.404110 (E_RNA)
where:
Base-Base interactions energy: -1088.484
where: short stacking energy: -426.862
Base-Backbone interact. energy: -1.400
local terms energy: -522.519881
where:
bonds (distance) C4'-P energy: -113.535
bonds (distance) P-C4' energy: -106.018
flat angles C4'-P-C4' energy: -118.632
flat angles P-C4'-P energy: -70.542
tors. eta vs tors. theta energy: -113.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1433.602838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.602838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.602838 (E_RNA)
where:
Base-Base interactions energy: -940.676
where: short stacking energy: -409.156
Base-Backbone interact. energy: -3.738
local terms energy: -489.189304
where:
bonds (distance) C4'-P energy: -96.415
bonds (distance) P-C4' energy: -107.319
flat angles C4'-P-C4' energy: -106.027
flat angles P-C4'-P energy: -62.913
tors. eta vs tors. theta energy: -116.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1421.739667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.739667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.739667 (E_RNA)
where:
Base-Base interactions energy: -928.876
where: short stacking energy: -407.214
Base-Backbone interact. energy: -0.744
local terms energy: -492.119498
where:
bonds (distance) C4'-P energy: -104.013
bonds (distance) P-C4' energy: -101.816
flat angles C4'-P-C4' energy: -116.954
flat angles P-C4'-P energy: -67.597
tors. eta vs tors. theta energy: -101.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1020.016913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.016913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.016913 (E_RNA)
where:
Base-Base interactions energy: -597.897
where: short stacking energy: -282.029
Base-Backbone interact. energy: -1.381
local terms energy: -420.738253
where:
bonds (distance) C4'-P energy: -96.250
bonds (distance) P-C4' energy: -92.343
flat angles C4'-P-C4' energy: -97.030
flat angles P-C4'-P energy: -78.999
tors. eta vs tors. theta energy: -56.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -856.746009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.746009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.746009 (E_RNA)
where:
Base-Base interactions energy: -500.956
where: short stacking energy: -252.564
Base-Backbone interact. energy: -2.908
local terms energy: -352.882558
where:
bonds (distance) C4'-P energy: -99.245
bonds (distance) P-C4' energy: -80.125
flat angles C4'-P-C4' energy: -87.995
flat angles P-C4'-P energy: -54.716
tors. eta vs tors. theta energy: -30.801
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: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -478.220378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.220378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.220378 (E_RNA)
where:
Base-Base interactions energy: -175.399
where: short stacking energy: -98.667
Base-Backbone interact. energy: 11.803
local terms energy: -314.624345
where:
bonds (distance) C4'-P energy: -87.315
bonds (distance) P-C4' energy: -107.656
flat angles C4'-P-C4' energy: -83.909
flat angles P-C4'-P energy: -58.786
tors. eta vs tors. theta energy: 23.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2028.820452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.820452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.820452 (E_RNA)
where:
Base-Base interactions energy: -1397.584
where: short stacking energy: -579.488
Base-Backbone interact. energy: -1.709
local terms energy: -629.526849
where:
bonds (distance) C4'-P energy: -116.785
bonds (distance) P-C4' energy: -128.587
flat angles C4'-P-C4' energy: -128.618
flat angles P-C4'-P energy: -80.971
tors. eta vs tors. theta energy: -174.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1931.433856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.433856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.433856 (E_RNA)
where:
Base-Base interactions energy: -1356.097
where: short stacking energy: -585.937
Base-Backbone interact. energy: -0.976
local terms energy: -574.361227
where:
bonds (distance) C4'-P energy: -97.536
bonds (distance) P-C4' energy: -99.892
flat angles C4'-P-C4' energy: -130.245
flat angles P-C4'-P energy: -80.144
tors. eta vs tors. theta energy: -166.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1894.866156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.866156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.866156 (E_RNA)
where:
Base-Base interactions energy: -1305.277
where: short stacking energy: -546.481
Base-Backbone interact. energy: 2.985
local terms energy: -592.574000
where:
bonds (distance) C4'-P energy: -112.529
bonds (distance) P-C4' energy: -128.014
flat angles C4'-P-C4' energy: -122.530
flat angles P-C4'-P energy: -80.882
tors. eta vs tors. theta energy: -148.619
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: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1735.152364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.152364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.152364 (E_RNA)
where:
Base-Base interactions energy: -1178.857
where: short stacking energy: -526.889
Base-Backbone interact. energy: 0.710
local terms energy: -557.005279
where:
bonds (distance) C4'-P energy: -104.468
bonds (distance) P-C4' energy: -118.255
flat angles C4'-P-C4' energy: -108.701
flat angles P-C4'-P energy: -89.728
tors. eta vs tors. theta energy: -135.853
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: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1673.781162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.781162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.781162 (E_RNA)
where:
Base-Base interactions energy: -1120.703
where: short stacking energy: -474.170
Base-Backbone interact. energy: 2.005
local terms energy: -555.083149
where:
bonds (distance) C4'-P energy: -112.500
bonds (distance) P-C4' energy: -103.262
flat angles C4'-P-C4' energy: -119.592
flat angles P-C4'-P energy: -85.625
tors. eta vs tors. theta energy: -134.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1499.108714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.108714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.108714 (E_RNA)
where:
Base-Base interactions energy: -1004.924
where: short stacking energy: -440.530
Base-Backbone interact. energy: -0.194
local terms energy: -493.990504
where:
bonds (distance) C4'-P energy: -104.295
bonds (distance) P-C4' energy: -108.935
flat angles C4'-P-C4' energy: -99.941
flat angles P-C4'-P energy: -63.911
tors. eta vs tors. theta energy: -116.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1318.301704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.301704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.301704 (E_RNA)
where:
Base-Base interactions energy: -844.056
where: short stacking energy: -381.456
Base-Backbone interact. energy: 2.415
local terms energy: -476.661498
where:
bonds (distance) C4'-P energy: -115.440
bonds (distance) P-C4' energy: -93.725
flat angles C4'-P-C4' energy: -101.231
flat angles P-C4'-P energy: -63.709
tors. eta vs tors. theta energy: -102.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1040.750385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.750385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.750385 (E_RNA)
where:
Base-Base interactions energy: -629.083
where: short stacking energy: -294.843
Base-Backbone interact. energy: -0.595
local terms energy: -411.072685
where:
bonds (distance) C4'-P energy: -96.904
bonds (distance) P-C4' energy: -106.401
flat angles C4'-P-C4' energy: -94.194
flat angles P-C4'-P energy: -67.748
tors. eta vs tors. theta energy: -45.825
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: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -800.807239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.807239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.807239 (E_RNA)
where:
Base-Base interactions energy: -436.415
where: short stacking energy: -214.672
Base-Backbone interact. energy: 2.768
local terms energy: -367.160149
where:
bonds (distance) C4'-P energy: -85.339
bonds (distance) P-C4' energy: -98.959
flat angles C4'-P-C4' energy: -98.405
flat angles P-C4'-P energy: -53.990
tors. eta vs tors. theta energy: -30.467
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: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -473.177650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.177650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.177650 (E_RNA)
where:
Base-Base interactions energy: -151.505
where: short stacking energy: -126.755
Base-Backbone interact. energy: 2.894
local terms energy: -324.566646
where:
bonds (distance) C4'-P energy: -99.648
bonds (distance) P-C4' energy: -98.067
flat angles C4'-P-C4' energy: -69.872
flat angles P-C4'-P energy: -74.685
tors. eta vs tors. theta energy: 17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2038.336492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.336492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.336492 (E_RNA)
where:
Base-Base interactions energy: -1426.106
where: short stacking energy: -586.924
Base-Backbone interact. energy: -1.415
local terms energy: -610.816260
where:
bonds (distance) C4'-P energy: -110.756
bonds (distance) P-C4' energy: -124.749
flat angles C4'-P-C4' energy: -131.344
flat angles P-C4'-P energy: -74.239
tors. eta vs tors. theta energy: -169.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1904.855641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.855641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.855641 (E_RNA)
where:
Base-Base interactions energy: -1275.505
where: short stacking energy: -534.862
Base-Backbone interact. energy: -1.526
local terms energy: -627.825423
where:
bonds (distance) C4'-P energy: -113.514
bonds (distance) P-C4' energy: -118.977
flat angles C4'-P-C4' energy: -138.196
flat angles P-C4'-P energy: -88.123
tors. eta vs tors. theta energy: -169.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1871.746452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.746452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.746452 (E_RNA)
where:
Base-Base interactions energy: -1279.849
where: short stacking energy: -535.224
Base-Backbone interact. energy: -5.581
local terms energy: -586.315593
where:
bonds (distance) C4'-P energy: -114.354
bonds (distance) P-C4' energy: -109.067
flat angles C4'-P-C4' energy: -129.570
flat angles P-C4'-P energy: -74.670
tors. eta vs tors. theta energy: -158.653
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: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1770.192531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.192531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.192531 (E_RNA)
where:
Base-Base interactions energy: -1220.523
where: short stacking energy: -526.776
Base-Backbone interact. energy: -3.021
local terms energy: -546.648269
where:
bonds (distance) C4'-P energy: -103.331
bonds (distance) P-C4' energy: -92.984
flat angles C4'-P-C4' energy: -120.501
flat angles P-C4'-P energy: -76.411
tors. eta vs tors. theta energy: -153.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1628.566545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.566545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.566545 (E_RNA)
where:
Base-Base interactions energy: -1065.561
where: short stacking energy: -454.054
Base-Backbone interact. energy: 2.160
local terms energy: -565.165493
where:
bonds (distance) C4'-P energy: -121.685
bonds (distance) P-C4' energy: -124.787
flat angles C4'-P-C4' energy: -111.245
flat angles P-C4'-P energy: -76.510
tors. eta vs tors. theta energy: -130.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1461.104539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.104539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.104539 (E_RNA)
where:
Base-Base interactions energy: -956.600
where: short stacking energy: -425.554
Base-Backbone interact. energy: 1.692
local terms energy: -506.196793
where:
bonds (distance) C4'-P energy: -104.334
bonds (distance) P-C4' energy: -105.025
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -72.056
tors. eta vs tors. theta energy: -113.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1418.560463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.560463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.560463 (E_RNA)
where:
Base-Base interactions energy: -919.631
where: short stacking energy: -431.884
Base-Backbone interact. energy: -2.478
local terms energy: -496.451806
where:
bonds (distance) C4'-P energy: -104.058
bonds (distance) P-C4' energy: -95.327
flat angles C4'-P-C4' energy: -128.348
flat angles P-C4'-P energy: -53.136
tors. eta vs tors. theta energy: -115.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1057.758119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.758119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.758119 (E_RNA)
where:
Base-Base interactions energy: -641.027
where: short stacking energy: -301.753
Base-Backbone interact. energy: -0.476
local terms energy: -416.254627
where:
bonds (distance) C4'-P energy: -112.115
bonds (distance) P-C4' energy: -105.415
flat angles C4'-P-C4' energy: -89.989
flat angles P-C4'-P energy: -51.247
tors. eta vs tors. theta energy: -57.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -850.808785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.808785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.808785 (E_RNA)
where:
Base-Base interactions energy: -471.886
where: short stacking energy: -230.691
Base-Backbone interact. energy: 4.541
local terms energy: -383.463556
where:
bonds (distance) C4'-P energy: -98.570
bonds (distance) P-C4' energy: -100.305
flat angles C4'-P-C4' energy: -96.873
flat angles P-C4'-P energy: -65.876
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -488.768829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.768829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.768829 (E_RNA)
where:
Base-Base interactions energy: -157.044
where: short stacking energy: -123.314
Base-Backbone interact. energy: -0.173
local terms energy: -331.551651
where:
bonds (distance) C4'-P energy: -87.679
bonds (distance) P-C4' energy: -109.590
flat angles C4'-P-C4' energy: -87.655
flat angles P-C4'-P energy: -61.180
tors. eta vs tors. theta energy: 14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2038.197878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.197878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.197878 (E_RNA)
where:
Base-Base interactions energy: -1421.745
where: short stacking energy: -574.066
Base-Backbone interact. energy: -4.447
local terms energy: -612.005825
where:
bonds (distance) C4'-P energy: -109.222
bonds (distance) P-C4' energy: -125.526
flat angles C4'-P-C4' energy: -133.414
flat angles P-C4'-P energy: -75.670
tors. eta vs tors. theta energy: -168.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1911.318539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.318539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.318539 (E_RNA)
where:
Base-Base interactions energy: -1311.526
where: short stacking energy: -557.930
Base-Backbone interact. energy: -1.904
local terms energy: -597.887727
where:
bonds (distance) C4'-P energy: -96.045
bonds (distance) P-C4' energy: -108.902
flat angles C4'-P-C4' energy: -132.971
flat angles P-C4'-P energy: -87.672
tors. eta vs tors. theta energy: -172.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1869.764048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.764048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.764048 (E_RNA)
where:
Base-Base interactions energy: -1277.878
where: short stacking energy: -543.340
Base-Backbone interact. energy: -3.714
local terms energy: -588.171742
where:
bonds (distance) C4'-P energy: -122.565
bonds (distance) P-C4' energy: -113.351
flat angles C4'-P-C4' energy: -123.862
flat angles P-C4'-P energy: -75.775
tors. eta vs tors. theta energy: -152.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1807.964868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.964868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.964868 (E_RNA)
where:
Base-Base interactions energy: -1203.019
where: short stacking energy: -547.320
Base-Backbone interact. energy: -1.851
local terms energy: -603.094898
where:
bonds (distance) C4'-P energy: -102.155
bonds (distance) P-C4' energy: -118.057
flat angles C4'-P-C4' energy: -127.379
flat angles P-C4'-P energy: -85.143
tors. eta vs tors. theta energy: -170.361
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: 234
Temperature: 1.100000
Total energy: -1643.374393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.374393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.374393 (E_RNA)
where:
Base-Base interactions energy: -1098.299
where: short stacking energy: -451.449
Base-Backbone interact. energy: -2.205
local terms energy: -542.870518
where:
bonds (distance) C4'-P energy: -95.847
bonds (distance) P-C4' energy: -105.477
flat angles C4'-P-C4' energy: -131.048
flat angles P-C4'-P energy: -82.700
tors. eta vs tors. theta energy: -127.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1501.784560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.784560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.784560 (E_RNA)
where:
Base-Base interactions energy: -989.014
where: short stacking energy: -434.016
Base-Backbone interact. energy: -0.862
local terms energy: -511.908089
where:
bonds (distance) C4'-P energy: -93.118
bonds (distance) P-C4' energy: -111.857
flat angles C4'-P-C4' energy: -111.577
flat angles P-C4'-P energy: -76.254
tors. eta vs tors. theta energy: -119.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1373.150939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.150939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.150939 (E_RNA)
where:
Base-Base interactions energy: -917.020
where: short stacking energy: -391.150
Base-Backbone interact. energy: 2.940
local terms energy: -459.071077
where:
bonds (distance) C4'-P energy: -86.542
bonds (distance) P-C4' energy: -114.339
flat angles C4'-P-C4' energy: -95.023
flat angles P-C4'-P energy: -62.933
tors. eta vs tors. theta energy: -100.233
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: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1027.857629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.857629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.857629 (E_RNA)
where:
Base-Base interactions energy: -625.237
where: short stacking energy: -311.022
Base-Backbone interact. energy: -0.289
local terms energy: -402.331673
where:
bonds (distance) C4'-P energy: -97.033
bonds (distance) P-C4' energy: -93.997
flat angles C4'-P-C4' energy: -92.595
flat angles P-C4'-P energy: -58.322
tors. eta vs tors. theta energy: -60.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -851.240391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.240391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.240391 (E_RNA)
where:
Base-Base interactions energy: -484.332
where: short stacking energy: -263.573
Base-Backbone interact. energy: 1.300
local terms energy: -368.207954
where:
bonds (distance) C4'-P energy: -91.954
bonds (distance) P-C4' energy: -104.309
flat angles C4'-P-C4' energy: -82.302
flat angles P-C4'-P energy: -51.484
tors. eta vs tors. theta energy: -38.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -432.156460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.156460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.156460 (E_RNA)
where:
Base-Base interactions energy: -163.414
where: short stacking energy: -139.556
Base-Backbone interact. energy: 1.058
local terms energy: -269.801178
where:
bonds (distance) C4'-P energy: -90.698
bonds (distance) P-C4' energy: -83.476
flat angles C4'-P-C4' energy: -76.898
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: 23.382
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: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2036.177017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.177017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.177017 (E_RNA)
where:
Base-Base interactions energy: -1417.488
where: short stacking energy: -593.108
Base-Backbone interact. energy: -4.598
local terms energy: -614.091746
where:
bonds (distance) C4'-P energy: -110.763
bonds (distance) P-C4' energy: -112.170
flat angles C4'-P-C4' energy: -134.036
flat angles P-C4'-P energy: -88.141
tors. eta vs tors. theta energy: -168.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1897.359404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.359404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.359404 (E_RNA)
where:
Base-Base interactions energy: -1295.072
where: short stacking energy: -520.219
Base-Backbone interact. energy: -2.642
local terms energy: -599.645370
where:
bonds (distance) C4'-P energy: -112.391
bonds (distance) P-C4' energy: -121.073
flat angles C4'-P-C4' energy: -132.595
flat angles P-C4'-P energy: -87.203
tors. eta vs tors. theta energy: -146.384
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: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1880.279062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.279062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.279062 (E_RNA)
where:
Base-Base interactions energy: -1294.371
where: short stacking energy: -528.492
Base-Backbone interact. energy: -2.922
local terms energy: -582.985763
where:
bonds (distance) C4'-P energy: -101.913
bonds (distance) P-C4' energy: -116.016
flat angles C4'-P-C4' energy: -130.900
flat angles P-C4'-P energy: -76.947
tors. eta vs tors. theta energy: -157.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1781.330277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.330277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.330277 (E_RNA)
where:
Base-Base interactions energy: -1201.056
where: short stacking energy: -542.947
Base-Backbone interact. energy: 0.109
local terms energy: -580.383610
where:
bonds (distance) C4'-P energy: -103.858
bonds (distance) P-C4' energy: -112.915
flat angles C4'-P-C4' energy: -124.759
flat angles P-C4'-P energy: -73.863
tors. eta vs tors. theta energy: -164.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1656.069710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.069710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.069710 (E_RNA)
where:
Base-Base interactions energy: -1118.911
where: short stacking energy: -465.712
Base-Backbone interact. energy: -0.906
local terms energy: -536.252741
where:
bonds (distance) C4'-P energy: -101.704
bonds (distance) P-C4' energy: -103.339
flat angles C4'-P-C4' energy: -119.429
flat angles P-C4'-P energy: -78.174
tors. eta vs tors. theta energy: -133.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1479.266969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.266969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.266969 (E_RNA)
where:
Base-Base interactions energy: -983.346
where: short stacking energy: -415.119
Base-Backbone interact. energy: -1.096
local terms energy: -494.824565
where:
bonds (distance) C4'-P energy: -113.751
bonds (distance) P-C4' energy: -94.641
flat angles C4'-P-C4' energy: -112.568
flat angles P-C4'-P energy: -76.478
tors. eta vs tors. theta energy: -97.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1274.601006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.601006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.601006 (E_RNA)
where:
Base-Base interactions energy: -836.003
where: short stacking energy: -397.152
Base-Backbone interact. energy: 1.162
local terms energy: -439.759569
where:
bonds (distance) C4'-P energy: -91.998
bonds (distance) P-C4' energy: -95.854
flat angles C4'-P-C4' energy: -105.126
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -96.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1064.700260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.700260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.700260 (E_RNA)
where:
Base-Base interactions energy: -629.511
where: short stacking energy: -316.910
Base-Backbone interact. energy: 0.120
local terms energy: -435.309434
where:
bonds (distance) C4'-P energy: -110.371
bonds (distance) P-C4' energy: -111.513
flat angles C4'-P-C4' energy: -94.673
flat angles P-C4'-P energy: -62.505
tors. eta vs tors. theta energy: -56.247
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: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -849.246051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.246051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.246051 (E_RNA)
where:
Base-Base interactions energy: -511.116
where: short stacking energy: -256.761
Base-Backbone interact. energy: -0.084
local terms energy: -338.045342
where:
bonds (distance) C4'-P energy: -86.357
bonds (distance) P-C4' energy: -102.427
flat angles C4'-P-C4' energy: -78.616
flat angles P-C4'-P energy: -37.791
tors. eta vs tors. theta energy: -32.854
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: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -464.308318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.308318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.308318 (E_RNA)
where:
Base-Base interactions energy: -137.694
where: short stacking energy: -109.954
Base-Backbone interact. energy: -3.440
local terms energy: -323.173991
where:
bonds (distance) C4'-P energy: -92.270
bonds (distance) P-C4' energy: -104.152
flat angles C4'-P-C4' energy: -92.022
flat angles P-C4'-P energy: -45.230
tors. eta vs tors. theta energy: 10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2033.602179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.602179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.602179 (E_RNA)
where:
Base-Base interactions energy: -1434.081
where: short stacking energy: -571.967
Base-Backbone interact. energy: -1.206
local terms energy: -598.314675
where:
bonds (distance) C4'-P energy: -104.772
bonds (distance) P-C4' energy: -113.706
flat angles C4'-P-C4' energy: -134.261
flat angles P-C4'-P energy: -85.649
tors. eta vs tors. theta energy: -159.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1883.446622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.446622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.446622 (E_RNA)
where:
Base-Base interactions energy: -1268.584
where: short stacking energy: -540.200
Base-Backbone interact. energy: 1.519
local terms energy: -616.381409
where:
bonds (distance) C4'-P energy: -116.007
bonds (distance) P-C4' energy: -123.014
flat angles C4'-P-C4' energy: -128.182
flat angles P-C4'-P energy: -95.112
tors. eta vs tors. theta energy: -154.067
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: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1862.803995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.803995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.803995 (E_RNA)
where:
Base-Base interactions energy: -1294.452
where: short stacking energy: -527.928
Base-Backbone interact. energy: -3.218
local terms energy: -565.134540
where:
bonds (distance) C4'-P energy: -103.073
bonds (distance) P-C4' energy: -105.039
flat angles C4'-P-C4' energy: -127.411
flat angles P-C4'-P energy: -83.182
tors. eta vs tors. theta energy: -146.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1777.005089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.005089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.005089 (E_RNA)
where:
Base-Base interactions energy: -1237.566
where: short stacking energy: -510.947
Base-Backbone interact. energy: 1.221
local terms energy: -540.660027
where:
bonds (distance) C4'-P energy: -103.767
bonds (distance) P-C4' energy: -107.949
flat angles C4'-P-C4' energy: -117.065
flat angles P-C4'-P energy: -66.263
tors. eta vs tors. theta energy: -145.615
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: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1669.884775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.884775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.884775 (E_RNA)
where:
Base-Base interactions energy: -1137.480
where: short stacking energy: -481.958
Base-Backbone interact. energy: -0.594
local terms energy: -531.810737
where:
bonds (distance) C4'-P energy: -107.377
bonds (distance) P-C4' energy: -95.330
flat angles C4'-P-C4' energy: -121.227
flat angles P-C4'-P energy: -80.905
tors. eta vs tors. theta energy: -126.972
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: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1470.521960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.521960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.521960 (E_RNA)
where:
Base-Base interactions energy: -947.460
where: short stacking energy: -408.447
Base-Backbone interact. energy: -0.309
local terms energy: -522.753188
where:
bonds (distance) C4'-P energy: -104.483
bonds (distance) P-C4' energy: -101.501
flat angles C4'-P-C4' energy: -119.216
flat angles P-C4'-P energy: -80.372
tors. eta vs tors. theta energy: -117.182
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: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1281.212550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.212550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.212550 (E_RNA)
where:
Base-Base interactions energy: -806.634
where: short stacking energy: -371.062
Base-Backbone interact. energy: 2.650
local terms energy: -477.229030
where:
bonds (distance) C4'-P energy: -97.501
bonds (distance) P-C4' energy: -117.893
flat angles C4'-P-C4' energy: -117.399
flat angles P-C4'-P energy: -51.692
tors. eta vs tors. theta energy: -92.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1007.388299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.388299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.388299 (E_RNA)
where:
Base-Base interactions energy: -617.096
where: short stacking energy: -284.182
Base-Backbone interact. energy: -1.153
local terms energy: -389.139291
where:
bonds (distance) C4'-P energy: -88.033
bonds (distance) P-C4' energy: -90.465
flat angles C4'-P-C4' energy: -87.798
flat angles P-C4'-P energy: -53.289
tors. eta vs tors. theta energy: -69.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -901.549863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.549863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.549863 (E_RNA)
where:
Base-Base interactions energy: -476.153
where: short stacking energy: -262.714
Base-Backbone interact. energy: 1.209
local terms energy: -426.605186
where:
bonds (distance) C4'-P energy: -105.370
bonds (distance) P-C4' energy: -112.289
flat angles C4'-P-C4' energy: -103.866
flat angles P-C4'-P energy: -72.198
tors. eta vs tors. theta energy: -32.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -469.546031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.546031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.546031 (E_RNA)
where:
Base-Base interactions energy: -189.087
where: short stacking energy: -143.611
Base-Backbone interact. energy: 0.454
local terms energy: -280.912963
where:
bonds (distance) C4'-P energy: -89.642
bonds (distance) P-C4' energy: -104.267
flat angles C4'-P-C4' energy: -68.641
flat angles P-C4'-P energy: -47.964
tors. eta vs tors. theta energy: 29.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2079.280242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.280242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.280242 (E_RNA)
where:
Base-Base interactions energy: -1449.224
where: short stacking energy: -610.327
Base-Backbone interact. energy: -1.599
local terms energy: -628.457365
where:
bonds (distance) C4'-P energy: -110.971
bonds (distance) P-C4' energy: -120.120
flat angles C4'-P-C4' energy: -130.803
flat angles P-C4'-P energy: -96.491
tors. eta vs tors. theta energy: -170.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1888.775317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.775317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.775317 (E_RNA)
where:
Base-Base interactions energy: -1277.430
where: short stacking energy: -570.847
Base-Backbone interact. energy: 1.709
local terms energy: -613.054086
where:
bonds (distance) C4'-P energy: -119.014
bonds (distance) P-C4' energy: -111.029
flat angles C4'-P-C4' energy: -144.146
flat angles P-C4'-P energy: -85.594
tors. eta vs tors. theta energy: -153.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1866.854734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.854734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.854734 (E_RNA)
where:
Base-Base interactions energy: -1274.439
where: short stacking energy: -500.878
Base-Backbone interact. energy: -2.375
local terms energy: -590.040886
where:
bonds (distance) C4'-P energy: -119.439
bonds (distance) P-C4' energy: -119.770
flat angles C4'-P-C4' energy: -125.248
flat angles P-C4'-P energy: -77.575
tors. eta vs tors. theta energy: -148.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1761.750155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.750155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.750155 (E_RNA)
where:
Base-Base interactions energy: -1220.026
where: short stacking energy: -522.518
Base-Backbone interact. energy: -2.476
local terms energy: -539.248490
where:
bonds (distance) C4'-P energy: -105.030
bonds (distance) P-C4' energy: -93.836
flat angles C4'-P-C4' energy: -127.045
flat angles P-C4'-P energy: -80.020
tors. eta vs tors. theta energy: -133.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1733.607231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.607231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.607231 (E_RNA)
where:
Base-Base interactions energy: -1205.043
where: short stacking energy: -492.017
Base-Backbone interact. energy: -5.266
local terms energy: -523.298461
where:
bonds (distance) C4'-P energy: -108.104
bonds (distance) P-C4' energy: -76.083
flat angles C4'-P-C4' energy: -126.338
flat angles P-C4'-P energy: -70.655
tors. eta vs tors. theta energy: -142.118
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: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1485.354361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.354361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.354361 (E_RNA)
where:
Base-Base interactions energy: -969.653
where: short stacking energy: -422.730
Base-Backbone interact. energy: -1.796
local terms energy: -513.904847
where:
bonds (distance) C4'-P energy: -89.856
bonds (distance) P-C4' energy: -101.385
flat angles C4'-P-C4' energy: -120.079
flat angles P-C4'-P energy: -79.298
tors. eta vs tors. theta energy: -123.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1230.900976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.900976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.900976 (E_RNA)
where:
Base-Base interactions energy: -771.142
where: short stacking energy: -361.705
Base-Backbone interact. energy: -3.301
local terms energy: -456.457971
where:
bonds (distance) C4'-P energy: -105.718
bonds (distance) P-C4' energy: -109.649
flat angles C4'-P-C4' energy: -116.820
flat angles P-C4'-P energy: -48.058
tors. eta vs tors. theta energy: -76.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1094.363958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.363958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.363958 (E_RNA)
where:
Base-Base interactions energy: -664.902
where: short stacking energy: -310.877
Base-Backbone interact. energy: -2.082
local terms energy: -427.380484
where:
bonds (distance) C4'-P energy: -94.925
bonds (distance) P-C4' energy: -100.291
flat angles C4'-P-C4' energy: -118.456
flat angles P-C4'-P energy: -50.628
tors. eta vs tors. theta energy: -63.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -832.848086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.848086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.848086 (E_RNA)
where:
Base-Base interactions energy: -467.603
where: short stacking energy: -219.536
Base-Backbone interact. energy: 9.527
local terms energy: -374.772168
where:
bonds (distance) C4'-P energy: -99.348
bonds (distance) P-C4' energy: -110.782
flat angles C4'-P-C4' energy: -81.061
flat angles P-C4'-P energy: -57.766
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -436.277889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.277889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.277889 (E_RNA)
where:
Base-Base interactions energy: -160.317
where: short stacking energy: -128.049
Base-Backbone interact. energy: 1.836
local terms energy: -277.796844
where:
bonds (distance) C4'-P energy: -107.081
bonds (distance) P-C4' energy: -86.524
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: 22.100
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: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2063.776036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.776036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.776036 (E_RNA)
where:
Base-Base interactions energy: -1464.742
where: short stacking energy: -606.747
Base-Backbone interact. energy: -5.077
local terms energy: -593.957188
where:
bonds (distance) C4'-P energy: -116.025
bonds (distance) P-C4' energy: -104.722
flat angles C4'-P-C4' energy: -132.367
flat angles P-C4'-P energy: -77.284
tors. eta vs tors. theta energy: -163.558
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: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1875.243285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.243285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.243285 (E_RNA)
where:
Base-Base interactions energy: -1252.293
where: short stacking energy: -549.410
Base-Backbone interact. energy: -1.426
local terms energy: -621.523753
where:
bonds (distance) C4'-P energy: -119.536
bonds (distance) P-C4' energy: -112.939
flat angles C4'-P-C4' energy: -132.454
flat angles P-C4'-P energy: -96.450
tors. eta vs tors. theta energy: -160.145
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: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1891.884881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.884881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.884881 (E_RNA)
where:
Base-Base interactions energy: -1302.967
where: short stacking energy: -514.579
Base-Backbone interact. energy: -3.066
local terms energy: -585.851602
where:
bonds (distance) C4'-P energy: -121.132
bonds (distance) P-C4' energy: -112.178
flat angles C4'-P-C4' energy: -118.116
flat angles P-C4'-P energy: -90.309
tors. eta vs tors. theta energy: -144.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1739.200601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.200601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.200601 (E_RNA)
where:
Base-Base interactions energy: -1195.942
where: short stacking energy: -494.794
Base-Backbone interact. energy: -2.188
local terms energy: -541.070439
where:
bonds (distance) C4'-P energy: -78.671
bonds (distance) P-C4' energy: -115.990
flat angles C4'-P-C4' energy: -123.847
flat angles P-C4'-P energy: -74.926
tors. eta vs tors. theta energy: -147.636
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: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1765.288997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.288997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.288997 (E_RNA)
where:
Base-Base interactions energy: -1195.460
where: short stacking energy: -519.032
Base-Backbone interact. energy: 0.686
local terms energy: -570.514486
where:
bonds (distance) C4'-P energy: -105.564
bonds (distance) P-C4' energy: -108.201
flat angles C4'-P-C4' energy: -129.476
flat angles P-C4'-P energy: -72.118
tors. eta vs tors. theta energy: -155.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1458.166282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.166282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.166282 (E_RNA)
where:
Base-Base interactions energy: -974.503
where: short stacking energy: -413.180
Base-Backbone interact. energy: -1.452
local terms energy: -482.211081
where:
bonds (distance) C4'-P energy: -94.102
bonds (distance) P-C4' energy: -94.604
flat angles C4'-P-C4' energy: -122.580
flat angles P-C4'-P energy: -63.882
tors. eta vs tors. theta energy: -107.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1267.426209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.426209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.426209 (E_RNA)
where:
Base-Base interactions energy: -800.449
where: short stacking energy: -357.318
Base-Backbone interact. energy: -1.270
local terms energy: -465.706977
where:
bonds (distance) C4'-P energy: -78.369
bonds (distance) P-C4' energy: -99.726
flat angles C4'-P-C4' energy: -118.188
flat angles P-C4'-P energy: -75.153
tors. eta vs tors. theta energy: -94.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1055.423164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.423164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.423164 (E_RNA)
where:
Base-Base interactions energy: -647.350
where: short stacking energy: -292.236
Base-Backbone interact. energy: 2.197
local terms energy: -410.270187
where:
bonds (distance) C4'-P energy: -97.549
bonds (distance) P-C4' energy: -102.495
flat angles C4'-P-C4' energy: -96.254
flat angles P-C4'-P energy: -59.679
tors. eta vs tors. theta energy: -54.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -826.997214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.997214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.997214 (E_RNA)
where:
Base-Base interactions energy: -449.106
where: short stacking energy: -225.185
Base-Backbone interact. energy: 3.849
local terms energy: -381.739431
where:
bonds (distance) C4'-P energy: -93.594
bonds (distance) P-C4' energy: -110.827
flat angles C4'-P-C4' energy: -86.360
flat angles P-C4'-P energy: -64.519
tors. eta vs tors. theta energy: -26.439
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: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -464.104448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.104448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.104448 (E_RNA)
where:
Base-Base interactions energy: -157.420
where: short stacking energy: -147.991
Base-Backbone interact. energy: -1.146
local terms energy: -305.538504
where:
bonds (distance) C4'-P energy: -83.125
bonds (distance) P-C4' energy: -106.380
flat angles C4'-P-C4' energy: -74.818
flat angles P-C4'-P energy: -52.496
tors. eta vs tors. theta energy: 11.280
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: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2055.268397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.268397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.268397 (E_RNA)
where:
Base-Base interactions energy: -1427.956
where: short stacking energy: -586.774
Base-Backbone interact. energy: 0.790
local terms energy: -628.103070
where:
bonds (distance) C4'-P energy: -115.263
bonds (distance) P-C4' energy: -133.846
flat angles C4'-P-C4' energy: -132.173
flat angles P-C4'-P energy: -86.511
tors. eta vs tors. theta energy: -160.310
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: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1893.726052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.726052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.726052 (E_RNA)
where:
Base-Base interactions energy: -1283.736
where: short stacking energy: -556.178
Base-Backbone interact. energy: -2.058
local terms energy: -607.931393
where:
bonds (distance) C4'-P energy: -111.690
bonds (distance) P-C4' energy: -130.736
flat angles C4'-P-C4' energy: -117.508
flat angles P-C4'-P energy: -79.441
tors. eta vs tors. theta energy: -168.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1883.352439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.352439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.352439 (E_RNA)
where:
Base-Base interactions energy: -1301.743
where: short stacking energy: -537.122
Base-Backbone interact. energy: 4.664
local terms energy: -586.273295
where:
bonds (distance) C4'-P energy: -117.748
bonds (distance) P-C4' energy: -111.079
flat angles C4'-P-C4' energy: -121.019
flat angles P-C4'-P energy: -89.960
tors. eta vs tors. theta energy: -146.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1783.188918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.188918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.188918 (E_RNA)
where:
Base-Base interactions energy: -1226.839
where: short stacking energy: -503.829
Base-Backbone interact. energy: -2.750
local terms energy: -553.599813
where:
bonds (distance) C4'-P energy: -104.192
bonds (distance) P-C4' energy: -99.654
flat angles C4'-P-C4' energy: -118.033
flat angles P-C4'-P energy: -80.985
tors. eta vs tors. theta energy: -150.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1718.057347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.057347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.057347 (E_RNA)
where:
Base-Base interactions energy: -1182.549
where: short stacking energy: -510.714
Base-Backbone interact. energy: -4.649
local terms energy: -530.859056
where:
bonds (distance) C4'-P energy: -89.647
bonds (distance) P-C4' energy: -108.275
flat angles C4'-P-C4' energy: -118.819
flat angles P-C4'-P energy: -67.828
tors. eta vs tors. theta energy: -146.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1433.438507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.438507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.438507 (E_RNA)
where:
Base-Base interactions energy: -928.891
where: short stacking energy: -399.562
Base-Backbone interact. energy: -1.480
local terms energy: -503.066913
where:
bonds (distance) C4'-P energy: -103.647
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -116.771
flat angles P-C4'-P energy: -75.024
tors. eta vs tors. theta energy: -89.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1253.292674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.292674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.292674 (E_RNA)
where:
Base-Base interactions energy: -793.892
where: short stacking energy: -358.557
Base-Backbone interact. energy: -1.181
local terms energy: -458.219794
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -101.790
flat angles C4'-P-C4' energy: -104.620
flat angles P-C4'-P energy: -68.508
tors. eta vs tors. theta energy: -87.233
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: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1058.135917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.135917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.135917 (E_RNA)
where:
Base-Base interactions energy: -632.278
where: short stacking energy: -309.075
Base-Backbone interact. energy: -1.633
local terms energy: -424.225504
where:
bonds (distance) C4'-P energy: -93.161
bonds (distance) P-C4' energy: -99.707
flat angles C4'-P-C4' energy: -101.497
flat angles P-C4'-P energy: -62.027
tors. eta vs tors. theta energy: -67.834
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: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -827.365886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.365886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.365886 (E_RNA)
where:
Base-Base interactions energy: -489.921
where: short stacking energy: -241.140
Base-Backbone interact. energy: -2.898
local terms energy: -334.546861
where:
bonds (distance) C4'-P energy: -97.383
bonds (distance) P-C4' energy: -86.387
flat angles C4'-P-C4' energy: -76.507
flat angles P-C4'-P energy: -47.311
tors. eta vs tors. theta energy: -26.960
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: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -462.513792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.513792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.513792 (E_RNA)
where:
Base-Base interactions energy: -163.564
where: short stacking energy: -127.861
Base-Backbone interact. energy: -0.038
local terms energy: -298.911644
where:
bonds (distance) C4'-P energy: -87.327
bonds (distance) P-C4' energy: -117.381
flat angles C4'-P-C4' energy: -68.384
flat angles P-C4'-P energy: -32.656
tors. eta vs tors. theta energy: 6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2049.611807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.611807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.611807 (E_RNA)
where:
Base-Base interactions energy: -1417.786
where: short stacking energy: -564.337
Base-Backbone interact. energy: -3.904
local terms energy: -627.921570
where:
bonds (distance) C4'-P energy: -120.656
bonds (distance) P-C4' energy: -118.107
flat angles C4'-P-C4' energy: -135.595
flat angles P-C4'-P energy: -94.048
tors. eta vs tors. theta energy: -159.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1874.110973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.110973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.110973 (E_RNA)
where:
Base-Base interactions energy: -1281.850
where: short stacking energy: -527.945
Base-Backbone interact. energy: -2.993
local terms energy: -589.268076
where:
bonds (distance) C4'-P energy: -120.246
bonds (distance) P-C4' energy: -108.314
flat angles C4'-P-C4' energy: -121.311
flat angles P-C4'-P energy: -86.313
tors. eta vs tors. theta energy: -153.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1879.770251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.770251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.770251 (E_RNA)
where:
Base-Base interactions energy: -1314.679
where: short stacking energy: -533.340
Base-Backbone interact. energy: 3.441
local terms energy: -568.532588
where:
bonds (distance) C4'-P energy: -109.976
bonds (distance) P-C4' energy: -112.324
flat angles C4'-P-C4' energy: -125.234
flat angles P-C4'-P energy: -77.442
tors. eta vs tors. theta energy: -143.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1802.098516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.098516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.098516 (E_RNA)
where:
Base-Base interactions energy: -1228.478
where: short stacking energy: -524.530
Base-Backbone interact. energy: -1.094
local terms energy: -572.526686
where:
bonds (distance) C4'-P energy: -119.971
bonds (distance) P-C4' energy: -112.369
flat angles C4'-P-C4' energy: -113.840
flat angles P-C4'-P energy: -74.314
tors. eta vs tors. theta energy: -152.033
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: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1687.602745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.602745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.602745 (E_RNA)
where:
Base-Base interactions energy: -1157.619
where: short stacking energy: -484.443
Base-Backbone interact. energy: 4.249
local terms energy: -534.232407
where:
bonds (distance) C4'-P energy: -102.165
bonds (distance) P-C4' energy: -102.615
flat angles C4'-P-C4' energy: -115.109
flat angles P-C4'-P energy: -75.040
tors. eta vs tors. theta energy: -139.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1493.939440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.939440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.939440 (E_RNA)
where:
Base-Base interactions energy: -992.263
where: short stacking energy: -437.409
Base-Backbone interact. energy: 2.380
local terms energy: -504.056705
where:
bonds (distance) C4'-P energy: -115.466
bonds (distance) P-C4' energy: -88.359
flat angles C4'-P-C4' energy: -106.478
flat angles P-C4'-P energy: -77.205
tors. eta vs tors. theta energy: -116.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1262.812977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.812977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.812977 (E_RNA)
where:
Base-Base interactions energy: -817.558
where: short stacking energy: -379.632
Base-Backbone interact. energy: 0.365
local terms energy: -445.620585
where:
bonds (distance) C4'-P energy: -93.755
bonds (distance) P-C4' energy: -80.343
flat angles C4'-P-C4' energy: -108.955
flat angles P-C4'-P energy: -62.297
tors. eta vs tors. theta energy: -100.270
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: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1065.743143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.743143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.743143 (E_RNA)
where:
Base-Base interactions energy: -641.334
where: short stacking energy: -309.605
Base-Backbone interact. energy: 0.573
local terms energy: -424.982535
where:
bonds (distance) C4'-P energy: -97.682
bonds (distance) P-C4' energy: -106.984
flat angles C4'-P-C4' energy: -100.538
flat angles P-C4'-P energy: -50.497
tors. eta vs tors. theta energy: -69.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -804.542878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.542878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.542878 (E_RNA)
where:
Base-Base interactions energy: -438.186
where: short stacking energy: -212.557
Base-Backbone interact. energy: 1.702
local terms energy: -368.058959
where:
bonds (distance) C4'-P energy: -92.599
bonds (distance) P-C4' energy: -116.599
flat angles C4'-P-C4' energy: -82.737
flat angles P-C4'-P energy: -55.775
tors. eta vs tors. theta energy: -20.350
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: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -445.237135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.237135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.237135 (E_RNA)
where:
Base-Base interactions energy: -160.307
where: short stacking energy: -119.762
Base-Backbone interact. energy: 3.722
local terms energy: -288.652705
where:
bonds (distance) C4'-P energy: -90.671
bonds (distance) P-C4' energy: -94.427
flat angles C4'-P-C4' energy: -81.824
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: 29.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2068.800749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.800749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.800749 (E_RNA)
where:
Base-Base interactions energy: -1466.062
where: short stacking energy: -576.382
Base-Backbone interact. energy: 0.963
local terms energy: -603.701447
where:
bonds (distance) C4'-P energy: -107.610
bonds (distance) P-C4' energy: -125.682
flat angles C4'-P-C4' energy: -132.635
flat angles P-C4'-P energy: -79.212
tors. eta vs tors. theta energy: -158.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1884.453330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.453330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.453330 (E_RNA)
where:
Base-Base interactions energy: -1294.853
where: short stacking energy: -547.456
Base-Backbone interact. energy: 0.042
local terms energy: -589.643105
where:
bonds (distance) C4'-P energy: -108.083
bonds (distance) P-C4' energy: -117.218
flat angles C4'-P-C4' energy: -127.293
flat angles P-C4'-P energy: -82.205
tors. eta vs tors. theta energy: -154.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1864.675427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.675427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.675427 (E_RNA)
where:
Base-Base interactions energy: -1275.093
where: short stacking energy: -524.398
Base-Backbone interact. energy: -0.470
local terms energy: -589.112502
where:
bonds (distance) C4'-P energy: -108.527
bonds (distance) P-C4' energy: -108.737
flat angles C4'-P-C4' energy: -140.172
flat angles P-C4'-P energy: -85.180
tors. eta vs tors. theta energy: -146.497
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: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1775.884988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.884988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.884988 (E_RNA)
where:
Base-Base interactions energy: -1209.526
where: short stacking energy: -501.340
Base-Backbone interact. energy: -3.022
local terms energy: -563.336625
where:
bonds (distance) C4'-P energy: -121.539
bonds (distance) P-C4' energy: -98.293
flat angles C4'-P-C4' energy: -125.002
flat angles P-C4'-P energy: -74.767
tors. eta vs tors. theta energy: -143.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1653.355150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.355150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.355150 (E_RNA)
where:
Base-Base interactions energy: -1099.485
where: short stacking energy: -494.349
Base-Backbone interact. energy: -0.889
local terms energy: -552.981761
where:
bonds (distance) C4'-P energy: -107.548
bonds (distance) P-C4' energy: -111.253
flat angles C4'-P-C4' energy: -119.838
flat angles P-C4'-P energy: -75.957
tors. eta vs tors. theta energy: -138.386
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: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1502.365502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.365502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.365502 (E_RNA)
where:
Base-Base interactions energy: -973.322
where: short stacking energy: -431.211
Base-Backbone interact. energy: -1.508
local terms energy: -527.535787
where:
bonds (distance) C4'-P energy: -99.719
bonds (distance) P-C4' energy: -123.716
flat angles C4'-P-C4' energy: -115.203
flat angles P-C4'-P energy: -73.396
tors. eta vs tors. theta energy: -115.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1257.179402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.179402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.179402 (E_RNA)
where:
Base-Base interactions energy: -797.618
where: short stacking energy: -380.285
Base-Backbone interact. energy: -0.347
local terms energy: -459.214542
where:
bonds (distance) C4'-P energy: -94.303
bonds (distance) P-C4' energy: -107.639
flat angles C4'-P-C4' energy: -109.629
flat angles P-C4'-P energy: -62.848
tors. eta vs tors. theta energy: -84.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1083.108569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.108569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.108569 (E_RNA)
where:
Base-Base interactions energy: -655.245
where: short stacking energy: -302.248
Base-Backbone interact. energy: -2.838
local terms energy: -425.025890
where:
bonds (distance) C4'-P energy: -86.792
bonds (distance) P-C4' energy: -101.022
flat angles C4'-P-C4' energy: -90.875
flat angles P-C4'-P energy: -76.053
tors. eta vs tors. theta energy: -70.283
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: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -798.673676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.673676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.673676 (E_RNA)
where:
Base-Base interactions energy: -442.733
where: short stacking energy: -232.854
Base-Backbone interact. energy: -0.765
local terms energy: -355.174834
where:
bonds (distance) C4'-P energy: -83.924
bonds (distance) P-C4' energy: -96.582
flat angles C4'-P-C4' energy: -104.215
flat angles P-C4'-P energy: -53.798
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -480.364743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.364743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.364743 (E_RNA)
where:
Base-Base interactions energy: -164.778
where: short stacking energy: -128.441
Base-Backbone interact. energy: -1.551
local terms energy: -314.035120
where:
bonds (distance) C4'-P energy: -99.348
bonds (distance) P-C4' energy: -101.935
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -58.669
tors. eta vs tors. theta energy: 14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2046.137960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.137960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.137960 (E_RNA)
where:
Base-Base interactions energy: -1420.285
where: short stacking energy: -575.568
Base-Backbone interact. energy: -4.629
local terms energy: -621.224608
where:
bonds (distance) C4'-P energy: -114.299
bonds (distance) P-C4' energy: -119.492
flat angles C4'-P-C4' energy: -135.188
flat angles P-C4'-P energy: -91.391
tors. eta vs tors. theta energy: -160.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1886.298680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.298680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.298680 (E_RNA)
where:
Base-Base interactions energy: -1281.056
where: short stacking energy: -536.606
Base-Backbone interact. energy: -1.080
local terms energy: -604.162484
where:
bonds (distance) C4'-P energy: -126.071
bonds (distance) P-C4' energy: -104.965
flat angles C4'-P-C4' energy: -135.783
flat angles P-C4'-P energy: -76.920
tors. eta vs tors. theta energy: -160.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1872.127464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.127464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.127464 (E_RNA)
where:
Base-Base interactions energy: -1281.298
where: short stacking energy: -541.185
Base-Backbone interact. energy: 6.785
local terms energy: -597.614723
where:
bonds (distance) C4'-P energy: -117.766
bonds (distance) P-C4' energy: -122.511
flat angles C4'-P-C4' energy: -125.982
flat angles P-C4'-P energy: -89.833
tors. eta vs tors. theta energy: -141.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1800.687155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.687155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.687155 (E_RNA)
where:
Base-Base interactions energy: -1205.290
where: short stacking energy: -500.820
Base-Backbone interact. energy: -1.064
local terms energy: -594.333141
where:
bonds (distance) C4'-P energy: -114.537
bonds (distance) P-C4' energy: -124.265
flat angles C4'-P-C4' energy: -134.713
flat angles P-C4'-P energy: -70.120
tors. eta vs tors. theta energy: -150.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1668.683207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.683207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.683207 (E_RNA)
where:
Base-Base interactions energy: -1135.648
where: short stacking energy: -500.233
Base-Backbone interact. energy: -2.753
local terms energy: -530.282999
where:
bonds (distance) C4'-P energy: -92.433
bonds (distance) P-C4' energy: -108.221
flat angles C4'-P-C4' energy: -110.801
flat angles P-C4'-P energy: -81.573
tors. eta vs tors. theta energy: -137.255
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: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1536.512713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.512713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.512713 (E_RNA)
where:
Base-Base interactions energy: -1010.961
where: short stacking energy: -429.022
Base-Backbone interact. energy: -3.088
local terms energy: -522.464161
where:
bonds (distance) C4'-P energy: -113.615
bonds (distance) P-C4' energy: -98.669
flat angles C4'-P-C4' energy: -119.038
flat angles P-C4'-P energy: -64.057
tors. eta vs tors. theta energy: -127.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1229.367440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.367440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.367440 (E_RNA)
where:
Base-Base interactions energy: -767.893
where: short stacking energy: -344.571
Base-Backbone interact. energy: -1.745
local terms energy: -459.729927
where:
bonds (distance) C4'-P energy: -105.980
bonds (distance) P-C4' energy: -112.965
flat angles C4'-P-C4' energy: -103.249
flat angles P-C4'-P energy: -60.834
tors. eta vs tors. theta energy: -76.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1076.131785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.131785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.131785 (E_RNA)
where:
Base-Base interactions energy: -673.656
where: short stacking energy: -309.375
Base-Backbone interact. energy: 5.200
local terms energy: -407.675518
where:
bonds (distance) C4'-P energy: -83.533
bonds (distance) P-C4' energy: -109.434
flat angles C4'-P-C4' energy: -90.152
flat angles P-C4'-P energy: -62.533
tors. eta vs tors. theta energy: -62.023
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: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -834.314778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.314778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.314778 (E_RNA)
where:
Base-Base interactions energy: -471.084
where: short stacking energy: -246.436
Base-Backbone interact. energy: 0.563
local terms energy: -363.793908
where:
bonds (distance) C4'-P energy: -94.718
bonds (distance) P-C4' energy: -101.952
flat angles C4'-P-C4' energy: -76.864
flat angles P-C4'-P energy: -55.031
tors. eta vs tors. theta energy: -35.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -436.238797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.238797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.238797 (E_RNA)
where:
Base-Base interactions energy: -145.797
where: short stacking energy: -131.690
Base-Backbone interact. energy: 3.169
local terms energy: -293.611152
where:
bonds (distance) C4'-P energy: -83.883
bonds (distance) P-C4' energy: -97.614
flat angles C4'-P-C4' energy: -86.456
flat angles P-C4'-P energy: -42.366
tors. eta vs tors. theta energy: 16.708
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: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2083.328299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.328299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.328299 (E_RNA)
where:
Base-Base interactions energy: -1439.845
where: short stacking energy: -585.396
Base-Backbone interact. energy: -4.236
local terms energy: -639.246637
where:
bonds (distance) C4'-P energy: -126.829
bonds (distance) P-C4' energy: -117.636
flat angles C4'-P-C4' energy: -137.642
flat angles P-C4'-P energy: -88.217
tors. eta vs tors. theta energy: -168.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1944.380216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.380216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.380216 (E_RNA)
where:
Base-Base interactions energy: -1331.413
where: short stacking energy: -548.523
Base-Backbone interact. energy: -1.344
local terms energy: -611.622982
where:
bonds (distance) C4'-P energy: -123.528
bonds (distance) P-C4' energy: -114.646
flat angles C4'-P-C4' energy: -133.123
flat angles P-C4'-P energy: -81.944
tors. eta vs tors. theta energy: -158.382
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: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1839.371982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.371982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.371982 (E_RNA)
where:
Base-Base interactions energy: -1277.802
where: short stacking energy: -523.172
Base-Backbone interact. energy: -0.416
local terms energy: -561.153706
where:
bonds (distance) C4'-P energy: -97.604
bonds (distance) P-C4' energy: -96.131
flat angles C4'-P-C4' energy: -137.597
flat angles P-C4'-P energy: -77.890
tors. eta vs tors. theta energy: -151.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1813.667667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.667667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.667667 (E_RNA)
where:
Base-Base interactions energy: -1245.794
where: short stacking energy: -544.011
Base-Backbone interact. energy: -4.297
local terms energy: -563.576603
where:
bonds (distance) C4'-P energy: -111.809
bonds (distance) P-C4' energy: -109.340
flat angles C4'-P-C4' energy: -120.631
flat angles P-C4'-P energy: -60.813
tors. eta vs tors. theta energy: -160.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1737.182418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.182418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.182418 (E_RNA)
where:
Base-Base interactions energy: -1190.352
where: short stacking energy: -528.717
Base-Backbone interact. energy: 3.258
local terms energy: -550.088490
where:
bonds (distance) C4'-P energy: -105.073
bonds (distance) P-C4' energy: -106.503
flat angles C4'-P-C4' energy: -130.558
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -144.805
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: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1570.754969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.754969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.754969 (E_RNA)
where:
Base-Base interactions energy: -1047.955
where: short stacking energy: -449.910
Base-Backbone interact. energy: 0.025
local terms energy: -522.825023
where:
bonds (distance) C4'-P energy: -106.580
bonds (distance) P-C4' energy: -111.847
flat angles C4'-P-C4' energy: -115.916
flat angles P-C4'-P energy: -66.777
tors. eta vs tors. theta energy: -121.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1268.760010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.760010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.760010 (E_RNA)
where:
Base-Base interactions energy: -781.533
where: short stacking energy: -365.035
Base-Backbone interact. energy: 1.514
local terms energy: -488.740437
where:
bonds (distance) C4'-P energy: -100.375
bonds (distance) P-C4' energy: -116.491
flat angles C4'-P-C4' energy: -107.356
flat angles P-C4'-P energy: -72.410
tors. eta vs tors. theta energy: -92.109
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: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1110.971079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.971079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.971079 (E_RNA)
where:
Base-Base interactions energy: -721.865
where: short stacking energy: -309.750
Base-Backbone interact. energy: 1.083
local terms energy: -390.188792
where:
bonds (distance) C4'-P energy: -97.497
bonds (distance) P-C4' energy: -111.444
flat angles C4'-P-C4' energy: -74.355
flat angles P-C4'-P energy: -63.205
tors. eta vs tors. theta energy: -43.687
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: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -860.431128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.431128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.431128 (E_RNA)
where:
Base-Base interactions energy: -493.597
where: short stacking energy: -235.093
Base-Backbone interact. energy: 5.378
local terms energy: -372.212177
where:
bonds (distance) C4'-P energy: -106.735
bonds (distance) P-C4' energy: -95.487
flat angles C4'-P-C4' energy: -89.833
flat angles P-C4'-P energy: -49.528
tors. eta vs tors. theta energy: -30.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -447.306824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.306824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.306824 (E_RNA)
where:
Base-Base interactions energy: -151.855
where: short stacking energy: -118.066
Base-Backbone interact. energy: 0.135
local terms energy: -295.586721
where:
bonds (distance) C4'-P energy: -90.427
bonds (distance) P-C4' energy: -96.864
flat angles C4'-P-C4' energy: -76.109
flat angles P-C4'-P energy: -50.122
tors. eta vs tors. theta energy: 17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2088.798712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.798712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.798712 (E_RNA)
where:
Base-Base interactions energy: -1463.949
where: short stacking energy: -603.830
Base-Backbone interact. energy: -4.898
local terms energy: -619.952360
where:
bonds (distance) C4'-P energy: -98.149
bonds (distance) P-C4' energy: -124.522
flat angles C4'-P-C4' energy: -136.664
flat angles P-C4'-P energy: -88.345
tors. eta vs tors. theta energy: -172.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1931.168456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.168456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.168456 (E_RNA)
where:
Base-Base interactions energy: -1322.338
where: short stacking energy: -537.759
Base-Backbone interact. energy: -3.985
local terms energy: -604.845651
where:
bonds (distance) C4'-P energy: -118.088
bonds (distance) P-C4' energy: -120.207
flat angles C4'-P-C4' energy: -128.616
flat angles P-C4'-P energy: -87.733
tors. eta vs tors. theta energy: -150.202
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: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1845.924169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.924169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.924169 (E_RNA)
where:
Base-Base interactions energy: -1257.162
where: short stacking energy: -537.059
Base-Backbone interact. energy: -0.630
local terms energy: -588.131782
where:
bonds (distance) C4'-P energy: -109.232
bonds (distance) P-C4' energy: -117.182
flat angles C4'-P-C4' energy: -127.896
flat angles P-C4'-P energy: -80.956
tors. eta vs tors. theta energy: -152.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1775.741748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.741748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.741748 (E_RNA)
where:
Base-Base interactions energy: -1204.646
where: short stacking energy: -539.460
Base-Backbone interact. energy: -1.201
local terms energy: -569.894955
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -108.607
flat angles C4'-P-C4' energy: -122.318
flat angles P-C4'-P energy: -76.374
tors. eta vs tors. theta energy: -164.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1743.555527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.555527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.555527 (E_RNA)
where:
Base-Base interactions energy: -1182.417
where: short stacking energy: -524.033
Base-Backbone interact. energy: -1.332
local terms energy: -559.807009
where:
bonds (distance) C4'-P energy: -107.489
bonds (distance) P-C4' energy: -99.950
flat angles C4'-P-C4' energy: -112.948
flat angles P-C4'-P energy: -76.674
tors. eta vs tors. theta energy: -162.746
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1551.305124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.305124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.305124 (E_RNA)
where:
Base-Base interactions energy: -1016.048
where: short stacking energy: -441.203
Base-Backbone interact. energy: 0.842
local terms energy: -536.100002
where:
bonds (distance) C4'-P energy: -100.292
bonds (distance) P-C4' energy: -104.927
flat angles C4'-P-C4' energy: -129.504
flat angles P-C4'-P energy: -72.130
tors. eta vs tors. theta energy: -129.248
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: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1236.357803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.357803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.357803 (E_RNA)
where:
Base-Base interactions energy: -766.659
where: short stacking energy: -358.525
Base-Backbone interact. energy: -1.940
local terms energy: -467.759490
where:
bonds (distance) C4'-P energy: -81.835
bonds (distance) P-C4' energy: -110.683
flat angles C4'-P-C4' energy: -108.213
flat angles P-C4'-P energy: -82.014
tors. eta vs tors. theta energy: -85.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1045.775171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.775171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.775171 (E_RNA)
where:
Base-Base interactions energy: -644.515
where: short stacking energy: -295.835
Base-Backbone interact. energy: -1.120
local terms energy: -400.140979
where:
bonds (distance) C4'-P energy: -87.910
bonds (distance) P-C4' energy: -100.108
flat angles C4'-P-C4' energy: -84.654
flat angles P-C4'-P energy: -68.834
tors. eta vs tors. theta energy: -58.634
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: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -949.642478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.642478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.642478 (E_RNA)
where:
Base-Base interactions energy: -561.519
where: short stacking energy: -284.574
Base-Backbone interact. energy: -0.303
local terms energy: -387.820293
where:
bonds (distance) C4'-P energy: -87.670
bonds (distance) P-C4' energy: -98.015
flat angles C4'-P-C4' energy: -103.416
flat angles P-C4'-P energy: -53.309
tors. eta vs tors. theta energy: -45.410
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: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -522.468997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.468997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.468997 (E_RNA)
where:
Base-Base interactions energy: -220.545
where: short stacking energy: -143.382
Base-Backbone interact. energy: 2.321
local terms energy: -304.245437
where:
bonds (distance) C4'-P energy: -73.737
bonds (distance) P-C4' energy: -94.230
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -55.313
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2051.315358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.315358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.315358 (E_RNA)
where:
Base-Base interactions energy: -1415.722
where: short stacking energy: -575.980
Base-Backbone interact. energy: -3.723
local terms energy: -631.870989
where:
bonds (distance) C4'-P energy: -118.620
bonds (distance) P-C4' energy: -126.332
flat angles C4'-P-C4' energy: -127.170
flat angles P-C4'-P energy: -89.080
tors. eta vs tors. theta energy: -170.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1932.590424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.590424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.590424 (E_RNA)
where:
Base-Base interactions energy: -1323.037
where: short stacking energy: -556.362
Base-Backbone interact. energy: 4.523
local terms energy: -614.076536
where:
bonds (distance) C4'-P energy: -109.466
bonds (distance) P-C4' energy: -111.477
flat angles C4'-P-C4' energy: -131.028
flat angles P-C4'-P energy: -95.145
tors. eta vs tors. theta energy: -166.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1874.617993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.617993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.617993 (E_RNA)
where:
Base-Base interactions energy: -1315.048
where: short stacking energy: -541.847
Base-Backbone interact. energy: -0.382
local terms energy: -559.188096
where:
bonds (distance) C4'-P energy: -121.422
bonds (distance) P-C4' energy: -107.934
flat angles C4'-P-C4' energy: -125.534
flat angles P-C4'-P energy: -75.860
tors. eta vs tors. theta energy: -128.438
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: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1784.284972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.284972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.284972 (E_RNA)
where:
Base-Base interactions energy: -1194.758
where: short stacking energy: -512.170
Base-Backbone interact. energy: -1.996
local terms energy: -587.531168
where:
bonds (distance) C4'-P energy: -105.689
bonds (distance) P-C4' energy: -114.532
flat angles C4'-P-C4' energy: -130.706
flat angles P-C4'-P energy: -80.908
tors. eta vs tors. theta energy: -155.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1681.986386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.986386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.986386 (E_RNA)
where:
Base-Base interactions energy: -1127.221
where: short stacking energy: -497.102
Base-Backbone interact. energy: -3.358
local terms energy: -551.407831
where:
bonds (distance) C4'-P energy: -103.157
bonds (distance) P-C4' energy: -117.093
flat angles C4'-P-C4' energy: -116.965
flat angles P-C4'-P energy: -72.170
tors. eta vs tors. theta energy: -142.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1563.855985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.855985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.855985 (E_RNA)
where:
Base-Base interactions energy: -1046.347
where: short stacking energy: -441.047
Base-Backbone interact. energy: -1.223
local terms energy: -516.285391
where:
bonds (distance) C4'-P energy: -106.284
bonds (distance) P-C4' energy: -97.574
flat angles C4'-P-C4' energy: -129.741
flat angles P-C4'-P energy: -75.307
tors. eta vs tors. theta energy: -107.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1183.029837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.029837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.029837 (E_RNA)
where:
Base-Base interactions energy: -748.780
where: short stacking energy: -344.341
Base-Backbone interact. energy: -2.105
local terms energy: -432.144198
where:
bonds (distance) C4'-P energy: -107.873
bonds (distance) P-C4' energy: -99.685
flat angles C4'-P-C4' energy: -112.433
flat angles P-C4'-P energy: -34.249
tors. eta vs tors. theta energy: -77.905
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: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -908.481709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.481709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.481709 (E_RNA)
where:
Base-Base interactions energy: -540.015
where: short stacking energy: -255.960
Base-Backbone interact. energy: -1.707
local terms energy: -366.759659
where:
bonds (distance) C4'-P energy: -96.910
bonds (distance) P-C4' energy: -88.155
flat angles C4'-P-C4' energy: -99.980
flat angles P-C4'-P energy: -53.229
tors. eta vs tors. theta energy: -28.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -992.784513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.784513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.784513 (E_RNA)
where:
Base-Base interactions energy: -614.652
where: short stacking energy: -280.007
Base-Backbone interact. energy: 2.193
local terms energy: -380.324704
where:
bonds (distance) C4'-P energy: -94.141
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -98.695
flat angles P-C4'-P energy: -58.336
tors. eta vs tors. theta energy: -38.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -522.868979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.868979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.868979 (E_RNA)
where:
Base-Base interactions energy: -229.418
where: short stacking energy: -173.192
Base-Backbone interact. energy: 1.056
local terms energy: -294.506912
where:
bonds (distance) C4'-P energy: -91.059
bonds (distance) P-C4' energy: -81.245
flat angles C4'-P-C4' energy: -101.958
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2055.505740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.505740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.505740 (E_RNA)
where:
Base-Base interactions energy: -1421.807
where: short stacking energy: -577.769
Base-Backbone interact. energy: -2.938
local terms energy: -630.760667
where:
bonds (distance) C4'-P energy: -117.840
bonds (distance) P-C4' energy: -119.893
flat angles C4'-P-C4' energy: -136.039
flat angles P-C4'-P energy: -84.436
tors. eta vs tors. theta energy: -172.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1917.686833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.686833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.686833 (E_RNA)
where:
Base-Base interactions energy: -1326.333
where: short stacking energy: -549.575
Base-Backbone interact. energy: -1.949
local terms energy: -589.404203
where:
bonds (distance) C4'-P energy: -107.842
bonds (distance) P-C4' energy: -108.672
flat angles C4'-P-C4' energy: -127.351
flat angles P-C4'-P energy: -78.885
tors. eta vs tors. theta energy: -166.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1895.956986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.956986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.956986 (E_RNA)
where:
Base-Base interactions energy: -1286.315
where: short stacking energy: -528.732
Base-Backbone interact. energy: -1.281
local terms energy: -608.361078
where:
bonds (distance) C4'-P energy: -115.094
bonds (distance) P-C4' energy: -116.342
flat angles C4'-P-C4' energy: -140.864
flat angles P-C4'-P energy: -77.279
tors. eta vs tors. theta energy: -158.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1769.687648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.687648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.687648 (E_RNA)
where:
Base-Base interactions energy: -1194.460
where: short stacking energy: -509.309
Base-Backbone interact. energy: -0.207
local terms energy: -575.020176
where:
bonds (distance) C4'-P energy: -111.081
bonds (distance) P-C4' energy: -125.023
flat angles C4'-P-C4' energy: -109.808
flat angles P-C4'-P energy: -83.709
tors. eta vs tors. theta energy: -145.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1681.948468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.948468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.948468 (E_RNA)
where:
Base-Base interactions energy: -1131.125
where: short stacking energy: -503.940
Base-Backbone interact. energy: -3.712
local terms energy: -547.111042
where:
bonds (distance) C4'-P energy: -97.562
bonds (distance) P-C4' energy: -99.545
flat angles C4'-P-C4' energy: -122.791
flat angles P-C4'-P energy: -84.552
tors. eta vs tors. theta energy: -142.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1527.610000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.610000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.610000 (E_RNA)
where:
Base-Base interactions energy: -1021.252
where: short stacking energy: -448.743
Base-Backbone interact. energy: 1.894
local terms energy: -508.251474
where:
bonds (distance) C4'-P energy: -99.379
bonds (distance) P-C4' energy: -99.498
flat angles C4'-P-C4' energy: -113.378
flat angles P-C4'-P energy: -81.713
tors. eta vs tors. theta energy: -114.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1176.309761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.309761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.309761 (E_RNA)
where:
Base-Base interactions energy: -725.988
where: short stacking energy: -332.237
Base-Backbone interact. energy: -2.632
local terms energy: -447.689805
where:
bonds (distance) C4'-P energy: -101.464
bonds (distance) P-C4' energy: -105.445
flat angles C4'-P-C4' energy: -106.779
flat angles P-C4'-P energy: -64.977
tors. eta vs tors. theta energy: -69.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -961.198705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.198705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.198705 (E_RNA)
where:
Base-Base interactions energy: -557.448
where: short stacking energy: -277.653
Base-Backbone interact. energy: 0.211
local terms energy: -403.961724
where:
bonds (distance) C4'-P energy: -86.986
bonds (distance) P-C4' energy: -99.150
flat angles C4'-P-C4' energy: -109.823
flat angles P-C4'-P energy: -69.236
tors. eta vs tors. theta energy: -38.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -950.884734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.884734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.884734 (E_RNA)
where:
Base-Base interactions energy: -595.637
where: short stacking energy: -241.096
Base-Backbone interact. energy: -2.670
local terms energy: -352.577214
where:
bonds (distance) C4'-P energy: -89.341
bonds (distance) P-C4' energy: -87.639
flat angles C4'-P-C4' energy: -85.260
flat angles P-C4'-P energy: -62.093
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -586.114506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.114506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.114506 (E_RNA)
where:
Base-Base interactions energy: -276.715
where: short stacking energy: -173.961
Base-Backbone interact. energy: 0.392
local terms energy: -309.791872
where:
bonds (distance) C4'-P energy: -89.327
bonds (distance) P-C4' energy: -72.548
flat angles C4'-P-C4' energy: -91.161
flat angles P-C4'-P energy: -42.955
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2047.983540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.983540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.983540 (E_RNA)
where:
Base-Base interactions energy: -1425.795
where: short stacking energy: -583.596
Base-Backbone interact. energy: -3.533
local terms energy: -618.654899
where:
bonds (distance) C4'-P energy: -120.395
bonds (distance) P-C4' energy: -124.097
flat angles C4'-P-C4' energy: -128.718
flat angles P-C4'-P energy: -75.191
tors. eta vs tors. theta energy: -170.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1932.856238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.856238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.856238 (E_RNA)
where:
Base-Base interactions energy: -1318.063
where: short stacking energy: -547.608
Base-Backbone interact. energy: -1.169
local terms energy: -613.623788
where:
bonds (distance) C4'-P energy: -122.282
bonds (distance) P-C4' energy: -113.223
flat angles C4'-P-C4' energy: -125.946
flat angles P-C4'-P energy: -87.298
tors. eta vs tors. theta energy: -164.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1898.624774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.624774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.624774 (E_RNA)
where:
Base-Base interactions energy: -1326.240
where: short stacking energy: -539.311
Base-Backbone interact. energy: -3.530
local terms energy: -568.854441
where:
bonds (distance) C4'-P energy: -102.116
bonds (distance) P-C4' energy: -114.839
flat angles C4'-P-C4' energy: -120.718
flat angles P-C4'-P energy: -77.314
tors. eta vs tors. theta energy: -153.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1747.475940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.475940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.475940 (E_RNA)
where:
Base-Base interactions energy: -1166.837
where: short stacking energy: -525.136
Base-Backbone interact. energy: -0.068
local terms energy: -580.570556
where:
bonds (distance) C4'-P energy: -106.678
bonds (distance) P-C4' energy: -104.459
flat angles C4'-P-C4' energy: -126.497
flat angles P-C4'-P energy: -79.211
tors. eta vs tors. theta energy: -163.727
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: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1676.205397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.205397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.205397 (E_RNA)
where:
Base-Base interactions energy: -1159.346
where: short stacking energy: -484.087
Base-Backbone interact. energy: -2.628
local terms energy: -514.232132
where:
bonds (distance) C4'-P energy: -99.719
bonds (distance) P-C4' energy: -94.661
flat angles C4'-P-C4' energy: -102.970
flat angles P-C4'-P energy: -71.276
tors. eta vs tors. theta energy: -145.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1532.515929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.515929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.515929 (E_RNA)
where:
Base-Base interactions energy: -1023.833
where: short stacking energy: -438.821
Base-Backbone interact. energy: 1.797
local terms energy: -510.479738
where:
bonds (distance) C4'-P energy: -81.692
bonds (distance) P-C4' energy: -102.341
flat angles C4'-P-C4' energy: -118.482
flat angles P-C4'-P energy: -91.155
tors. eta vs tors. theta energy: -116.809
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: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1169.799539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.799539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.799539 (E_RNA)
where:
Base-Base interactions energy: -726.971
where: short stacking energy: -322.344
Base-Backbone interact. energy: -0.654
local terms energy: -442.174184
where:
bonds (distance) C4'-P energy: -105.646
bonds (distance) P-C4' energy: -97.719
flat angles C4'-P-C4' energy: -98.278
flat angles P-C4'-P energy: -65.900
tors. eta vs tors. theta energy: -74.631
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: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -969.497688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.497688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.497688 (E_RNA)
where:
Base-Base interactions energy: -560.273
where: short stacking energy: -283.270
Base-Backbone interact. energy: -0.260
local terms energy: -408.964609
where:
bonds (distance) C4'-P energy: -98.350
bonds (distance) P-C4' energy: -93.534
flat angles C4'-P-C4' energy: -97.166
flat angles P-C4'-P energy: -76.644
tors. eta vs tors. theta energy: -43.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -938.237736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.237736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.237736 (E_RNA)
where:
Base-Base interactions energy: -553.402
where: short stacking energy: -262.952
Base-Backbone interact. energy: 0.938
local terms energy: -385.774013
where:
bonds (distance) C4'-P energy: -83.864
bonds (distance) P-C4' energy: -129.357
flat angles C4'-P-C4' energy: -82.689
flat angles P-C4'-P energy: -55.660
tors. eta vs tors. theta energy: -34.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -524.352214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.352214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.352214 (E_RNA)
where:
Base-Base interactions energy: -238.711
where: short stacking energy: -148.216
Base-Backbone interact. energy: 1.610
local terms energy: -287.251497
where:
bonds (distance) C4'-P energy: -84.780
bonds (distance) P-C4' energy: -98.912
flat angles C4'-P-C4' energy: -85.349
flat angles P-C4'-P energy: -29.883
tors. eta vs tors. theta energy: 11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2065.722525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.722525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.722525 (E_RNA)
where:
Base-Base interactions energy: -1450.218
where: short stacking energy: -567.723
Base-Backbone interact. energy: -3.305
local terms energy: -612.199185
where:
bonds (distance) C4'-P energy: -112.691
bonds (distance) P-C4' energy: -117.556
flat angles C4'-P-C4' energy: -135.279
flat angles P-C4'-P energy: -82.254
tors. eta vs tors. theta energy: -164.419
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: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1907.464781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.464781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.464781 (E_RNA)
where:
Base-Base interactions energy: -1302.530
where: short stacking energy: -539.621
Base-Backbone interact. energy: -3.145
local terms energy: -601.789509
where:
bonds (distance) C4'-P energy: -114.817
bonds (distance) P-C4' energy: -119.490
flat angles C4'-P-C4' energy: -129.075
flat angles P-C4'-P energy: -85.583
tors. eta vs tors. theta energy: -152.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1881.047571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.047571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.047571 (E_RNA)
where:
Base-Base interactions energy: -1305.174
where: short stacking energy: -522.820
Base-Backbone interact. energy: 0.334
local terms energy: -576.206867
where:
bonds (distance) C4'-P energy: -117.754
bonds (distance) P-C4' energy: -113.067
flat angles C4'-P-C4' energy: -121.168
flat angles P-C4'-P energy: -79.611
tors. eta vs tors. theta energy: -144.607
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: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1740.933529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.933529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.933529 (E_RNA)
where:
Base-Base interactions energy: -1187.521
where: short stacking energy: -504.022
Base-Backbone interact. energy: -3.892
local terms energy: -549.520323
where:
bonds (distance) C4'-P energy: -104.009
bonds (distance) P-C4' energy: -106.072
flat angles C4'-P-C4' energy: -115.350
flat angles P-C4'-P energy: -69.845
tors. eta vs tors. theta energy: -154.244
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: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1605.242590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.242590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.242590 (E_RNA)
where:
Base-Base interactions energy: -1064.006
where: short stacking energy: -455.119
Base-Backbone interact. energy: -2.535
local terms energy: -538.701642
where:
bonds (distance) C4'-P energy: -106.386
bonds (distance) P-C4' energy: -106.874
flat angles C4'-P-C4' energy: -120.519
flat angles P-C4'-P energy: -83.567
tors. eta vs tors. theta energy: -121.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1661.774334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.774334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.774334 (E_RNA)
where:
Base-Base interactions energy: -1131.465
where: short stacking energy: -480.304
Base-Backbone interact. energy: -2.136
local terms energy: -528.173482
where:
bonds (distance) C4'-P energy: -104.245
bonds (distance) P-C4' energy: -100.659
flat angles C4'-P-C4' energy: -116.916
flat angles P-C4'-P energy: -66.981
tors. eta vs tors. theta energy: -139.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1045.053851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.053851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.053851 (E_RNA)
where:
Base-Base interactions energy: -618.458
where: short stacking energy: -290.644
Base-Backbone interact. energy: -1.748
local terms energy: -424.847740
where:
bonds (distance) C4'-P energy: -96.348
bonds (distance) P-C4' energy: -107.748
flat angles C4'-P-C4' energy: -105.437
flat angles P-C4'-P energy: -62.694
tors. eta vs tors. theta energy: -52.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1088.911064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.911064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.911064 (E_RNA)
where:
Base-Base interactions energy: -690.478
where: short stacking energy: -298.061
Base-Backbone interact. energy: -1.295
local terms energy: -397.138478
where:
bonds (distance) C4'-P energy: -97.876
bonds (distance) P-C4' energy: -83.648
flat angles C4'-P-C4' energy: -86.841
flat angles P-C4'-P energy: -69.698
tors. eta vs tors. theta energy: -59.075
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: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -957.345374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.345374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.345374 (E_RNA)
where:
Base-Base interactions energy: -596.226
where: short stacking energy: -263.127
Base-Backbone interact. energy: 3.760
local terms energy: -364.879147
where:
bonds (distance) C4'-P energy: -102.246
bonds (distance) P-C4' energy: -85.520
flat angles C4'-P-C4' energy: -101.515
flat angles P-C4'-P energy: -57.500
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -501.183751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.183751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.183751 (E_RNA)
where:
Base-Base interactions energy: -210.199
where: short stacking energy: -157.337
Base-Backbone interact. energy: -0.972
local terms energy: -290.012104
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -89.859
flat angles C4'-P-C4' energy: -74.377
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: 0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2053.860918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.860918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.860918 (E_RNA)
where:
Base-Base interactions energy: -1431.072
where: short stacking energy: -574.833
Base-Backbone interact. energy: -5.289
local terms energy: -617.500622
where:
bonds (distance) C4'-P energy: -117.184
bonds (distance) P-C4' energy: -124.030
flat angles C4'-P-C4' energy: -132.792
flat angles P-C4'-P energy: -81.815
tors. eta vs tors. theta energy: -161.680
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: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1911.919275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.919275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.919275 (E_RNA)
where:
Base-Base interactions energy: -1310.878
where: short stacking energy: -541.913
Base-Backbone interact. energy: -5.225
local terms energy: -595.816687
where:
bonds (distance) C4'-P energy: -110.591
bonds (distance) P-C4' energy: -114.379
flat angles C4'-P-C4' energy: -126.555
flat angles P-C4'-P energy: -87.770
tors. eta vs tors. theta energy: -156.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1878.404529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.404529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.404529 (E_RNA)
where:
Base-Base interactions energy: -1279.957
where: short stacking energy: -511.960
Base-Backbone interact. energy: -0.867
local terms energy: -597.580199
where:
bonds (distance) C4'-P energy: -114.440
bonds (distance) P-C4' energy: -112.060
flat angles C4'-P-C4' energy: -134.470
flat angles P-C4'-P energy: -90.066
tors. eta vs tors. theta energy: -146.543
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: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1722.387476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.387476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.387476 (E_RNA)
where:
Base-Base interactions energy: -1152.124
where: short stacking energy: -515.764
Base-Backbone interact. energy: -0.484
local terms energy: -569.778719
where:
bonds (distance) C4'-P energy: -110.020
bonds (distance) P-C4' energy: -113.000
flat angles C4'-P-C4' energy: -117.534
flat angles P-C4'-P energy: -81.593
tors. eta vs tors. theta energy: -147.631
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: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1593.541537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.541537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.541537 (E_RNA)
where:
Base-Base interactions energy: -1046.483
where: short stacking energy: -472.043
Base-Backbone interact. energy: 2.736
local terms energy: -549.794533
where:
bonds (distance) C4'-P energy: -96.584
bonds (distance) P-C4' energy: -109.721
flat angles C4'-P-C4' energy: -126.275
flat angles P-C4'-P energy: -72.375
tors. eta vs tors. theta energy: -144.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1613.271579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.271579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.271579 (E_RNA)
where:
Base-Base interactions energy: -1107.689
where: short stacking energy: -453.315
Base-Backbone interact. energy: 3.582
local terms energy: -509.164474
where:
bonds (distance) C4'-P energy: -100.989
bonds (distance) P-C4' energy: -92.087
flat angles C4'-P-C4' energy: -111.411
flat angles P-C4'-P energy: -72.892
tors. eta vs tors. theta energy: -131.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1037.875150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.875150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.875150 (E_RNA)
where:
Base-Base interactions energy: -602.569
where: short stacking energy: -304.021
Base-Backbone interact. energy: 0.331
local terms energy: -435.637111
where:
bonds (distance) C4'-P energy: -98.445
bonds (distance) P-C4' energy: -120.134
flat angles C4'-P-C4' energy: -96.884
flat angles P-C4'-P energy: -66.715
tors. eta vs tors. theta energy: -53.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -978.456902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.456902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.456902 (E_RNA)
where:
Base-Base interactions energy: -601.601
where: short stacking energy: -286.137
Base-Backbone interact. energy: -2.405
local terms energy: -374.450769
where:
bonds (distance) C4'-P energy: -90.985
bonds (distance) P-C4' energy: -92.692
flat angles C4'-P-C4' energy: -85.697
flat angles P-C4'-P energy: -52.060
tors. eta vs tors. theta energy: -53.018
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: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -851.805795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.805795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.805795 (E_RNA)
where:
Base-Base interactions energy: -497.843
where: short stacking energy: -228.553
Base-Backbone interact. energy: -1.157
local terms energy: -352.806027
where:
bonds (distance) C4'-P energy: -77.481
bonds (distance) P-C4' energy: -102.453
flat angles C4'-P-C4' energy: -78.099
flat angles P-C4'-P energy: -60.991
tors. eta vs tors. theta energy: -33.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -434.022748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.022748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.022748 (E_RNA)
where:
Base-Base interactions energy: -131.971
where: short stacking energy: -117.973
Base-Backbone interact. energy: -0.604
local terms energy: -301.447023
where:
bonds (distance) C4'-P energy: -98.669
bonds (distance) P-C4' energy: -93.672
flat angles C4'-P-C4' energy: -87.089
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: 18.048
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: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2045.530803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.530803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.530803 (E_RNA)
where:
Base-Base interactions energy: -1413.703
where: short stacking energy: -571.046
Base-Backbone interact. energy: -6.849
local terms energy: -624.979019
where:
bonds (distance) C4'-P energy: -111.131
bonds (distance) P-C4' energy: -120.099
flat angles C4'-P-C4' energy: -126.510
flat angles P-C4'-P energy: -95.412
tors. eta vs tors. theta energy: -171.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1924.614765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.614765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.614765 (E_RNA)
where:
Base-Base interactions energy: -1319.857
where: short stacking energy: -555.861
Base-Backbone interact. energy: -1.970
local terms energy: -602.787652
where:
bonds (distance) C4'-P energy: -108.241
bonds (distance) P-C4' energy: -111.096
flat angles C4'-P-C4' energy: -131.877
flat angles P-C4'-P energy: -85.867
tors. eta vs tors. theta energy: -165.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1873.073221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.073221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.073221 (E_RNA)
where:
Base-Base interactions energy: -1292.657
where: short stacking energy: -530.192
Base-Backbone interact. energy: 1.899
local terms energy: -582.315609
where:
bonds (distance) C4'-P energy: -104.843
bonds (distance) P-C4' energy: -106.921
flat angles C4'-P-C4' energy: -131.499
flat angles P-C4'-P energy: -83.312
tors. eta vs tors. theta energy: -155.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1726.099531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.099531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.099531 (E_RNA)
where:
Base-Base interactions energy: -1183.342
where: short stacking energy: -492.013
Base-Backbone interact. energy: -0.971
local terms energy: -541.787075
where:
bonds (distance) C4'-P energy: -89.025
bonds (distance) P-C4' energy: -116.337
flat angles C4'-P-C4' energy: -120.053
flat angles P-C4'-P energy: -69.507
tors. eta vs tors. theta energy: -146.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1652.463264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.463264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.463264 (E_RNA)
where:
Base-Base interactions energy: -1111.617
where: short stacking energy: -475.162
Base-Backbone interact. energy: -2.499
local terms energy: -538.347137
where:
bonds (distance) C4'-P energy: -97.337
bonds (distance) P-C4' energy: -111.372
flat angles C4'-P-C4' energy: -115.419
flat angles P-C4'-P energy: -80.713
tors. eta vs tors. theta energy: -133.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1564.798642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.798642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.798642 (E_RNA)
where:
Base-Base interactions energy: -1028.507
where: short stacking energy: -444.552
Base-Backbone interact. energy: 1.611
local terms energy: -537.902290
where:
bonds (distance) C4'-P energy: -104.820
bonds (distance) P-C4' energy: -115.188
flat angles C4'-P-C4' energy: -118.204
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -129.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1023.487795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.487795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.487795 (E_RNA)
where:
Base-Base interactions energy: -602.284
where: short stacking energy: -297.119
Base-Backbone interact. energy: -2.546
local terms energy: -418.657318
where:
bonds (distance) C4'-P energy: -108.350
bonds (distance) P-C4' energy: -101.882
flat angles C4'-P-C4' energy: -102.238
flat angles P-C4'-P energy: -63.993
tors. eta vs tors. theta energy: -42.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -983.273142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.273142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.273142 (E_RNA)
where:
Base-Base interactions energy: -592.796
where: short stacking energy: -293.196
Base-Backbone interact. energy: -1.742
local terms energy: -388.735594
where:
bonds (distance) C4'-P energy: -100.393
bonds (distance) P-C4' energy: -93.214
flat angles C4'-P-C4' energy: -83.632
flat angles P-C4'-P energy: -62.421
tors. eta vs tors. theta energy: -49.076
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: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -855.415626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.415626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.415626 (E_RNA)
where:
Base-Base interactions energy: -512.654
where: short stacking energy: -254.891
Base-Backbone interact. energy: -5.409
local terms energy: -337.352575
where:
bonds (distance) C4'-P energy: -89.454
bonds (distance) P-C4' energy: -88.924
flat angles C4'-P-C4' energy: -88.397
flat angles P-C4'-P energy: -47.491
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -471.891633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.891633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.891633 (E_RNA)
where:
Base-Base interactions energy: -174.585
where: short stacking energy: -145.146
Base-Backbone interact. energy: 3.562
local terms energy: -300.868608
where:
bonds (distance) C4'-P energy: -98.320
bonds (distance) P-C4' energy: -98.783
flat angles C4'-P-C4' energy: -70.223
flat angles P-C4'-P energy: -54.736
tors. eta vs tors. theta energy: 21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2053.953733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.953733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.953733 (E_RNA)
where:
Base-Base interactions energy: -1414.025
where: short stacking energy: -579.878
Base-Backbone interact. energy: -0.202
local terms energy: -639.726136
where:
bonds (distance) C4'-P energy: -120.510
bonds (distance) P-C4' energy: -116.417
flat angles C4'-P-C4' energy: -144.866
flat angles P-C4'-P energy: -88.358
tors. eta vs tors. theta energy: -169.575
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: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1911.437629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.437629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.437629 (E_RNA)
where:
Base-Base interactions energy: -1329.550
where: short stacking energy: -545.316
Base-Backbone interact. energy: -1.729
local terms energy: -580.159412
where:
bonds (distance) C4'-P energy: -105.772
bonds (distance) P-C4' energy: -118.001
flat angles C4'-P-C4' energy: -119.077
flat angles P-C4'-P energy: -78.152
tors. eta vs tors. theta energy: -159.157
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: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1919.659159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.659159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.659159 (E_RNA)
where:
Base-Base interactions energy: -1343.442
where: short stacking energy: -561.744
Base-Backbone interact. energy: 3.598
local terms energy: -579.815741
where:
bonds (distance) C4'-P energy: -110.371
bonds (distance) P-C4' energy: -116.954
flat angles C4'-P-C4' energy: -128.797
flat angles P-C4'-P energy: -76.025
tors. eta vs tors. theta energy: -147.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1705.936050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.936050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.936050 (E_RNA)
where:
Base-Base interactions energy: -1146.737
where: short stacking energy: -483.852
Base-Backbone interact. energy: -3.049
local terms energy: -556.150320
where:
bonds (distance) C4'-P energy: -97.023
bonds (distance) P-C4' energy: -104.507
flat angles C4'-P-C4' energy: -132.771
flat angles P-C4'-P energy: -78.251
tors. eta vs tors. theta energy: -143.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1657.799488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.799488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.799488 (E_RNA)
where:
Base-Base interactions energy: -1117.295
where: short stacking energy: -506.362
Base-Backbone interact. energy: -1.419
local terms energy: -539.085736
where:
bonds (distance) C4'-P energy: -94.116
bonds (distance) P-C4' energy: -101.290
flat angles C4'-P-C4' energy: -117.243
flat angles P-C4'-P energy: -84.900
tors. eta vs tors. theta energy: -141.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1500.005586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.005586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.005586 (E_RNA)
where:
Base-Base interactions energy: -977.822
where: short stacking energy: -436.981
Base-Backbone interact. energy: -1.595
local terms energy: -520.589136
where:
bonds (distance) C4'-P energy: -110.460
bonds (distance) P-C4' energy: -108.297
flat angles C4'-P-C4' energy: -115.124
flat angles P-C4'-P energy: -72.880
tors. eta vs tors. theta energy: -113.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1048.124728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.124728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.124728 (E_RNA)
where:
Base-Base interactions energy: -597.566
where: short stacking energy: -295.443
Base-Backbone interact. energy: -3.200
local terms energy: -447.358586
where:
bonds (distance) C4'-P energy: -100.899
bonds (distance) P-C4' energy: -115.268
flat angles C4'-P-C4' energy: -112.861
flat angles P-C4'-P energy: -62.747
tors. eta vs tors. theta energy: -55.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1021.491834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.491834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.491834 (E_RNA)
where:
Base-Base interactions energy: -623.279
where: short stacking energy: -314.009
Base-Backbone interact. energy: 4.208
local terms energy: -402.421474
where:
bonds (distance) C4'-P energy: -89.118
bonds (distance) P-C4' energy: -76.811
flat angles C4'-P-C4' energy: -101.539
flat angles P-C4'-P energy: -69.528
tors. eta vs tors. theta energy: -65.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -893.157572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.157572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.157572 (E_RNA)
where:
Base-Base interactions energy: -519.703
where: short stacking energy: -237.945
Base-Backbone interact. energy: -1.038
local terms energy: -372.416242
where:
bonds (distance) C4'-P energy: -95.228
bonds (distance) P-C4' energy: -97.141
flat angles C4'-P-C4' energy: -88.487
flat angles P-C4'-P energy: -57.318
tors. eta vs tors. theta energy: -34.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -495.138143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.138143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.138143 (E_RNA)
where:
Base-Base interactions energy: -184.083
where: short stacking energy: -135.138
Base-Backbone interact. energy: 5.662
local terms energy: -316.717751
where:
bonds (distance) C4'-P energy: -97.035
bonds (distance) P-C4' energy: -105.713
flat angles C4'-P-C4' energy: -72.593
flat angles P-C4'-P energy: -51.215
tors. eta vs tors. theta energy: 9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2075.933261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.933261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.933261 (E_RNA)
where:
Base-Base interactions energy: -1447.788
where: short stacking energy: -575.136
Base-Backbone interact. energy: -3.050
local terms energy: -625.095833
where:
bonds (distance) C4'-P energy: -123.809
bonds (distance) P-C4' energy: -116.266
flat angles C4'-P-C4' energy: -132.320
flat angles P-C4'-P energy: -76.332
tors. eta vs tors. theta energy: -176.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1939.803783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.803783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.803783 (E_RNA)
where:
Base-Base interactions energy: -1333.245
where: short stacking energy: -564.607
Base-Backbone interact. energy: -5.039
local terms energy: -601.519158
where:
bonds (distance) C4'-P energy: -107.157
bonds (distance) P-C4' energy: -122.112
flat angles C4'-P-C4' energy: -133.654
flat angles P-C4'-P energy: -81.725
tors. eta vs tors. theta energy: -156.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1891.445062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.445062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.445062 (E_RNA)
where:
Base-Base interactions energy: -1321.618
where: short stacking energy: -532.795
Base-Backbone interact. energy: 1.822
local terms energy: -571.649305
where:
bonds (distance) C4'-P energy: -105.218
bonds (distance) P-C4' energy: -114.688
flat angles C4'-P-C4' energy: -124.610
flat angles P-C4'-P energy: -84.559
tors. eta vs tors. theta energy: -142.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1741.439093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.439093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.439093 (E_RNA)
where:
Base-Base interactions energy: -1180.867
where: short stacking energy: -500.684
Base-Backbone interact. energy: 0.229
local terms energy: -560.801069
where:
bonds (distance) C4'-P energy: -100.625
bonds (distance) P-C4' energy: -109.132
flat angles C4'-P-C4' energy: -125.620
flat angles P-C4'-P energy: -78.305
tors. eta vs tors. theta energy: -147.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1705.405160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.405160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.405160 (E_RNA)
where:
Base-Base interactions energy: -1159.220
where: short stacking energy: -505.252
Base-Backbone interact. energy: -0.980
local terms energy: -545.205057
where:
bonds (distance) C4'-P energy: -108.756
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -114.555
flat angles P-C4'-P energy: -69.428
tors. eta vs tors. theta energy: -141.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1574.600288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.600288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.600288 (E_RNA)
where:
Base-Base interactions energy: -1097.065
where: short stacking energy: -458.463
Base-Backbone interact. energy: -1.198
local terms energy: -476.337025
where:
bonds (distance) C4'-P energy: -71.051
bonds (distance) P-C4' energy: -100.470
flat angles C4'-P-C4' energy: -111.811
flat angles P-C4'-P energy: -70.060
tors. eta vs tors. theta energy: -122.945
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: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1034.525070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.525070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.525070 (E_RNA)
where:
Base-Base interactions energy: -643.821
where: short stacking energy: -309.351
Base-Backbone interact. energy: -1.660
local terms energy: -389.044983
where:
bonds (distance) C4'-P energy: -100.319
bonds (distance) P-C4' energy: -105.764
flat angles C4'-P-C4' energy: -95.286
flat angles P-C4'-P energy: -42.795
tors. eta vs tors. theta energy: -44.880
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: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -987.017093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.017093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.017093 (E_RNA)
where:
Base-Base interactions energy: -591.327
where: short stacking energy: -288.452
Base-Backbone interact. energy: -4.305
local terms energy: -391.386002
where:
bonds (distance) C4'-P energy: -97.354
bonds (distance) P-C4' energy: -98.142
flat angles C4'-P-C4' energy: -98.292
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -60.487
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: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -921.038197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.038197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.038197 (E_RNA)
where:
Base-Base interactions energy: -521.488
where: short stacking energy: -242.564
Base-Backbone interact. energy: -2.391
local terms energy: -397.159676
where:
bonds (distance) C4'-P energy: -105.931
bonds (distance) P-C4' energy: -103.074
flat angles C4'-P-C4' energy: -76.154
flat angles P-C4'-P energy: -64.296
tors. eta vs tors. theta energy: -47.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -482.450472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.450472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.450472 (E_RNA)
where:
Base-Base interactions energy: -181.895
where: short stacking energy: -129.266
Base-Backbone interact. energy: 2.242
local terms energy: -302.797397
where:
bonds (distance) C4'-P energy: -101.534
bonds (distance) P-C4' energy: -105.877
flat angles C4'-P-C4' energy: -90.417
flat angles P-C4'-P energy: -41.331
tors. eta vs tors. theta energy: 36.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2050.146207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.146207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.146207 (E_RNA)
where:
Base-Base interactions energy: -1426.002
where: short stacking energy: -583.350
Base-Backbone interact. energy: -2.259
local terms energy: -621.884763
where:
bonds (distance) C4'-P energy: -98.400
bonds (distance) P-C4' energy: -123.643
flat angles C4'-P-C4' energy: -139.838
flat angles P-C4'-P energy: -84.251
tors. eta vs tors. theta energy: -175.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1939.657030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.657030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.657030 (E_RNA)
where:
Base-Base interactions energy: -1311.062
where: short stacking energy: -547.798
Base-Backbone interact. energy: -3.943
local terms energy: -624.651755
where:
bonds (distance) C4'-P energy: -113.485
bonds (distance) P-C4' energy: -121.253
flat angles C4'-P-C4' energy: -132.369
flat angles P-C4'-P energy: -86.764
tors. eta vs tors. theta energy: -170.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1890.489008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.489008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.489008 (E_RNA)
where:
Base-Base interactions energy: -1323.807
where: short stacking energy: -563.722
Base-Backbone interact. energy: 2.917
local terms energy: -569.598485
where:
bonds (distance) C4'-P energy: -105.015
bonds (distance) P-C4' energy: -111.261
flat angles C4'-P-C4' energy: -128.576
flat angles P-C4'-P energy: -69.674
tors. eta vs tors. theta energy: -155.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1701.097836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.097836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.097836 (E_RNA)
where:
Base-Base interactions energy: -1161.266
where: short stacking energy: -495.579
Base-Backbone interact. energy: -1.895
local terms energy: -537.936426
where:
bonds (distance) C4'-P energy: -102.523
bonds (distance) P-C4' energy: -105.589
flat angles C4'-P-C4' energy: -113.672
flat angles P-C4'-P energy: -71.885
tors. eta vs tors. theta energy: -144.267
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: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1666.393226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.393226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.393226 (E_RNA)
where:
Base-Base interactions energy: -1136.119
where: short stacking energy: -484.707
Base-Backbone interact. energy: -2.097
local terms energy: -528.176876
where:
bonds (distance) C4'-P energy: -101.197
bonds (distance) P-C4' energy: -108.680
flat angles C4'-P-C4' energy: -120.604
flat angles P-C4'-P energy: -66.283
tors. eta vs tors. theta energy: -131.412
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: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1547.018600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.018600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.018600 (E_RNA)
where:
Base-Base interactions energy: -982.621
where: short stacking energy: -434.919
Base-Backbone interact. energy: -2.534
local terms energy: -561.863178
where:
bonds (distance) C4'-P energy: -109.843
bonds (distance) P-C4' energy: -119.888
flat angles C4'-P-C4' energy: -122.044
flat angles P-C4'-P energy: -83.639
tors. eta vs tors. theta energy: -126.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1040.485139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.485139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.485139 (E_RNA)
where:
Base-Base interactions energy: -629.834
where: short stacking energy: -313.707
Base-Backbone interact. energy: -0.997
local terms energy: -409.653728
where:
bonds (distance) C4'-P energy: -96.723
bonds (distance) P-C4' energy: -106.197
flat angles C4'-P-C4' energy: -83.116
flat angles P-C4'-P energy: -62.768
tors. eta vs tors. theta energy: -60.850
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: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -956.811571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.811571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.811571 (E_RNA)
where:
Base-Base interactions energy: -566.032
where: short stacking energy: -283.490
Base-Backbone interact. energy: 3.797
local terms energy: -394.577028
where:
bonds (distance) C4'-P energy: -93.866
bonds (distance) P-C4' energy: -105.820
flat angles C4'-P-C4' energy: -84.706
flat angles P-C4'-P energy: -56.158
tors. eta vs tors. theta energy: -54.027
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: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -894.314294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.314294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.314294 (E_RNA)
where:
Base-Base interactions energy: -524.016
where: short stacking energy: -257.142
Base-Backbone interact. energy: -0.786
local terms energy: -369.512085
where:
bonds (distance) C4'-P energy: -90.578
bonds (distance) P-C4' energy: -111.882
flat angles C4'-P-C4' energy: -82.909
flat angles P-C4'-P energy: -50.781
tors. eta vs tors. theta energy: -33.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -506.866838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.866838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.866838 (E_RNA)
where:
Base-Base interactions energy: -204.568
where: short stacking energy: -125.819
Base-Backbone interact. energy: -1.393
local terms energy: -300.905615
where:
bonds (distance) C4'-P energy: -88.435
bonds (distance) P-C4' energy: -112.059
flat angles C4'-P-C4' energy: -84.282
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: 34.550
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: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2068.519485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.519485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.519485 (E_RNA)
where:
Base-Base interactions energy: -1442.889
where: short stacking energy: -586.458
Base-Backbone interact. energy: -0.679
local terms energy: -624.951719
where:
bonds (distance) C4'-P energy: -107.078
bonds (distance) P-C4' energy: -125.175
flat angles C4'-P-C4' energy: -130.135
flat angles P-C4'-P energy: -84.453
tors. eta vs tors. theta energy: -178.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1966.943336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.943336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.943336 (E_RNA)
where:
Base-Base interactions energy: -1360.221
where: short stacking energy: -556.516
Base-Backbone interact. energy: -4.036
local terms energy: -602.686037
where:
bonds (distance) C4'-P energy: -110.723
bonds (distance) P-C4' energy: -119.334
flat angles C4'-P-C4' energy: -123.927
flat angles P-C4'-P energy: -85.850
tors. eta vs tors. theta energy: -162.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1910.566320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.566320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.566320 (E_RNA)
where:
Base-Base interactions energy: -1306.426
where: short stacking energy: -532.522
Base-Backbone interact. energy: -1.484
local terms energy: -602.656244
where:
bonds (distance) C4'-P energy: -114.164
bonds (distance) P-C4' energy: -117.317
flat angles C4'-P-C4' energy: -127.940
flat angles P-C4'-P energy: -86.027
tors. eta vs tors. theta energy: -157.208
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: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1684.742487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.742487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.742487 (E_RNA)
where:
Base-Base interactions energy: -1137.476
where: short stacking energy: -499.381
Base-Backbone interact. energy: -0.614
local terms energy: -546.652514
where:
bonds (distance) C4'-P energy: -94.245
bonds (distance) P-C4' energy: -109.173
flat angles C4'-P-C4' energy: -120.018
flat angles P-C4'-P energy: -74.141
tors. eta vs tors. theta energy: -149.076
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: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1708.608645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.608645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.608645 (E_RNA)
where:
Base-Base interactions energy: -1158.772
where: short stacking energy: -487.817
Base-Backbone interact. energy: 0.080
local terms energy: -549.917332
where:
bonds (distance) C4'-P energy: -108.047
bonds (distance) P-C4' energy: -108.237
flat angles C4'-P-C4' energy: -116.790
flat angles P-C4'-P energy: -74.256
tors. eta vs tors. theta energy: -142.588
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: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1587.020218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.020218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.020218 (E_RNA)
where:
Base-Base interactions energy: -1024.852
where: short stacking energy: -456.042
Base-Backbone interact. energy: 1.063
local terms energy: -563.230850
where:
bonds (distance) C4'-P energy: -106.485
bonds (distance) P-C4' energy: -116.176
flat angles C4'-P-C4' energy: -124.509
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -136.722
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: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1077.938962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.938962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.938962 (E_RNA)
where:
Base-Base interactions energy: -650.911
where: short stacking energy: -316.341
Base-Backbone interact. energy: -1.861
local terms energy: -425.166790
where:
bonds (distance) C4'-P energy: -97.576
bonds (distance) P-C4' energy: -117.886
flat angles C4'-P-C4' energy: -92.840
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: -57.911
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: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -997.432576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.432576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.432576 (E_RNA)
where:
Base-Base interactions energy: -560.478
where: short stacking energy: -277.160
Base-Backbone interact. energy: 1.926
local terms energy: -438.880432
where:
bonds (distance) C4'-P energy: -109.560
bonds (distance) P-C4' energy: -106.816
flat angles C4'-P-C4' energy: -103.071
flat angles P-C4'-P energy: -61.296
tors. eta vs tors. theta energy: -58.137
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: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -929.403405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.403405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.403405 (E_RNA)
where:
Base-Base interactions energy: -548.231
where: short stacking energy: -243.512
Base-Backbone interact. energy: 8.075
local terms energy: -389.247735
where:
bonds (distance) C4'-P energy: -80.933
bonds (distance) P-C4' energy: -99.048
flat angles C4'-P-C4' energy: -102.857
flat angles P-C4'-P energy: -68.939
tors. eta vs tors. theta energy: -37.471
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: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -510.237639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.237639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.237639 (E_RNA)
where:
Base-Base interactions energy: -204.619
where: short stacking energy: -157.422
Base-Backbone interact. energy: 4.658
local terms energy: -310.276064
where:
bonds (distance) C4'-P energy: -88.267
bonds (distance) P-C4' energy: -97.685
flat angles C4'-P-C4' energy: -65.279
flat angles P-C4'-P energy: -60.067
tors. eta vs tors. theta energy: 1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2059.541705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.541705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.541705 (E_RNA)
where:
Base-Base interactions energy: -1405.589
where: short stacking energy: -572.984
Base-Backbone interact. energy: -5.863
local terms energy: -648.089729
where:
bonds (distance) C4'-P energy: -110.759
bonds (distance) P-C4' energy: -129.530
flat angles C4'-P-C4' energy: -132.392
flat angles P-C4'-P energy: -97.577
tors. eta vs tors. theta energy: -177.833
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: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1963.615666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.615666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.615666 (E_RNA)
where:
Base-Base interactions energy: -1333.915
where: short stacking energy: -563.376
Base-Backbone interact. energy: -5.820
local terms energy: -623.880286
where:
bonds (distance) C4'-P energy: -110.316
bonds (distance) P-C4' energy: -116.846
flat angles C4'-P-C4' energy: -136.715
flat angles P-C4'-P energy: -82.077
tors. eta vs tors. theta energy: -177.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1883.227029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.227029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.227029 (E_RNA)
where:
Base-Base interactions energy: -1330.832
where: short stacking energy: -531.181
Base-Backbone interact. energy: -2.219
local terms energy: -550.175287
where:
bonds (distance) C4'-P energy: -107.772
bonds (distance) P-C4' energy: -90.990
flat angles C4'-P-C4' energy: -138.911
flat angles P-C4'-P energy: -67.370
tors. eta vs tors. theta energy: -145.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1777.485555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.485555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.485555 (E_RNA)
where:
Base-Base interactions energy: -1190.776
where: short stacking energy: -498.339
Base-Backbone interact. energy: -1.743
local terms energy: -584.965945
where:
bonds (distance) C4'-P energy: -113.872
bonds (distance) P-C4' energy: -110.238
flat angles C4'-P-C4' energy: -128.213
flat angles P-C4'-P energy: -76.123
tors. eta vs tors. theta energy: -156.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1648.798942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.798942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.798942 (E_RNA)
where:
Base-Base interactions energy: -1140.650
where: short stacking energy: -484.293
Base-Backbone interact. energy: -2.042
local terms energy: -506.107201
where:
bonds (distance) C4'-P energy: -87.056
bonds (distance) P-C4' energy: -105.935
flat angles C4'-P-C4' energy: -104.307
flat angles P-C4'-P energy: -71.695
tors. eta vs tors. theta energy: -137.115
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: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1556.008064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.008064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.008064 (E_RNA)
where:
Base-Base interactions energy: -1031.055
where: short stacking energy: -435.017
Base-Backbone interact. energy: -2.767
local terms energy: -522.185792
where:
bonds (distance) C4'-P energy: -102.038
bonds (distance) P-C4' energy: -105.049
flat angles C4'-P-C4' energy: -119.714
flat angles P-C4'-P energy: -65.432
tors. eta vs tors. theta energy: -129.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1025.633628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.633628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.633628 (E_RNA)
where:
Base-Base interactions energy: -621.342
where: short stacking energy: -297.323
Base-Backbone interact. energy: -0.926
local terms energy: -403.365447
where:
bonds (distance) C4'-P energy: -83.001
bonds (distance) P-C4' energy: -109.663
flat angles C4'-P-C4' energy: -100.606
flat angles P-C4'-P energy: -52.859
tors. eta vs tors. theta energy: -57.236
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: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -944.059451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.059451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.059451 (E_RNA)
where:
Base-Base interactions energy: -589.603
where: short stacking energy: -291.059
Base-Backbone interact. energy: 0.387
local terms energy: -354.844346
where:
bonds (distance) C4'-P energy: -79.281
bonds (distance) P-C4' energy: -88.261
flat angles C4'-P-C4' energy: -89.820
flat angles P-C4'-P energy: -70.131
tors. eta vs tors. theta energy: -27.350
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: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -930.711441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.711441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.711441 (E_RNA)
where:
Base-Base interactions energy: -536.577
where: short stacking energy: -254.849
Base-Backbone interact. energy: 3.169
local terms energy: -397.303928
where:
bonds (distance) C4'-P energy: -102.151
bonds (distance) P-C4' energy: -106.492
flat angles C4'-P-C4' energy: -98.136
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -48.470
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: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -538.807528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.807528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.807528 (E_RNA)
where:
Base-Base interactions energy: -212.994
where: short stacking energy: -141.172
Base-Backbone interact. energy: -0.631
local terms energy: -325.181878
where:
bonds (distance) C4'-P energy: -91.752
bonds (distance) P-C4' energy: -103.798
flat angles C4'-P-C4' energy: -81.829
flat angles P-C4'-P energy: -50.685
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2042.822467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.822467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.822467 (E_RNA)
where:
Base-Base interactions energy: -1431.009
where: short stacking energy: -574.224
Base-Backbone interact. energy: -4.818
local terms energy: -606.995205
where:
bonds (distance) C4'-P energy: -105.016
bonds (distance) P-C4' energy: -112.087
flat angles C4'-P-C4' energy: -129.991
flat angles P-C4'-P energy: -84.574
tors. eta vs tors. theta energy: -175.327
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: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1962.719486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.719486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.719486 (E_RNA)
where:
Base-Base interactions energy: -1342.104
where: short stacking energy: -555.247
Base-Backbone interact. energy: -2.504
local terms energy: -618.111532
where:
bonds (distance) C4'-P energy: -121.300
bonds (distance) P-C4' energy: -117.073
flat angles C4'-P-C4' energy: -127.496
flat angles P-C4'-P energy: -79.528
tors. eta vs tors. theta energy: -172.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1855.206492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.206492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.206492 (E_RNA)
where:
Base-Base interactions energy: -1298.315
where: short stacking energy: -521.231
Base-Backbone interact. energy: 0.181
local terms energy: -557.072016
where:
bonds (distance) C4'-P energy: -101.708
bonds (distance) P-C4' energy: -116.785
flat angles C4'-P-C4' energy: -119.779
flat angles P-C4'-P energy: -70.773
tors. eta vs tors. theta energy: -148.027
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1784.179602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.179602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.179602 (E_RNA)
where:
Base-Base interactions energy: -1197.289
where: short stacking energy: -519.395
Base-Backbone interact. energy: -1.653
local terms energy: -585.238211
where:
bonds (distance) C4'-P energy: -114.391
bonds (distance) P-C4' energy: -106.699
flat angles C4'-P-C4' energy: -127.311
flat angles P-C4'-P energy: -86.966
tors. eta vs tors. theta energy: -149.872
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: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1681.410145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.410145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.410145 (E_RNA)
where:
Base-Base interactions energy: -1144.905
where: short stacking energy: -463.539
Base-Backbone interact. energy: 0.559
local terms energy: -537.064502
where:
bonds (distance) C4'-P energy: -106.468
bonds (distance) P-C4' energy: -99.052
flat angles C4'-P-C4' energy: -121.357
flat angles P-C4'-P energy: -73.521
tors. eta vs tors. theta energy: -136.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1499.495384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.495384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.495384 (E_RNA)
where:
Base-Base interactions energy: -1003.628
where: short stacking energy: -444.219
Base-Backbone interact. energy: -1.955
local terms energy: -493.912995
where:
bonds (distance) C4'-P energy: -100.600
bonds (distance) P-C4' energy: -93.812
flat angles C4'-P-C4' energy: -114.214
flat angles P-C4'-P energy: -76.810
tors. eta vs tors. theta energy: -108.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1077.458044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.458044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.458044 (E_RNA)
where:
Base-Base interactions energy: -621.701
where: short stacking energy: -306.140
Base-Backbone interact. energy: 1.400
local terms energy: -457.157177
where:
bonds (distance) C4'-P energy: -113.784
bonds (distance) P-C4' energy: -101.286
flat angles C4'-P-C4' energy: -99.029
flat angles P-C4'-P energy: -67.812
tors. eta vs tors. theta energy: -75.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -966.233081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.233081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.233081 (E_RNA)
where:
Base-Base interactions energy: -582.553
where: short stacking energy: -274.321
Base-Backbone interact. energy: -3.024
local terms energy: -380.656197
where:
bonds (distance) C4'-P energy: -95.008
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -81.797
flat angles P-C4'-P energy: -56.544
tors. eta vs tors. theta energy: -43.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -922.582836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.582836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.582836 (E_RNA)
where:
Base-Base interactions energy: -521.683
where: short stacking energy: -257.057
Base-Backbone interact. energy: 1.816
local terms energy: -402.715341
where:
bonds (distance) C4'-P energy: -122.120
bonds (distance) P-C4' energy: -103.303
flat angles C4'-P-C4' energy: -94.629
flat angles P-C4'-P energy: -45.618
tors. eta vs tors. theta energy: -37.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -488.844707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.844707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.844707 (E_RNA)
where:
Base-Base interactions energy: -186.051
where: short stacking energy: -131.651
Base-Backbone interact. energy: 1.784
local terms energy: -304.578217
where:
bonds (distance) C4'-P energy: -83.025
bonds (distance) P-C4' energy: -97.287
flat angles C4'-P-C4' energy: -83.671
flat angles P-C4'-P energy: -52.526
tors. eta vs tors. theta energy: 11.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2054.318524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.318524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.318524 (E_RNA)
where:
Base-Base interactions energy: -1414.121
where: short stacking energy: -562.585
Base-Backbone interact. energy: -6.749
local terms energy: -633.448970
where:
bonds (distance) C4'-P energy: -117.795
bonds (distance) P-C4' energy: -124.440
flat angles C4'-P-C4' energy: -126.025
flat angles P-C4'-P energy: -93.177
tors. eta vs tors. theta energy: -172.013
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: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1952.459805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.459805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.459805 (E_RNA)
where:
Base-Base interactions energy: -1353.345
where: short stacking energy: -558.777
Base-Backbone interact. energy: -4.506
local terms energy: -594.608987
where:
bonds (distance) C4'-P energy: -110.241
bonds (distance) P-C4' energy: -108.003
flat angles C4'-P-C4' energy: -130.447
flat angles P-C4'-P energy: -87.095
tors. eta vs tors. theta energy: -158.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1937.230190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.230190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.230190 (E_RNA)
where:
Base-Base interactions energy: -1356.973
where: short stacking energy: -558.686
Base-Backbone interact. energy: -2.830
local terms energy: -577.427495
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -109.636
flat angles C4'-P-C4' energy: -119.622
flat angles P-C4'-P energy: -75.790
tors. eta vs tors. theta energy: -164.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1780.449719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.449719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.449719 (E_RNA)
where:
Base-Base interactions energy: -1207.348
where: short stacking energy: -523.340
Base-Backbone interact. energy: -1.484
local terms energy: -571.617675
where:
bonds (distance) C4'-P energy: -107.638
bonds (distance) P-C4' energy: -115.303
flat angles C4'-P-C4' energy: -126.124
flat angles P-C4'-P energy: -68.696
tors. eta vs tors. theta energy: -153.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1691.917012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.917012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.917012 (E_RNA)
where:
Base-Base interactions energy: -1149.168
where: short stacking energy: -503.478
Base-Backbone interact. energy: 0.611
local terms energy: -543.360639
where:
bonds (distance) C4'-P energy: -88.048
bonds (distance) P-C4' energy: -111.084
flat angles C4'-P-C4' energy: -113.656
flat angles P-C4'-P energy: -85.873
tors. eta vs tors. theta energy: -144.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1538.307161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.307161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.307161 (E_RNA)
where:
Base-Base interactions energy: -1057.306
where: short stacking energy: -468.005
Base-Backbone interact. energy: 6.775
local terms energy: -487.775518
where:
bonds (distance) C4'-P energy: -99.846
bonds (distance) P-C4' energy: -94.754
flat angles C4'-P-C4' energy: -114.631
flat angles P-C4'-P energy: -64.905
tors. eta vs tors. theta energy: -113.640
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: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1048.821407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.821407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.821407 (E_RNA)
where:
Base-Base interactions energy: -611.985
where: short stacking energy: -311.301
Base-Backbone interact. energy: -0.378
local terms energy: -436.457732
where:
bonds (distance) C4'-P energy: -91.579
bonds (distance) P-C4' energy: -118.805
flat angles C4'-P-C4' energy: -105.652
flat angles P-C4'-P energy: -59.983
tors. eta vs tors. theta energy: -60.438
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: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1041.587639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.587639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.587639 (E_RNA)
where:
Base-Base interactions energy: -626.339
where: short stacking energy: -298.259
Base-Backbone interact. energy: 0.044
local terms energy: -415.292340
where:
bonds (distance) C4'-P energy: -100.280
bonds (distance) P-C4' energy: -103.946
flat angles C4'-P-C4' energy: -108.111
flat angles P-C4'-P energy: -49.389
tors. eta vs tors. theta energy: -53.566
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: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -964.912789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.912789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.912789 (E_RNA)
where:
Base-Base interactions energy: -581.495
where: short stacking energy: -277.855
Base-Backbone interact. energy: 0.900
local terms energy: -384.317491
where:
bonds (distance) C4'-P energy: -80.336
bonds (distance) P-C4' energy: -95.605
flat angles C4'-P-C4' energy: -96.402
flat angles P-C4'-P energy: -61.888
tors. eta vs tors. theta energy: -50.087
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: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -460.178564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.178564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.178564 (E_RNA)
where:
Base-Base interactions energy: -167.834
where: short stacking energy: -126.264
Base-Backbone interact. energy: 3.268
local terms energy: -295.611686
where:
bonds (distance) C4'-P energy: -87.117
bonds (distance) P-C4' energy: -77.410
flat angles C4'-P-C4' energy: -88.166
flat angles P-C4'-P energy: -60.259
tors. eta vs tors. theta energy: 17.341
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: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2064.938609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.938609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.938609 (E_RNA)
where:
Base-Base interactions energy: -1462.365
where: short stacking energy: -576.442
Base-Backbone interact. energy: -4.165
local terms energy: -598.408431
where:
bonds (distance) C4'-P energy: -100.193
bonds (distance) P-C4' energy: -125.076
flat angles C4'-P-C4' energy: -124.415
flat angles P-C4'-P energy: -79.906
tors. eta vs tors. theta energy: -168.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1961.745920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.745920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.745920 (E_RNA)
where:
Base-Base interactions energy: -1389.658
where: short stacking energy: -578.970
Base-Backbone interact. energy: 0.242
local terms energy: -572.329984
where:
bonds (distance) C4'-P energy: -109.652
bonds (distance) P-C4' energy: -105.580
flat angles C4'-P-C4' energy: -128.459
flat angles P-C4'-P energy: -70.439
tors. eta vs tors. theta energy: -158.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1917.837301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.837301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.837301 (E_RNA)
where:
Base-Base interactions energy: -1327.517
where: short stacking energy: -558.840
Base-Backbone interact. energy: -3.213
local terms energy: -587.106818
where:
bonds (distance) C4'-P energy: -120.560
bonds (distance) P-C4' energy: -103.562
flat angles C4'-P-C4' energy: -122.187
flat angles P-C4'-P energy: -78.266
tors. eta vs tors. theta energy: -162.532
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: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1766.554977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.554977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.554977 (E_RNA)
where:
Base-Base interactions energy: -1212.205
where: short stacking energy: -523.762
Base-Backbone interact. energy: 2.896
local terms energy: -557.246679
where:
bonds (distance) C4'-P energy: -96.097
bonds (distance) P-C4' energy: -119.433
flat angles C4'-P-C4' energy: -119.584
flat angles P-C4'-P energy: -76.944
tors. eta vs tors. theta energy: -145.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1713.907690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.907690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.907690 (E_RNA)
where:
Base-Base interactions energy: -1191.194
where: short stacking energy: -506.589
Base-Backbone interact. energy: 0.365
local terms energy: -523.078894
where:
bonds (distance) C4'-P energy: -93.847
bonds (distance) P-C4' energy: -108.820
flat angles C4'-P-C4' energy: -114.060
flat angles P-C4'-P energy: -78.226
tors. eta vs tors. theta energy: -128.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1534.385470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.385470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.385470 (E_RNA)
where:
Base-Base interactions energy: -1029.504
where: short stacking energy: -452.125
Base-Backbone interact. energy: -1.174
local terms energy: -503.707483
where:
bonds (distance) C4'-P energy: -96.405
bonds (distance) P-C4' energy: -98.346
flat angles C4'-P-C4' energy: -114.966
flat angles P-C4'-P energy: -72.870
tors. eta vs tors. theta energy: -121.120
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: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1100.545833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.545833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.545833 (E_RNA)
where:
Base-Base interactions energy: -691.614
where: short stacking energy: -324.060
Base-Backbone interact. energy: -3.069
local terms energy: -405.862305
where:
bonds (distance) C4'-P energy: -90.203
bonds (distance) P-C4' energy: -96.650
flat angles C4'-P-C4' energy: -87.885
flat angles P-C4'-P energy: -66.408
tors. eta vs tors. theta energy: -64.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1049.494971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.494971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.494971 (E_RNA)
where:
Base-Base interactions energy: -662.193
where: short stacking energy: -323.308
Base-Backbone interact. energy: 4.270
local terms energy: -391.571399
where:
bonds (distance) C4'-P energy: -85.035
bonds (distance) P-C4' energy: -94.454
flat angles C4'-P-C4' energy: -87.169
flat angles P-C4'-P energy: -58.101
tors. eta vs tors. theta energy: -66.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -911.498367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.498367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.498367 (E_RNA)
where:
Base-Base interactions energy: -533.006
where: short stacking energy: -254.493
Base-Backbone interact. energy: -3.107
local terms energy: -375.385322
where:
bonds (distance) C4'-P energy: -104.061
bonds (distance) P-C4' energy: -99.653
flat angles C4'-P-C4' energy: -93.933
flat angles P-C4'-P energy: -54.033
tors. eta vs tors. theta energy: -23.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -451.644200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.644200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.644200 (E_RNA)
where:
Base-Base interactions energy: -163.734
where: short stacking energy: -131.552
Base-Backbone interact. energy: -0.713
local terms energy: -287.196306
where:
bonds (distance) C4'-P energy: -97.303
bonds (distance) P-C4' energy: -110.567
flat angles C4'-P-C4' energy: -74.100
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: 27.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2071.325385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.325385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.325385 (E_RNA)
where:
Base-Base interactions energy: -1437.580
where: short stacking energy: -590.565
Base-Backbone interact. energy: -3.696
local terms energy: -630.049331
where:
bonds (distance) C4'-P energy: -121.239
bonds (distance) P-C4' energy: -114.636
flat angles C4'-P-C4' energy: -130.443
flat angles P-C4'-P energy: -81.085
tors. eta vs tors. theta energy: -182.646
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1955.548365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.548365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.548365 (E_RNA)
where:
Base-Base interactions energy: -1358.757
where: short stacking energy: -557.513
Base-Backbone interact. energy: -1.507
local terms energy: -595.284277
where:
bonds (distance) C4'-P energy: -113.644
bonds (distance) P-C4' energy: -101.510
flat angles C4'-P-C4' energy: -131.500
flat angles P-C4'-P energy: -81.579
tors. eta vs tors. theta energy: -167.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1871.806505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.806505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.806505 (E_RNA)
where:
Base-Base interactions energy: -1270.449
where: short stacking energy: -538.846
Base-Backbone interact. energy: -1.969
local terms energy: -599.388672
where:
bonds (distance) C4'-P energy: -121.300
bonds (distance) P-C4' energy: -112.807
flat angles C4'-P-C4' energy: -126.860
flat angles P-C4'-P energy: -79.247
tors. eta vs tors. theta energy: -159.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1757.825463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.825463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.825463 (E_RNA)
where:
Base-Base interactions energy: -1210.168
where: short stacking energy: -524.831
Base-Backbone interact. energy: -2.073
local terms energy: -545.584648
where:
bonds (distance) C4'-P energy: -96.455
bonds (distance) P-C4' energy: -96.020
flat angles C4'-P-C4' energy: -114.808
flat angles P-C4'-P energy: -78.622
tors. eta vs tors. theta energy: -159.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1712.822556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.822556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.822556 (E_RNA)
where:
Base-Base interactions energy: -1177.880
where: short stacking energy: -479.533
Base-Backbone interact. energy: -2.589
local terms energy: -532.353304
where:
bonds (distance) C4'-P energy: -104.415
bonds (distance) P-C4' energy: -108.754
flat angles C4'-P-C4' energy: -107.626
flat angles P-C4'-P energy: -79.350
tors. eta vs tors. theta energy: -132.208
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: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1478.819962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.819962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.819962 (E_RNA)
where:
Base-Base interactions energy: -970.777
where: short stacking energy: -408.391
Base-Backbone interact. energy: 0.549
local terms energy: -508.591827
where:
bonds (distance) C4'-P energy: -100.887
bonds (distance) P-C4' energy: -115.282
flat angles C4'-P-C4' energy: -119.958
flat angles P-C4'-P energy: -71.389
tors. eta vs tors. theta energy: -101.076
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: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1170.538349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.538349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.538349 (E_RNA)
where:
Base-Base interactions energy: -727.369
where: short stacking energy: -323.698
Base-Backbone interact. energy: -2.834
local terms energy: -440.335932
where:
bonds (distance) C4'-P energy: -108.388
bonds (distance) P-C4' energy: -99.918
flat angles C4'-P-C4' energy: -106.316
flat angles P-C4'-P energy: -63.640
tors. eta vs tors. theta energy: -62.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1041.032413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.032413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.032413 (E_RNA)
where:
Base-Base interactions energy: -616.062
where: short stacking energy: -302.844
Base-Backbone interact. energy: 3.760
local terms energy: -428.730518
where:
bonds (distance) C4'-P energy: -101.301
bonds (distance) P-C4' energy: -96.906
flat angles C4'-P-C4' energy: -100.646
flat angles P-C4'-P energy: -61.532
tors. eta vs tors. theta energy: -68.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -960.285436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.285436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.285436 (E_RNA)
where:
Base-Base interactions energy: -603.489
where: short stacking energy: -282.070
Base-Backbone interact. energy: 5.040
local terms energy: -361.836555
where:
bonds (distance) C4'-P energy: -80.383
bonds (distance) P-C4' energy: -97.224
flat angles C4'-P-C4' energy: -81.496
flat angles P-C4'-P energy: -56.658
tors. eta vs tors. theta energy: -46.075
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: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -446.654488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.654488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.654488 (E_RNA)
where:
Base-Base interactions energy: -150.730
where: short stacking energy: -134.219
Base-Backbone interact. energy: 4.642
local terms energy: -300.566125
where:
bonds (distance) C4'-P energy: -78.470
bonds (distance) P-C4' energy: -110.893
flat angles C4'-P-C4' energy: -73.027
flat angles P-C4'-P energy: -59.527
tors. eta vs tors. theta energy: 21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2064.314089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.314089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.314089 (E_RNA)
where:
Base-Base interactions energy: -1414.673
where: short stacking energy: -577.509
Base-Backbone interact. energy: -5.672
local terms energy: -643.968902
where:
bonds (distance) C4'-P energy: -122.558
bonds (distance) P-C4' energy: -128.690
flat angles C4'-P-C4' energy: -134.887
flat angles P-C4'-P energy: -84.581
tors. eta vs tors. theta energy: -173.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1968.655302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.655302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.655302 (E_RNA)
where:
Base-Base interactions energy: -1367.711
where: short stacking energy: -578.284
Base-Backbone interact. energy: -1.940
local terms energy: -599.004438
where:
bonds (distance) C4'-P energy: -98.980
bonds (distance) P-C4' energy: -121.840
flat angles C4'-P-C4' energy: -130.411
flat angles P-C4'-P energy: -81.523
tors. eta vs tors. theta energy: -166.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1860.946289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.946289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.946289 (E_RNA)
where:
Base-Base interactions energy: -1258.103
where: short stacking energy: -527.989
Base-Backbone interact. energy: 2.198
local terms energy: -605.041396
where:
bonds (distance) C4'-P energy: -111.868
bonds (distance) P-C4' energy: -114.749
flat angles C4'-P-C4' energy: -134.174
flat angles P-C4'-P energy: -90.684
tors. eta vs tors. theta energy: -153.566
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: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1770.937159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.937159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.937159 (E_RNA)
where:
Base-Base interactions energy: -1183.507
where: short stacking energy: -513.668
Base-Backbone interact. energy: -1.503
local terms energy: -585.926821
where:
bonds (distance) C4'-P energy: -113.110
bonds (distance) P-C4' energy: -125.180
flat angles C4'-P-C4' energy: -126.601
flat angles P-C4'-P energy: -79.467
tors. eta vs tors. theta energy: -141.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1709.765790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.765790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.765790 (E_RNA)
where:
Base-Base interactions energy: -1154.450
where: short stacking energy: -507.774
Base-Backbone interact. energy: 0.029
local terms energy: -555.344528
where:
bonds (distance) C4'-P energy: -103.945
bonds (distance) P-C4' energy: -109.057
flat angles C4'-P-C4' energy: -112.870
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -149.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1498.400947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.400947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.400947 (E_RNA)
where:
Base-Base interactions energy: -1009.474
where: short stacking energy: -438.886
Base-Backbone interact. energy: -1.671
local terms energy: -487.255898
where:
bonds (distance) C4'-P energy: -95.566
bonds (distance) P-C4' energy: -100.116
flat angles C4'-P-C4' energy: -117.604
flat angles P-C4'-P energy: -49.830
tors. eta vs tors. theta energy: -124.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1205.118037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.118037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.118037 (E_RNA)
where:
Base-Base interactions energy: -769.954
where: short stacking energy: -351.700
Base-Backbone interact. energy: -1.435
local terms energy: -433.729053
where:
bonds (distance) C4'-P energy: -97.588
bonds (distance) P-C4' energy: -106.628
flat angles C4'-P-C4' energy: -90.812
flat angles P-C4'-P energy: -61.064
tors. eta vs tors. theta energy: -77.638
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: 260
Temperature: 1.250000
Total energy: -1025.559957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.559957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.559957 (E_RNA)
where:
Base-Base interactions energy: -592.363
where: short stacking energy: -288.348
Base-Backbone interact. energy: -1.137
local terms energy: -432.059768
where:
bonds (distance) C4'-P energy: -98.807
bonds (distance) P-C4' energy: -119.520
flat angles C4'-P-C4' energy: -101.032
flat angles P-C4'-P energy: -58.645
tors. eta vs tors. theta energy: -54.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -892.868489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.868489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.868489 (E_RNA)
where:
Base-Base interactions energy: -500.881
where: short stacking energy: -237.302
Base-Backbone interact. energy: -0.234
local terms energy: -391.753584
where:
bonds (distance) C4'-P energy: -103.902
bonds (distance) P-C4' energy: -100.507
flat angles C4'-P-C4' energy: -83.710
flat angles P-C4'-P energy: -62.143
tors. eta vs tors. theta energy: -41.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -468.627052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.627052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.627052 (E_RNA)
where:
Base-Base interactions energy: -161.750
where: short stacking energy: -130.491
Base-Backbone interact. energy: -0.629
local terms energy: -306.247203
where:
bonds (distance) C4'-P energy: -89.685
bonds (distance) P-C4' energy: -110.931
flat angles C4'-P-C4' energy: -64.722
flat angles P-C4'-P energy: -47.260
tors. eta vs tors. theta energy: 6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2037.731146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.731146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.731146 (E_RNA)
where:
Base-Base interactions energy: -1400.815
where: short stacking energy: -566.420
Base-Backbone interact. energy: -0.933
local terms energy: -635.983382
where:
bonds (distance) C4'-P energy: -129.334
bonds (distance) P-C4' energy: -116.146
flat angles C4'-P-C4' energy: -132.951
flat angles P-C4'-P energy: -86.113
tors. eta vs tors. theta energy: -171.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1982.537686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.537686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.537686 (E_RNA)
where:
Base-Base interactions energy: -1390.657
where: short stacking energy: -582.645
Base-Backbone interact. energy: -0.824
local terms energy: -591.056268
where:
bonds (distance) C4'-P energy: -107.115
bonds (distance) P-C4' energy: -118.266
flat angles C4'-P-C4' energy: -124.184
flat angles P-C4'-P energy: -80.242
tors. eta vs tors. theta energy: -161.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1887.594599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.594599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.594599 (E_RNA)
where:
Base-Base interactions energy: -1294.066
where: short stacking energy: -565.334
Base-Backbone interact. energy: 1.293
local terms energy: -594.822031
where:
bonds (distance) C4'-P energy: -103.858
bonds (distance) P-C4' energy: -122.325
flat angles C4'-P-C4' energy: -113.129
flat angles P-C4'-P energy: -89.132
tors. eta vs tors. theta energy: -166.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1791.449088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.449088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.449088 (E_RNA)
where:
Base-Base interactions energy: -1229.124
where: short stacking energy: -527.161
Base-Backbone interact. energy: 0.177
local terms energy: -562.501342
where:
bonds (distance) C4'-P energy: -91.521
bonds (distance) P-C4' energy: -114.031
flat angles C4'-P-C4' energy: -140.743
flat angles P-C4'-P energy: -60.302
tors. eta vs tors. theta energy: -155.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1688.956150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.956150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.956150 (E_RNA)
where:
Base-Base interactions energy: -1134.548
where: short stacking energy: -473.538
Base-Backbone interact. energy: 0.213
local terms energy: -554.621199
where:
bonds (distance) C4'-P energy: -107.686
bonds (distance) P-C4' energy: -105.534
flat angles C4'-P-C4' energy: -121.705
flat angles P-C4'-P energy: -78.193
tors. eta vs tors. theta energy: -141.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1525.136110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.136110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.136110 (E_RNA)
where:
Base-Base interactions energy: -1021.106
where: short stacking energy: -428.748
Base-Backbone interact. energy: -2.273
local terms energy: -501.756985
where:
bonds (distance) C4'-P energy: -97.971
bonds (distance) P-C4' energy: -112.206
flat angles C4'-P-C4' energy: -112.344
flat angles P-C4'-P energy: -76.616
tors. eta vs tors. theta energy: -102.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1189.472331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.472331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.472331 (E_RNA)
where:
Base-Base interactions energy: -784.129
where: short stacking energy: -356.404
Base-Backbone interact. energy: 2.009
local terms energy: -407.351912
where:
bonds (distance) C4'-P energy: -93.624
bonds (distance) P-C4' energy: -99.726
flat angles C4'-P-C4' energy: -86.109
flat angles P-C4'-P energy: -47.859
tors. eta vs tors. theta energy: -80.034
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: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1004.486496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.486496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.486496 (E_RNA)
where:
Base-Base interactions energy: -605.653
where: short stacking energy: -295.061
Base-Backbone interact. energy: -2.330
local terms energy: -396.504208
where:
bonds (distance) C4'-P energy: -85.011
bonds (distance) P-C4' energy: -104.391
flat angles C4'-P-C4' energy: -94.677
flat angles P-C4'-P energy: -54.634
tors. eta vs tors. theta energy: -57.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -882.252516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.252516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.252516 (E_RNA)
where:
Base-Base interactions energy: -514.403
where: short stacking energy: -252.890
Base-Backbone interact. energy: -2.975
local terms energy: -364.875369
where:
bonds (distance) C4'-P energy: -83.721
bonds (distance) P-C4' energy: -102.805
flat angles C4'-P-C4' energy: -83.714
flat angles P-C4'-P energy: -52.346
tors. eta vs tors. theta energy: -42.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -528.600650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.600650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.600650 (E_RNA)
where:
Base-Base interactions energy: -215.023
where: short stacking energy: -169.712
Base-Backbone interact. energy: 2.238
local terms energy: -315.815512
where:
bonds (distance) C4'-P energy: -96.166
bonds (distance) P-C4' energy: -96.983
flat angles C4'-P-C4' energy: -81.584
flat angles P-C4'-P energy: -47.507
tors. eta vs tors. theta energy: 6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2044.619231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.619231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.619231 (E_RNA)
where:
Base-Base interactions energy: -1418.081
where: short stacking energy: -595.903
Base-Backbone interact. energy: -4.188
local terms energy: -622.350272
where:
bonds (distance) C4'-P energy: -108.072
bonds (distance) P-C4' energy: -114.992
flat angles C4'-P-C4' energy: -139.070
flat angles P-C4'-P energy: -99.281
tors. eta vs tors. theta energy: -160.935
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: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1950.788826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.788826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.788826 (E_RNA)
where:
Base-Base interactions energy: -1353.786
where: short stacking energy: -561.742
Base-Backbone interact. energy: 3.944
local terms energy: -600.946610
where:
bonds (distance) C4'-P energy: -109.900
bonds (distance) P-C4' energy: -111.378
flat angles C4'-P-C4' energy: -132.537
flat angles P-C4'-P energy: -83.491
tors. eta vs tors. theta energy: -163.640
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: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1868.511992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.511992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.511992 (E_RNA)
where:
Base-Base interactions energy: -1257.585
where: short stacking energy: -548.898
Base-Backbone interact. energy: 1.001
local terms energy: -611.927799
where:
bonds (distance) C4'-P energy: -111.790
bonds (distance) P-C4' energy: -122.918
flat angles C4'-P-C4' energy: -127.071
flat angles P-C4'-P energy: -91.412
tors. eta vs tors. theta energy: -158.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1800.377233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.377233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.377233 (E_RNA)
where:
Base-Base interactions energy: -1233.281
where: short stacking energy: -553.882
Base-Backbone interact. energy: -1.306
local terms energy: -565.791040
where:
bonds (distance) C4'-P energy: -109.659
bonds (distance) P-C4' energy: -97.324
flat angles C4'-P-C4' energy: -119.758
flat angles P-C4'-P energy: -80.145
tors. eta vs tors. theta energy: -158.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1680.695986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.695986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.695986 (E_RNA)
where:
Base-Base interactions energy: -1141.868
where: short stacking energy: -511.805
Base-Backbone interact. energy: 0.216
local terms energy: -539.044076
where:
bonds (distance) C4'-P energy: -99.470
bonds (distance) P-C4' energy: -104.535
flat angles C4'-P-C4' energy: -120.230
flat angles P-C4'-P energy: -76.865
tors. eta vs tors. theta energy: -137.944
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: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1488.212003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.212003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.212003 (E_RNA)
where:
Base-Base interactions energy: -991.708
where: short stacking energy: -442.382
Base-Backbone interact. energy: -2.690
local terms energy: -493.813271
where:
bonds (distance) C4'-P energy: -102.760
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -107.316
flat angles P-C4'-P energy: -63.254
tors. eta vs tors. theta energy: -116.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1242.371556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.371556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.371556 (E_RNA)
where:
Base-Base interactions energy: -802.108
where: short stacking energy: -355.727
Base-Backbone interact. energy: -2.092
local terms energy: -438.172419
where:
bonds (distance) C4'-P energy: -80.988
bonds (distance) P-C4' energy: -109.226
flat angles C4'-P-C4' energy: -83.878
flat angles P-C4'-P energy: -85.093
tors. eta vs tors. theta energy: -78.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1024.817719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.817719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.817719 (E_RNA)
where:
Base-Base interactions energy: -665.846
where: short stacking energy: -289.599
Base-Backbone interact. energy: -0.630
local terms energy: -358.342118
where:
bonds (distance) C4'-P energy: -92.727
bonds (distance) P-C4' energy: -97.674
flat angles C4'-P-C4' energy: -82.155
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -38.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -871.901776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.901776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.901776 (E_RNA)
where:
Base-Base interactions energy: -541.518
where: short stacking energy: -252.837
Base-Backbone interact. energy: -1.999
local terms energy: -328.385314
where:
bonds (distance) C4'-P energy: -77.267
bonds (distance) P-C4' energy: -90.950
flat angles C4'-P-C4' energy: -88.805
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -37.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -504.416294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.416294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.416294 (E_RNA)
where:
Base-Base interactions energy: -211.136
where: short stacking energy: -149.777
Base-Backbone interact. energy: -2.678
local terms energy: -290.602921
where:
bonds (distance) C4'-P energy: -81.220
bonds (distance) P-C4' energy: -81.308
flat angles C4'-P-C4' energy: -91.465
flat angles P-C4'-P energy: -41.640
tors. eta vs tors. theta energy: 5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2018.124658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.124658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.124658 (E_RNA)
where:
Base-Base interactions energy: -1419.686
where: short stacking energy: -581.873
Base-Backbone interact. energy: 1.332
local terms energy: -599.770628
where:
bonds (distance) C4'-P energy: -97.955
bonds (distance) P-C4' energy: -118.597
flat angles C4'-P-C4' energy: -131.758
flat angles P-C4'-P energy: -92.432
tors. eta vs tors. theta energy: -159.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1927.145349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.145349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.145349 (E_RNA)
where:
Base-Base interactions energy: -1333.361
where: short stacking energy: -565.881
Base-Backbone interact. energy: -4.097
local terms energy: -589.687141
where:
bonds (distance) C4'-P energy: -115.285
bonds (distance) P-C4' energy: -116.177
flat angles C4'-P-C4' energy: -134.409
flat angles P-C4'-P energy: -63.160
tors. eta vs tors. theta energy: -160.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1850.361897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.361897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.361897 (E_RNA)
where:
Base-Base interactions energy: -1262.562
where: short stacking energy: -528.379
Base-Backbone interact. energy: -1.606
local terms energy: -586.192997
where:
bonds (distance) C4'-P energy: -105.393
bonds (distance) P-C4' energy: -106.809
flat angles C4'-P-C4' energy: -136.743
flat angles P-C4'-P energy: -71.285
tors. eta vs tors. theta energy: -165.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1821.379734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.379734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.379734 (E_RNA)
where:
Base-Base interactions energy: -1215.849
where: short stacking energy: -517.382
Base-Backbone interact. energy: -2.893
local terms energy: -602.637205
where:
bonds (distance) C4'-P energy: -105.844
bonds (distance) P-C4' energy: -128.326
flat angles C4'-P-C4' energy: -128.969
flat angles P-C4'-P energy: -85.145
tors. eta vs tors. theta energy: -154.354
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: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1711.249056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.249056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.249056 (E_RNA)
where:
Base-Base interactions energy: -1162.206
where: short stacking energy: -465.530
Base-Backbone interact. energy: -2.373
local terms energy: -546.669582
where:
bonds (distance) C4'-P energy: -92.997
bonds (distance) P-C4' energy: -115.726
flat angles C4'-P-C4' energy: -115.989
flat angles P-C4'-P energy: -72.281
tors. eta vs tors. theta energy: -149.678
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: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1461.644558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.644558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.644558 (E_RNA)
where:
Base-Base interactions energy: -965.279
where: short stacking energy: -406.780
Base-Backbone interact. energy: -1.393
local terms energy: -494.972429
where:
bonds (distance) C4'-P energy: -111.838
bonds (distance) P-C4' energy: -116.522
flat angles C4'-P-C4' energy: -110.731
flat angles P-C4'-P energy: -54.819
tors. eta vs tors. theta energy: -101.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1308.680057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.680057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.680057 (E_RNA)
where:
Base-Base interactions energy: -865.251
where: short stacking energy: -399.715
Base-Backbone interact. energy: -2.122
local terms energy: -441.307554
where:
bonds (distance) C4'-P energy: -86.092
bonds (distance) P-C4' energy: -92.313
flat angles C4'-P-C4' energy: -92.802
flat angles P-C4'-P energy: -74.185
tors. eta vs tors. theta energy: -95.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1057.928107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.928107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.928107 (E_RNA)
where:
Base-Base interactions energy: -663.316
where: short stacking energy: -300.895
Base-Backbone interact. energy: -0.541
local terms energy: -394.071049
where:
bonds (distance) C4'-P energy: -112.563
bonds (distance) P-C4' energy: -77.209
flat angles C4'-P-C4' energy: -76.724
flat angles P-C4'-P energy: -70.873
tors. eta vs tors. theta energy: -56.702
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: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -865.197212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.197212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.197212 (E_RNA)
where:
Base-Base interactions energy: -492.492
where: short stacking energy: -235.003
Base-Backbone interact. energy: -1.654
local terms energy: -371.051738
where:
bonds (distance) C4'-P energy: -86.564
bonds (distance) P-C4' energy: -106.637
flat angles C4'-P-C4' energy: -88.302
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -36.699
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: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -476.520273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.520273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.520273 (E_RNA)
where:
Base-Base interactions energy: -173.877
where: short stacking energy: -123.322
Base-Backbone interact. energy: -0.964
local terms energy: -301.679503
where:
bonds (distance) C4'-P energy: -100.920
bonds (distance) P-C4' energy: -113.029
flat angles C4'-P-C4' energy: -83.643
flat angles P-C4'-P energy: -28.788
tors. eta vs tors. theta energy: 24.700
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: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2050.419122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.419122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.419122 (E_RNA)
where:
Base-Base interactions energy: -1433.657
where: short stacking energy: -594.970
Base-Backbone interact. energy: -4.560
local terms energy: -612.202170
where:
bonds (distance) C4'-P energy: -101.914
bonds (distance) P-C4' energy: -118.944
flat angles C4'-P-C4' energy: -133.556
flat angles P-C4'-P energy: -88.190
tors. eta vs tors. theta energy: -169.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2006.333784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.333784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.333784 (E_RNA)
where:
Base-Base interactions energy: -1387.359
where: short stacking energy: -557.871
Base-Backbone interact. energy: -3.094
local terms energy: -615.880817
where:
bonds (distance) C4'-P energy: -114.272
bonds (distance) P-C4' energy: -126.540
flat angles C4'-P-C4' energy: -134.610
flat angles P-C4'-P energy: -75.823
tors. eta vs tors. theta energy: -164.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1878.244739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.244739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.244739 (E_RNA)
where:
Base-Base interactions energy: -1253.373
where: short stacking energy: -546.436
Base-Backbone interact. energy: -2.053
local terms energy: -622.818202
where:
bonds (distance) C4'-P energy: -121.289
bonds (distance) P-C4' energy: -107.170
flat angles C4'-P-C4' energy: -142.699
flat angles P-C4'-P energy: -81.320
tors. eta vs tors. theta energy: -170.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1799.496322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.496322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.496322 (E_RNA)
where:
Base-Base interactions energy: -1201.453
where: short stacking energy: -518.191
Base-Backbone interact. energy: 0.732
local terms energy: -598.774944
where:
bonds (distance) C4'-P energy: -108.133
bonds (distance) P-C4' energy: -114.468
flat angles C4'-P-C4' energy: -129.000
flat angles P-C4'-P energy: -87.888
tors. eta vs tors. theta energy: -159.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1712.976745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.976745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.976745 (E_RNA)
where:
Base-Base interactions energy: -1154.562
where: short stacking energy: -481.533
Base-Backbone interact. energy: -2.384
local terms energy: -556.030552
where:
bonds (distance) C4'-P energy: -110.297
bonds (distance) P-C4' energy: -113.379
flat angles C4'-P-C4' energy: -122.272
flat angles P-C4'-P energy: -70.674
tors. eta vs tors. theta energy: -139.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1437.567178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.567178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.567178 (E_RNA)
where:
Base-Base interactions energy: -925.620
where: short stacking energy: -404.386
Base-Backbone interact. energy: -1.185
local terms energy: -510.761753
where:
bonds (distance) C4'-P energy: -95.557
bonds (distance) P-C4' energy: -117.411
flat angles C4'-P-C4' energy: -120.932
flat angles P-C4'-P energy: -78.045
tors. eta vs tors. theta energy: -98.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1326.375353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.375353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.375353 (E_RNA)
where:
Base-Base interactions energy: -860.249
where: short stacking energy: -394.841
Base-Backbone interact. energy: -3.168
local terms energy: -462.958051
where:
bonds (distance) C4'-P energy: -95.690
bonds (distance) P-C4' energy: -98.076
flat angles C4'-P-C4' energy: -94.979
flat angles P-C4'-P energy: -74.685
tors. eta vs tors. theta energy: -99.528
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: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -964.603840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.603840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.603840 (E_RNA)
where:
Base-Base interactions energy: -583.637
where: short stacking energy: -287.526
Base-Backbone interact. energy: -2.483
local terms energy: -378.484674
where:
bonds (distance) C4'-P energy: -87.779
bonds (distance) P-C4' energy: -107.618
flat angles C4'-P-C4' energy: -86.958
flat angles P-C4'-P energy: -53.244
tors. eta vs tors. theta energy: -42.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -834.515516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.515516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.515516 (E_RNA)
where:
Base-Base interactions energy: -496.885
where: short stacking energy: -224.747
Base-Backbone interact. energy: -0.486
local terms energy: -337.144652
where:
bonds (distance) C4'-P energy: -87.520
bonds (distance) P-C4' energy: -85.528
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -66.461
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -493.829698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.829698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.829698 (E_RNA)
where:
Base-Base interactions energy: -193.335
where: short stacking energy: -117.548
Base-Backbone interact. energy: 3.244
local terms energy: -303.738886
where:
bonds (distance) C4'-P energy: -77.717
bonds (distance) P-C4' energy: -105.985
flat angles C4'-P-C4' energy: -88.348
flat angles P-C4'-P energy: -62.132
tors. eta vs tors. theta energy: 30.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2057.094335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.094335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.094335 (E_RNA)
where:
Base-Base interactions energy: -1441.953
where: short stacking energy: -576.686
Base-Backbone interact. energy: -3.127
local terms energy: -612.014035
where:
bonds (distance) C4'-P energy: -109.704
bonds (distance) P-C4' energy: -113.591
flat angles C4'-P-C4' energy: -132.754
flat angles P-C4'-P energy: -88.681
tors. eta vs tors. theta energy: -167.284
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: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1975.767512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.767512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.767512 (E_RNA)
where:
Base-Base interactions energy: -1392.831
where: short stacking energy: -588.136
Base-Backbone interact. energy: 5.385
local terms energy: -588.321608
where:
bonds (distance) C4'-P energy: -110.452
bonds (distance) P-C4' energy: -107.717
flat angles C4'-P-C4' energy: -125.377
flat angles P-C4'-P energy: -77.819
tors. eta vs tors. theta energy: -166.957
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: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1839.964108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.964108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.964108 (E_RNA)
where:
Base-Base interactions energy: -1260.952
where: short stacking energy: -542.254
Base-Backbone interact. energy: -2.327
local terms energy: -576.685458
where:
bonds (distance) C4'-P energy: -108.597
bonds (distance) P-C4' energy: -113.568
flat angles C4'-P-C4' energy: -125.798
flat angles P-C4'-P energy: -85.675
tors. eta vs tors. theta energy: -143.048
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: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1810.004720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.004720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.004720 (E_RNA)
where:
Base-Base interactions energy: -1217.122
where: short stacking energy: -527.966
Base-Backbone interact. energy: 3.788
local terms energy: -596.670936
where:
bonds (distance) C4'-P energy: -114.651
bonds (distance) P-C4' energy: -112.589
flat angles C4'-P-C4' energy: -118.780
flat angles P-C4'-P energy: -90.381
tors. eta vs tors. theta energy: -160.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1745.279130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.279130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.279130 (E_RNA)
where:
Base-Base interactions energy: -1196.425
where: short stacking energy: -492.262
Base-Backbone interact. energy: -2.332
local terms energy: -546.522021
where:
bonds (distance) C4'-P energy: -81.451
bonds (distance) P-C4' energy: -123.662
flat angles C4'-P-C4' energy: -118.400
flat angles P-C4'-P energy: -74.855
tors. eta vs tors. theta energy: -148.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1425.867938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.867938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.867938 (E_RNA)
where:
Base-Base interactions energy: -928.568
where: short stacking energy: -416.195
Base-Backbone interact. energy: -3.828
local terms energy: -493.472158
where:
bonds (distance) C4'-P energy: -103.269
bonds (distance) P-C4' energy: -97.007
flat angles C4'-P-C4' energy: -115.628
flat angles P-C4'-P energy: -68.874
tors. eta vs tors. theta energy: -108.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1292.796592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.796592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.796592 (E_RNA)
where:
Base-Base interactions energy: -826.563
where: short stacking energy: -348.748
Base-Backbone interact. energy: -0.392
local terms energy: -465.842061
where:
bonds (distance) C4'-P energy: -85.674
bonds (distance) P-C4' energy: -104.730
flat angles C4'-P-C4' energy: -116.991
flat angles P-C4'-P energy: -68.756
tors. eta vs tors. theta energy: -89.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -908.167986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.167986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.167986 (E_RNA)
where:
Base-Base interactions energy: -541.498
where: short stacking energy: -264.603
Base-Backbone interact. energy: 0.001
local terms energy: -366.671006
where:
bonds (distance) C4'-P energy: -78.829
bonds (distance) P-C4' energy: -89.930
flat angles C4'-P-C4' energy: -100.111
flat angles P-C4'-P energy: -59.356
tors. eta vs tors. theta energy: -38.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -865.342153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.342153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.342153 (E_RNA)
where:
Base-Base interactions energy: -493.646
where: short stacking energy: -235.190
Base-Backbone interact. energy: -1.277
local terms energy: -370.419146
where:
bonds (distance) C4'-P energy: -98.901
bonds (distance) P-C4' energy: -84.696
flat angles C4'-P-C4' energy: -98.539
flat angles P-C4'-P energy: -59.959
tors. eta vs tors. theta energy: -28.325
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: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -497.535172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.535172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.535172 (E_RNA)
where:
Base-Base interactions energy: -178.344
where: short stacking energy: -173.361
Base-Backbone interact. energy: 3.143
local terms energy: -322.334597
where:
bonds (distance) C4'-P energy: -83.081
bonds (distance) P-C4' energy: -99.060
flat angles C4'-P-C4' energy: -90.674
flat angles P-C4'-P energy: -50.102
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2063.188894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.188894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.188894 (E_RNA)
where:
Base-Base interactions energy: -1430.661
where: short stacking energy: -596.818
Base-Backbone interact. energy: -4.075
local terms energy: -628.452983
where:
bonds (distance) C4'-P energy: -109.000
bonds (distance) P-C4' energy: -121.737
flat angles C4'-P-C4' energy: -137.525
flat angles P-C4'-P energy: -92.193
tors. eta vs tors. theta energy: -167.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2011.678914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.678914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.678914 (E_RNA)
where:
Base-Base interactions energy: -1401.122
where: short stacking energy: -579.110
Base-Backbone interact. energy: -1.706
local terms energy: -608.851058
where:
bonds (distance) C4'-P energy: -112.447
bonds (distance) P-C4' energy: -119.266
flat angles C4'-P-C4' energy: -122.885
flat angles P-C4'-P energy: -85.703
tors. eta vs tors. theta energy: -168.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1842.906995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.906995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.906995 (E_RNA)
where:
Base-Base interactions energy: -1256.857
where: short stacking energy: -544.099
Base-Backbone interact. energy: -2.666
local terms energy: -583.383610
where:
bonds (distance) C4'-P energy: -114.162
bonds (distance) P-C4' energy: -125.312
flat angles C4'-P-C4' energy: -121.347
flat angles P-C4'-P energy: -70.205
tors. eta vs tors. theta energy: -152.358
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: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1779.892297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.892297 (E_RNA)
where:
Base-Base interactions energy: -1210.390
where: short stacking energy: -525.365
Base-Backbone interact. energy: 0.074
local terms energy: -569.576357
where:
bonds (distance) C4'-P energy: -107.963
bonds (distance) P-C4' energy: -112.955
flat angles C4'-P-C4' energy: -122.617
flat angles P-C4'-P energy: -79.631
tors. eta vs tors. theta energy: -146.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1768.829576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.829576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.829576 (E_RNA)
where:
Base-Base interactions energy: -1204.860
where: short stacking energy: -492.398
Base-Backbone interact. energy: -3.441
local terms energy: -560.528708
where:
bonds (distance) C4'-P energy: -115.949
bonds (distance) P-C4' energy: -100.593
flat angles C4'-P-C4' energy: -121.876
flat angles P-C4'-P energy: -89.415
tors. eta vs tors. theta energy: -132.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1477.420877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.420877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.420877 (E_RNA)
where:
Base-Base interactions energy: -956.816
where: short stacking energy: -428.051
Base-Backbone interact. energy: -1.712
local terms energy: -518.892945
where:
bonds (distance) C4'-P energy: -114.810
bonds (distance) P-C4' energy: -101.306
flat angles C4'-P-C4' energy: -114.670
flat angles P-C4'-P energy: -77.261
tors. eta vs tors. theta energy: -110.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1337.962074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.962074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.962074 (E_RNA)
where:
Base-Base interactions energy: -889.911
where: short stacking energy: -385.740
Base-Backbone interact. energy: -4.200
local terms energy: -443.850474
where:
bonds (distance) C4'-P energy: -77.398
bonds (distance) P-C4' energy: -84.095
flat angles C4'-P-C4' energy: -114.116
flat angles P-C4'-P energy: -67.389
tors. eta vs tors. theta energy: -100.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1003.896106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.896106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.896106 (E_RNA)
where:
Base-Base interactions energy: -612.546
where: short stacking energy: -312.071
Base-Backbone interact. energy: -2.996
local terms energy: -388.354034
where:
bonds (distance) C4'-P energy: -97.694
bonds (distance) P-C4' energy: -103.658
flat angles C4'-P-C4' energy: -88.338
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -50.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -892.537002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.537002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.537002 (E_RNA)
where:
Base-Base interactions energy: -499.922
where: short stacking energy: -255.906
Base-Backbone interact. energy: 6.677
local terms energy: -399.291953
where:
bonds (distance) C4'-P energy: -92.769
bonds (distance) P-C4' energy: -102.864
flat angles C4'-P-C4' energy: -97.795
flat angles P-C4'-P energy: -64.384
tors. eta vs tors. theta energy: -41.479
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: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -463.667679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.667679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.667679 (E_RNA)
where:
Base-Base interactions energy: -154.654
where: short stacking energy: -118.327
Base-Backbone interact. energy: -1.853
local terms energy: -307.160965
where:
bonds (distance) C4'-P energy: -104.736
bonds (distance) P-C4' energy: -104.061
flat angles C4'-P-C4' energy: -70.028
flat angles P-C4'-P energy: -53.513
tors. eta vs tors. theta energy: 25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2067.917393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.917393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.917393 (E_RNA)
where:
Base-Base interactions energy: -1453.993
where: short stacking energy: -602.717
Base-Backbone interact. energy: -3.595
local terms energy: -610.329443
where:
bonds (distance) C4'-P energy: -104.669
bonds (distance) P-C4' energy: -114.411
flat angles C4'-P-C4' energy: -128.334
flat angles P-C4'-P energy: -94.508
tors. eta vs tors. theta energy: -168.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1985.753992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.753992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.753992 (E_RNA)
where:
Base-Base interactions energy: -1370.969
where: short stacking energy: -564.684
Base-Backbone interact. energy: -2.349
local terms energy: -612.435958
where:
bonds (distance) C4'-P energy: -113.537
bonds (distance) P-C4' energy: -117.767
flat angles C4'-P-C4' energy: -129.002
flat angles P-C4'-P energy: -84.628
tors. eta vs tors. theta energy: -167.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1820.680514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.680514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.680514 (E_RNA)
where:
Base-Base interactions energy: -1254.406
where: short stacking energy: -540.607
Base-Backbone interact. energy: -1.545
local terms energy: -564.729892
where:
bonds (distance) C4'-P energy: -74.572
bonds (distance) P-C4' energy: -126.029
flat angles C4'-P-C4' energy: -131.435
flat angles P-C4'-P energy: -84.549
tors. eta vs tors. theta energy: -148.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1788.658464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.658464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.658464 (E_RNA)
where:
Base-Base interactions energy: -1225.610
where: short stacking energy: -515.011
Base-Backbone interact. energy: 1.462
local terms energy: -564.510922
where:
bonds (distance) C4'-P energy: -103.125
bonds (distance) P-C4' energy: -98.698
flat angles C4'-P-C4' energy: -122.388
flat angles P-C4'-P energy: -89.284
tors. eta vs tors. theta energy: -151.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1733.353660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.353660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.353660 (E_RNA)
where:
Base-Base interactions energy: -1159.693
where: short stacking energy: -505.906
Base-Backbone interact. energy: 1.096
local terms energy: -574.757102
where:
bonds (distance) C4'-P energy: -99.936
bonds (distance) P-C4' energy: -114.249
flat angles C4'-P-C4' energy: -120.336
flat angles P-C4'-P energy: -82.372
tors. eta vs tors. theta energy: -157.865
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: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1467.050199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.050199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.050199 (E_RNA)
where:
Base-Base interactions energy: -970.834
where: short stacking energy: -400.172
Base-Backbone interact. energy: 0.133
local terms energy: -496.349388
where:
bonds (distance) C4'-P energy: -93.196
bonds (distance) P-C4' energy: -109.553
flat angles C4'-P-C4' energy: -111.780
flat angles P-C4'-P energy: -75.379
tors. eta vs tors. theta energy: -106.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1358.659154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.659154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.659154 (E_RNA)
where:
Base-Base interactions energy: -892.259
where: short stacking energy: -399.598
Base-Backbone interact. energy: -0.108
local terms energy: -466.292051
where:
bonds (distance) C4'-P energy: -98.647
bonds (distance) P-C4' energy: -106.191
flat angles C4'-P-C4' energy: -105.383
flat angles P-C4'-P energy: -58.040
tors. eta vs tors. theta energy: -98.030
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: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -964.859098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.859098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.859098 (E_RNA)
where:
Base-Base interactions energy: -560.427
where: short stacking energy: -277.304
Base-Backbone interact. energy: 0.446
local terms energy: -404.877724
where:
bonds (distance) C4'-P energy: -99.541
bonds (distance) P-C4' energy: -95.078
flat angles C4'-P-C4' energy: -108.484
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -61.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -808.423739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.423739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.423739 (E_RNA)
where:
Base-Base interactions energy: -442.022
where: short stacking energy: -205.590
Base-Backbone interact. energy: 4.519
local terms energy: -370.920886
where:
bonds (distance) C4'-P energy: -103.078
bonds (distance) P-C4' energy: -80.189
flat angles C4'-P-C4' energy: -103.203
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -502.086698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.086698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.086698 (E_RNA)
where:
Base-Base interactions energy: -205.471
where: short stacking energy: -137.116
Base-Backbone interact. energy: 1.635
local terms energy: -298.250961
where:
bonds (distance) C4'-P energy: -96.952
bonds (distance) P-C4' energy: -75.565
flat angles C4'-P-C4' energy: -94.069
flat angles P-C4'-P energy: -54.242
tors. eta vs tors. theta energy: 22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2062.670371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.670371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.670371 (E_RNA)
where:
Base-Base interactions energy: -1428.136
where: short stacking energy: -573.292
Base-Backbone interact. energy: -2.798
local terms energy: -631.736624
where:
bonds (distance) C4'-P energy: -124.485
bonds (distance) P-C4' energy: -121.009
flat angles C4'-P-C4' energy: -138.581
flat angles P-C4'-P energy: -83.483
tors. eta vs tors. theta energy: -164.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2033.398334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.398334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.398334 (E_RNA)
where:
Base-Base interactions energy: -1398.192
where: short stacking energy: -583.369
Base-Backbone interact. energy: -3.057
local terms energy: -632.149187
where:
bonds (distance) C4'-P energy: -118.476
bonds (distance) P-C4' energy: -114.880
flat angles C4'-P-C4' energy: -132.875
flat angles P-C4'-P energy: -90.271
tors. eta vs tors. theta energy: -175.646
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: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1876.163608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.163608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.163608 (E_RNA)
where:
Base-Base interactions energy: -1262.564
where: short stacking energy: -538.247
Base-Backbone interact. energy: -3.798
local terms energy: -609.802407
where:
bonds (distance) C4'-P energy: -110.436
bonds (distance) P-C4' energy: -125.589
flat angles C4'-P-C4' energy: -118.521
flat angles P-C4'-P energy: -88.370
tors. eta vs tors. theta energy: -166.886
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: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1795.659902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.659902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.659902 (E_RNA)
where:
Base-Base interactions energy: -1217.150
where: short stacking energy: -511.454
Base-Backbone interact. energy: -4.995
local terms energy: -573.514779
where:
bonds (distance) C4'-P energy: -114.943
bonds (distance) P-C4' energy: -96.312
flat angles C4'-P-C4' energy: -122.463
flat angles P-C4'-P energy: -88.680
tors. eta vs tors. theta energy: -151.117
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: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1738.726924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.726924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.726924 (E_RNA)
where:
Base-Base interactions energy: -1151.720
where: short stacking energy: -493.495
Base-Backbone interact. energy: 1.286
local terms energy: -588.293468
where:
bonds (distance) C4'-P energy: -104.951
bonds (distance) P-C4' energy: -114.462
flat angles C4'-P-C4' energy: -136.798
flat angles P-C4'-P energy: -83.404
tors. eta vs tors. theta energy: -148.678
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: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1491.011230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.011230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.011230 (E_RNA)
where:
Base-Base interactions energy: -1015.527
where: short stacking energy: -415.121
Base-Backbone interact. energy: 0.915
local terms energy: -476.399377
where:
bonds (distance) C4'-P energy: -89.579
bonds (distance) P-C4' energy: -80.752
flat angles C4'-P-C4' energy: -122.016
flat angles P-C4'-P energy: -79.925
tors. eta vs tors. theta energy: -104.127
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: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1384.034271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.034271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.034271 (E_RNA)
where:
Base-Base interactions energy: -923.548
where: short stacking energy: -393.866
Base-Backbone interact. energy: -1.678
local terms energy: -458.808208
where:
bonds (distance) C4'-P energy: -95.912
bonds (distance) P-C4' energy: -98.366
flat angles C4'-P-C4' energy: -98.200
flat angles P-C4'-P energy: -73.044
tors. eta vs tors. theta energy: -93.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -968.659773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.659773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.659773 (E_RNA)
where:
Base-Base interactions energy: -563.203
where: short stacking energy: -280.903
Base-Backbone interact. energy: -1.940
local terms energy: -403.516839
where:
bonds (distance) C4'-P energy: -84.816
bonds (distance) P-C4' energy: -101.545
flat angles C4'-P-C4' energy: -98.832
flat angles P-C4'-P energy: -60.591
tors. eta vs tors. theta energy: -57.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -796.628318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.628318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.628318 (E_RNA)
where:
Base-Base interactions energy: -401.020
where: short stacking energy: -188.656
Base-Backbone interact. energy: 1.394
local terms energy: -397.002405
where:
bonds (distance) C4'-P energy: -106.351
bonds (distance) P-C4' energy: -99.283
flat angles C4'-P-C4' energy: -102.849
flat angles P-C4'-P energy: -67.863
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -504.092077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.092077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.092077 (E_RNA)
where:
Base-Base interactions energy: -216.161
where: short stacking energy: -129.464
Base-Backbone interact. energy: -0.238
local terms energy: -287.693254
where:
bonds (distance) C4'-P energy: -76.587
bonds (distance) P-C4' energy: -95.853
flat angles C4'-P-C4' energy: -79.738
flat angles P-C4'-P energy: -50.619
tors. eta vs tors. theta energy: 15.104
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: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2063.445888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.445888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.445888 (E_RNA)
where:
Base-Base interactions energy: -1435.889
where: short stacking energy: -581.299
Base-Backbone interact. energy: -3.759
local terms energy: -623.797835
where:
bonds (distance) C4'-P energy: -106.085
bonds (distance) P-C4' energy: -136.594
flat angles C4'-P-C4' energy: -132.150
flat angles P-C4'-P energy: -82.012
tors. eta vs tors. theta energy: -166.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1995.580531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.580531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.580531 (E_RNA)
where:
Base-Base interactions energy: -1383.408
where: short stacking energy: -578.855
Base-Backbone interact. energy: -0.924
local terms energy: -611.248482
where:
bonds (distance) C4'-P energy: -116.704
bonds (distance) P-C4' energy: -106.977
flat angles C4'-P-C4' energy: -135.487
flat angles P-C4'-P energy: -84.706
tors. eta vs tors. theta energy: -167.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1852.157046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.157046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.157046 (E_RNA)
where:
Base-Base interactions energy: -1227.397
where: short stacking energy: -532.418
Base-Backbone interact. energy: -2.363
local terms energy: -622.397028
where:
bonds (distance) C4'-P energy: -114.769
bonds (distance) P-C4' energy: -125.384
flat angles C4'-P-C4' energy: -122.354
flat angles P-C4'-P energy: -88.874
tors. eta vs tors. theta energy: -171.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1811.242331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.242331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.242331 (E_RNA)
where:
Base-Base interactions energy: -1254.844
where: short stacking energy: -528.006
Base-Backbone interact. energy: -0.372
local terms energy: -556.026150
where:
bonds (distance) C4'-P energy: -111.663
bonds (distance) P-C4' energy: -119.013
flat angles C4'-P-C4' energy: -98.741
flat angles P-C4'-P energy: -77.776
tors. eta vs tors. theta energy: -148.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1698.326050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.326050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.326050 (E_RNA)
where:
Base-Base interactions energy: -1146.662
where: short stacking energy: -508.173
Base-Backbone interact. energy: 0.026
local terms energy: -551.690033
where:
bonds (distance) C4'-P energy: -103.659
bonds (distance) P-C4' energy: -86.664
flat angles C4'-P-C4' energy: -126.046
flat angles P-C4'-P energy: -83.572
tors. eta vs tors. theta energy: -151.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1536.180261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.180261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.180261 (E_RNA)
where:
Base-Base interactions energy: -1031.865
where: short stacking energy: -450.031
Base-Backbone interact. energy: -0.988
local terms energy: -503.327713
where:
bonds (distance) C4'-P energy: -89.521
bonds (distance) P-C4' energy: -103.817
flat angles C4'-P-C4' energy: -122.605
flat angles P-C4'-P energy: -69.150
tors. eta vs tors. theta energy: -118.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1339.363051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.363051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.363051 (E_RNA)
where:
Base-Base interactions energy: -850.673
where: short stacking energy: -378.039
Base-Backbone interact. energy: 8.462
local terms energy: -497.152272
where:
bonds (distance) C4'-P energy: -104.658
bonds (distance) P-C4' energy: -117.687
flat angles C4'-P-C4' energy: -104.812
flat angles P-C4'-P energy: -69.667
tors. eta vs tors. theta energy: -100.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -832.993123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.993123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.993123 (E_RNA)
where:
Base-Base interactions energy: -447.044
where: short stacking energy: -224.975
Base-Backbone interact. energy: -0.413
local terms energy: -385.535975
where:
bonds (distance) C4'-P energy: -111.775
bonds (distance) P-C4' energy: -92.090
flat angles C4'-P-C4' energy: -92.830
flat angles P-C4'-P energy: -67.795
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -935.248162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.248162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.248162 (E_RNA)
where:
Base-Base interactions energy: -576.668
where: short stacking energy: -299.899
Base-Backbone interact. energy: -0.225
local terms energy: -358.354897
where:
bonds (distance) C4'-P energy: -77.077
bonds (distance) P-C4' energy: -92.748
flat angles C4'-P-C4' energy: -87.052
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -52.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -516.815498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.815498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.815498 (E_RNA)
where:
Base-Base interactions energy: -205.548
where: short stacking energy: -133.836
Base-Backbone interact. energy: -2.047
local terms energy: -309.220520
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -97.924
flat angles C4'-P-C4' energy: -78.860
flat angles P-C4'-P energy: -64.723
tors. eta vs tors. theta energy: 23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2043.201077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.201077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.201077 (E_RNA)
where:
Base-Base interactions energy: -1417.866
where: short stacking energy: -594.805
Base-Backbone interact. energy: -2.465
local terms energy: -622.869485
where:
bonds (distance) C4'-P energy: -113.329
bonds (distance) P-C4' energy: -125.544
flat angles C4'-P-C4' energy: -139.105
flat angles P-C4'-P energy: -83.135
tors. eta vs tors. theta energy: -161.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1984.826744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.826744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.826744 (E_RNA)
where:
Base-Base interactions energy: -1387.557
where: short stacking energy: -595.572
Base-Backbone interact. energy: 1.091
local terms energy: -598.361592
where:
bonds (distance) C4'-P energy: -89.645
bonds (distance) P-C4' energy: -99.298
flat angles C4'-P-C4' energy: -137.475
flat angles P-C4'-P energy: -89.714
tors. eta vs tors. theta energy: -182.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1884.125233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.125233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.125233 (E_RNA)
where:
Base-Base interactions energy: -1303.518
where: short stacking energy: -539.710
Base-Backbone interact. energy: -2.984
local terms energy: -577.622758
where:
bonds (distance) C4'-P energy: -103.032
bonds (distance) P-C4' energy: -107.366
flat angles C4'-P-C4' energy: -140.427
flat angles P-C4'-P energy: -82.956
tors. eta vs tors. theta energy: -143.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1748.885745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.885745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.885745 (E_RNA)
where:
Base-Base interactions energy: -1176.401
where: short stacking energy: -505.757
Base-Backbone interact. energy: -3.829
local terms energy: -568.655600
where:
bonds (distance) C4'-P energy: -108.427
bonds (distance) P-C4' energy: -108.711
flat angles C4'-P-C4' energy: -115.289
flat angles P-C4'-P energy: -84.312
tors. eta vs tors. theta energy: -151.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1679.884021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.884021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.884021 (E_RNA)
where:
Base-Base interactions energy: -1132.812
where: short stacking energy: -496.637
Base-Backbone interact. energy: -1.798
local terms energy: -545.273657
where:
bonds (distance) C4'-P energy: -102.474
bonds (distance) P-C4' energy: -101.276
flat angles C4'-P-C4' energy: -119.488
flat angles P-C4'-P energy: -75.070
tors. eta vs tors. theta energy: -146.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1508.644148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.644148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.644148 (E_RNA)
where:
Base-Base interactions energy: -988.190
where: short stacking energy: -446.068
Base-Backbone interact. energy: -1.178
local terms energy: -519.276608
where:
bonds (distance) C4'-P energy: -110.373
bonds (distance) P-C4' energy: -104.722
flat angles C4'-P-C4' energy: -108.201
flat angles P-C4'-P energy: -81.345
tors. eta vs tors. theta energy: -114.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1325.200254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.200254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.200254 (E_RNA)
where:
Base-Base interactions energy: -846.382
where: short stacking energy: -387.983
Base-Backbone interact. energy: -0.300
local terms energy: -478.518104
where:
bonds (distance) C4'-P energy: -94.867
bonds (distance) P-C4' energy: -123.990
flat angles C4'-P-C4' energy: -99.146
flat angles P-C4'-P energy: -63.157
tors. eta vs tors. theta energy: -97.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -822.487871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.487871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.487871 (E_RNA)
where:
Base-Base interactions energy: -452.058
where: short stacking energy: -240.111
Base-Backbone interact. energy: -0.502
local terms energy: -369.927738
where:
bonds (distance) C4'-P energy: -116.107
bonds (distance) P-C4' energy: -94.586
flat angles C4'-P-C4' energy: -81.632
flat angles P-C4'-P energy: -61.597
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -921.100852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.100852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.100852 (E_RNA)
where:
Base-Base interactions energy: -527.930
where: short stacking energy: -271.129
Base-Backbone interact. energy: -1.446
local terms energy: -391.724785
where:
bonds (distance) C4'-P energy: -86.464
bonds (distance) P-C4' energy: -97.610
flat angles C4'-P-C4' energy: -104.823
flat angles P-C4'-P energy: -64.985
tors. eta vs tors. theta energy: -37.843
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: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -488.775413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.775413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.775413 (E_RNA)
where:
Base-Base interactions energy: -181.499
where: short stacking energy: -115.282
Base-Backbone interact. energy: 1.079
local terms energy: -308.355707
where:
bonds (distance) C4'-P energy: -93.059
bonds (distance) P-C4' energy: -85.203
flat angles C4'-P-C4' energy: -92.203
flat angles P-C4'-P energy: -54.240
tors. eta vs tors. theta energy: 16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2036.806950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.806950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.806950 (E_RNA)
where:
Base-Base interactions energy: -1410.882
where: short stacking energy: -583.852
Base-Backbone interact. energy: -2.938
local terms energy: -622.987613
where:
bonds (distance) C4'-P energy: -118.577
bonds (distance) P-C4' energy: -120.758
flat angles C4'-P-C4' energy: -129.645
flat angles P-C4'-P energy: -84.193
tors. eta vs tors. theta energy: -169.814
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: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2009.138780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.138780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.138780 (E_RNA)
where:
Base-Base interactions energy: -1391.683
where: short stacking energy: -593.289
Base-Backbone interact. energy: -2.017
local terms energy: -615.438783
where:
bonds (distance) C4'-P energy: -105.945
bonds (distance) P-C4' energy: -119.360
flat angles C4'-P-C4' energy: -126.876
flat angles P-C4'-P energy: -84.583
tors. eta vs tors. theta energy: -178.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1880.122033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.122033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.122033 (E_RNA)
where:
Base-Base interactions energy: -1308.633
where: short stacking energy: -553.751
Base-Backbone interact. energy: -2.491
local terms energy: -568.998666
where:
bonds (distance) C4'-P energy: -91.247
bonds (distance) P-C4' energy: -115.947
flat angles C4'-P-C4' energy: -122.908
flat angles P-C4'-P energy: -81.101
tors. eta vs tors. theta energy: -157.795
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: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1732.627138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.627138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.627138 (E_RNA)
where:
Base-Base interactions energy: -1162.937
where: short stacking energy: -490.732
Base-Backbone interact. energy: 2.409
local terms energy: -572.099422
where:
bonds (distance) C4'-P energy: -103.065
bonds (distance) P-C4' energy: -115.571
flat angles C4'-P-C4' energy: -130.817
flat angles P-C4'-P energy: -70.518
tors. eta vs tors. theta energy: -152.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1612.452529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.452529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.452529 (E_RNA)
where:
Base-Base interactions energy: -1102.916
where: short stacking energy: -490.543
Base-Backbone interact. energy: -3.088
local terms energy: -506.448148
where:
bonds (distance) C4'-P energy: -105.311
bonds (distance) P-C4' energy: -113.297
flat angles C4'-P-C4' energy: -110.662
flat angles P-C4'-P energy: -59.562
tors. eta vs tors. theta energy: -117.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1513.948851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.948851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.948851 (E_RNA)
where:
Base-Base interactions energy: -1030.377
where: short stacking energy: -428.151
Base-Backbone interact. energy: -2.588
local terms energy: -480.984541
where:
bonds (distance) C4'-P energy: -100.781
bonds (distance) P-C4' energy: -109.036
flat angles C4'-P-C4' energy: -97.576
flat angles P-C4'-P energy: -59.116
tors. eta vs tors. theta energy: -114.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1325.515181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.515181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.515181 (E_RNA)
where:
Base-Base interactions energy: -832.054
where: short stacking energy: -385.503
Base-Backbone interact. energy: 3.595
local terms energy: -497.056286
where:
bonds (distance) C4'-P energy: -89.794
bonds (distance) P-C4' energy: -110.092
flat angles C4'-P-C4' energy: -122.095
flat angles P-C4'-P energy: -78.450
tors. eta vs tors. theta energy: -96.626
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -965.809432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.809432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.809432 (E_RNA)
where:
Base-Base interactions energy: -581.292
where: short stacking energy: -308.231
Base-Backbone interact. energy: -1.082
local terms energy: -383.435818
where:
bonds (distance) C4'-P energy: -81.758
bonds (distance) P-C4' energy: -93.524
flat angles C4'-P-C4' energy: -82.323
flat angles P-C4'-P energy: -57.456
tors. eta vs tors. theta energy: -68.375
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: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -788.239563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.239563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.239563 (E_RNA)
where:
Base-Base interactions energy: -433.184
where: short stacking energy: -229.110
Base-Backbone interact. energy: 1.390
local terms energy: -356.445561
where:
bonds (distance) C4'-P energy: -93.062
bonds (distance) P-C4' energy: -86.717
flat angles C4'-P-C4' energy: -101.857
flat angles P-C4'-P energy: -53.728
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -532.143387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.143387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.143387 (E_RNA)
where:
Base-Base interactions energy: -206.383
where: short stacking energy: -163.871
Base-Backbone interact. energy: -2.374
local terms energy: -323.386656
where:
bonds (distance) C4'-P energy: -102.687
bonds (distance) P-C4' energy: -99.161
flat angles C4'-P-C4' energy: -73.723
flat angles P-C4'-P energy: -44.364
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2026.551962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.551962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.551962 (E_RNA)
where:
Base-Base interactions energy: -1390.032
where: short stacking energy: -590.027
Base-Backbone interact. energy: -1.951
local terms energy: -634.568863
where:
bonds (distance) C4'-P energy: -112.584
bonds (distance) P-C4' energy: -123.893
flat angles C4'-P-C4' energy: -133.077
flat angles P-C4'-P energy: -83.472
tors. eta vs tors. theta energy: -181.543
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: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1996.917033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.917033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.917033 (E_RNA)
where:
Base-Base interactions energy: -1376.982
where: short stacking energy: -565.804
Base-Backbone interact. energy: 0.419
local terms energy: -620.354715
where:
bonds (distance) C4'-P energy: -122.524
bonds (distance) P-C4' energy: -115.749
flat angles C4'-P-C4' energy: -133.748
flat angles P-C4'-P energy: -74.941
tors. eta vs tors. theta energy: -173.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1844.999296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.999296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.999296 (E_RNA)
where:
Base-Base interactions energy: -1262.289
where: short stacking energy: -532.128
Base-Backbone interact. energy: 1.871
local terms energy: -584.581014
where:
bonds (distance) C4'-P energy: -110.158
bonds (distance) P-C4' energy: -111.180
flat angles C4'-P-C4' energy: -129.360
flat angles P-C4'-P energy: -85.143
tors. eta vs tors. theta energy: -148.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1795.096483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.096483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.096483 (E_RNA)
where:
Base-Base interactions energy: -1206.349
where: short stacking energy: -534.125
Base-Backbone interact. energy: 3.528
local terms energy: -592.274993
where:
bonds (distance) C4'-P energy: -100.070
bonds (distance) P-C4' energy: -116.955
flat angles C4'-P-C4' energy: -123.275
flat angles P-C4'-P energy: -92.067
tors. eta vs tors. theta energy: -159.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1634.999864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.999864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.999864 (E_RNA)
where:
Base-Base interactions energy: -1083.321
where: short stacking energy: -463.641
Base-Backbone interact. energy: -2.537
local terms energy: -549.142417
where:
bonds (distance) C4'-P energy: -117.084
bonds (distance) P-C4' energy: -89.309
flat angles C4'-P-C4' energy: -125.549
flat angles P-C4'-P energy: -73.945
tors. eta vs tors. theta energy: -143.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1570.872053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.872053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.872053 (E_RNA)
where:
Base-Base interactions energy: -1054.871
where: short stacking energy: -455.853
Base-Backbone interact. energy: -4.449
local terms energy: -511.552054
where:
bonds (distance) C4'-P energy: -104.271
bonds (distance) P-C4' energy: -106.898
flat angles C4'-P-C4' energy: -104.014
flat angles P-C4'-P energy: -77.856
tors. eta vs tors. theta energy: -118.513
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: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1278.122433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.122433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.122433 (E_RNA)
where:
Base-Base interactions energy: -826.356
where: short stacking energy: -359.386
Base-Backbone interact. energy: -2.017
local terms energy: -449.750013
where:
bonds (distance) C4'-P energy: -92.978
bonds (distance) P-C4' energy: -105.077
flat angles C4'-P-C4' energy: -106.233
flat angles P-C4'-P energy: -61.564
tors. eta vs tors. theta energy: -83.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -938.357045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.357045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.357045 (E_RNA)
where:
Base-Base interactions energy: -562.869
where: short stacking energy: -299.303
Base-Backbone interact. energy: 4.824
local terms energy: -380.311691
where:
bonds (distance) C4'-P energy: -89.199
bonds (distance) P-C4' energy: -98.573
flat angles C4'-P-C4' energy: -83.084
flat angles P-C4'-P energy: -55.444
tors. eta vs tors. theta energy: -54.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -645.979422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.979422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.979422 (E_RNA)
where:
Base-Base interactions energy: -263.148
where: short stacking energy: -155.103
Base-Backbone interact. energy: -4.298
local terms energy: -378.533773
where:
bonds (distance) C4'-P energy: -88.644
bonds (distance) P-C4' energy: -117.807
flat angles C4'-P-C4' energy: -88.236
flat angles P-C4'-P energy: -72.029
tors. eta vs tors. theta energy: -11.818
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: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -433.015599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.015599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.015599 (E_RNA)
where:
Base-Base interactions energy: -130.473
where: short stacking energy: -111.012
Base-Backbone interact. energy: 2.937
local terms energy: -305.479252
where:
bonds (distance) C4'-P energy: -107.357
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -90.591
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: 26.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2029.777268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.777268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.777268 (E_RNA)
where:
Base-Base interactions energy: -1404.310
where: short stacking energy: -586.652
Base-Backbone interact. energy: -3.318
local terms energy: -622.149169
where:
bonds (distance) C4'-P energy: -122.985
bonds (distance) P-C4' energy: -121.842
flat angles C4'-P-C4' energy: -125.867
flat angles P-C4'-P energy: -84.570
tors. eta vs tors. theta energy: -166.885
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: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2011.940592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.940592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.940592 (E_RNA)
where:
Base-Base interactions energy: -1379.573
where: short stacking energy: -574.920
Base-Backbone interact. energy: -4.993
local terms energy: -627.374303
where:
bonds (distance) C4'-P energy: -121.693
bonds (distance) P-C4' energy: -113.885
flat angles C4'-P-C4' energy: -132.003
flat angles P-C4'-P energy: -99.003
tors. eta vs tors. theta energy: -160.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1833.179563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.179563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.179563 (E_RNA)
where:
Base-Base interactions energy: -1260.796
where: short stacking energy: -527.935
Base-Backbone interact. energy: 0.035
local terms energy: -572.418739
where:
bonds (distance) C4'-P energy: -110.337
bonds (distance) P-C4' energy: -111.801
flat angles C4'-P-C4' energy: -126.319
flat angles P-C4'-P energy: -76.017
tors. eta vs tors. theta energy: -147.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1785.951819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.951819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.951819 (E_RNA)
where:
Base-Base interactions energy: -1212.722
where: short stacking energy: -545.134
Base-Backbone interact. energy: -1.649
local terms energy: -571.581557
where:
bonds (distance) C4'-P energy: -95.704
bonds (distance) P-C4' energy: -107.235
flat angles C4'-P-C4' energy: -133.385
flat angles P-C4'-P energy: -71.189
tors. eta vs tors. theta energy: -164.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1648.710583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.710583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.710583 (E_RNA)
where:
Base-Base interactions energy: -1122.489
where: short stacking energy: -485.247
Base-Backbone interact. energy: -0.442
local terms energy: -525.779371
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -108.138
flat angles C4'-P-C4' energy: -114.261
flat angles P-C4'-P energy: -70.502
tors. eta vs tors. theta energy: -138.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1594.513463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.513463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.513463 (E_RNA)
where:
Base-Base interactions energy: -1074.424
where: short stacking energy: -461.716
Base-Backbone interact. energy: -0.539
local terms energy: -519.550185
where:
bonds (distance) C4'-P energy: -89.899
bonds (distance) P-C4' energy: -102.216
flat angles C4'-P-C4' energy: -118.376
flat angles P-C4'-P energy: -72.873
tors. eta vs tors. theta energy: -136.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1310.019255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.019255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.019255 (E_RNA)
where:
Base-Base interactions energy: -850.771
where: short stacking energy: -381.118
Base-Backbone interact. energy: 1.138
local terms energy: -460.386877
where:
bonds (distance) C4'-P energy: -102.042
bonds (distance) P-C4' energy: -103.480
flat angles C4'-P-C4' energy: -100.916
flat angles P-C4'-P energy: -63.785
tors. eta vs tors. theta energy: -90.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -969.059346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.059346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.059346 (E_RNA)
where:
Base-Base interactions energy: -557.921
where: short stacking energy: -298.757
Base-Backbone interact. energy: -1.129
local terms energy: -410.009431
where:
bonds (distance) C4'-P energy: -96.192
bonds (distance) P-C4' energy: -113.493
flat angles C4'-P-C4' energy: -77.454
flat angles P-C4'-P energy: -55.027
tors. eta vs tors. theta energy: -67.844
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: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -640.347094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.347094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.347094 (E_RNA)
where:
Base-Base interactions energy: -281.495
where: short stacking energy: -173.597
Base-Backbone interact. energy: 3.270
local terms energy: -362.122529
where:
bonds (distance) C4'-P energy: -104.502
bonds (distance) P-C4' energy: -108.231
flat angles C4'-P-C4' energy: -86.699
flat angles P-C4'-P energy: -59.573
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -441.636936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.636936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.636936 (E_RNA)
where:
Base-Base interactions energy: -159.803
where: short stacking energy: -118.357
Base-Backbone interact. energy: 1.301
local terms energy: -283.135059
where:
bonds (distance) C4'-P energy: -90.862
bonds (distance) P-C4' energy: -94.448
flat angles C4'-P-C4' energy: -87.837
flat angles P-C4'-P energy: -37.239
tors. eta vs tors. theta energy: 27.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2061.601435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.601435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.601435 (E_RNA)
where:
Base-Base interactions energy: -1437.463
where: short stacking energy: -576.016
Base-Backbone interact. energy: -3.224
local terms energy: -620.914469
where:
bonds (distance) C4'-P energy: -115.627
bonds (distance) P-C4' energy: -130.198
flat angles C4'-P-C4' energy: -130.719
flat angles P-C4'-P energy: -79.796
tors. eta vs tors. theta energy: -164.575
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: 274
Temperature: 0.950000
Total energy: -1980.741249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.741249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.741249 (E_RNA)
where:
Base-Base interactions energy: -1374.952
where: short stacking energy: -568.461
Base-Backbone interact. energy: 1.313
local terms energy: -607.102351
where:
bonds (distance) C4'-P energy: -119.536
bonds (distance) P-C4' energy: -120.000
flat angles C4'-P-C4' energy: -122.173
flat angles P-C4'-P energy: -76.714
tors. eta vs tors. theta energy: -168.680
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: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1856.962615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.962615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.962615 (E_RNA)
where:
Base-Base interactions energy: -1278.559
where: short stacking energy: -551.739
Base-Backbone interact. energy: 0.426
local terms energy: -578.829325
where:
bonds (distance) C4'-P energy: -93.556
bonds (distance) P-C4' energy: -117.706
flat angles C4'-P-C4' energy: -132.146
flat angles P-C4'-P energy: -82.919
tors. eta vs tors. theta energy: -152.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1738.565067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.565067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.565067 (E_RNA)
where:
Base-Base interactions energy: -1167.913
where: short stacking energy: -506.305
Base-Backbone interact. energy: -3.930
local terms energy: -566.721486
where:
bonds (distance) C4'-P energy: -100.560
bonds (distance) P-C4' energy: -109.735
flat angles C4'-P-C4' energy: -126.876
flat angles P-C4'-P energy: -82.325
tors. eta vs tors. theta energy: -147.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1636.401659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.401659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.401659 (E_RNA)
where:
Base-Base interactions energy: -1088.558
where: short stacking energy: -463.947
Base-Backbone interact. energy: -3.580
local terms energy: -544.263341
where:
bonds (distance) C4'-P energy: -96.863
bonds (distance) P-C4' energy: -98.341
flat angles C4'-P-C4' energy: -128.254
flat angles P-C4'-P energy: -85.559
tors. eta vs tors. theta energy: -135.246
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: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1522.065427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.065427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.065427 (E_RNA)
where:
Base-Base interactions energy: -1033.820
where: short stacking energy: -440.470
Base-Backbone interact. energy: 0.287
local terms energy: -488.531840
where:
bonds (distance) C4'-P energy: -93.376
bonds (distance) P-C4' energy: -96.029
flat angles C4'-P-C4' energy: -120.147
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -104.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1329.849818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.849818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.849818 (E_RNA)
where:
Base-Base interactions energy: -860.263
where: short stacking energy: -347.746
Base-Backbone interact. energy: -1.526
local terms energy: -468.060536
where:
bonds (distance) C4'-P energy: -107.459
bonds (distance) P-C4' energy: -106.265
flat angles C4'-P-C4' energy: -96.406
flat angles P-C4'-P energy: -61.004
tors. eta vs tors. theta energy: -96.927
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: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1010.907679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.907679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.907679 (E_RNA)
where:
Base-Base interactions energy: -606.774
where: short stacking energy: -294.640
Base-Backbone interact. energy: 0.624
local terms energy: -404.758197
where:
bonds (distance) C4'-P energy: -104.457
bonds (distance) P-C4' energy: -95.651
flat angles C4'-P-C4' energy: -95.447
flat angles P-C4'-P energy: -58.571
tors. eta vs tors. theta energy: -50.632
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: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -633.685136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.685136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.685136 (E_RNA)
where:
Base-Base interactions energy: -306.301
where: short stacking energy: -177.938
Base-Backbone interact. energy: 1.001
local terms energy: -328.385015
where:
bonds (distance) C4'-P energy: -88.423
bonds (distance) P-C4' energy: -110.855
flat angles C4'-P-C4' energy: -80.814
flat angles P-C4'-P energy: -46.576
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -462.280262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.280262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.280262 (E_RNA)
where:
Base-Base interactions energy: -182.068
where: short stacking energy: -130.903
Base-Backbone interact. energy: 1.996
local terms energy: -282.208649
where:
bonds (distance) C4'-P energy: -99.483
bonds (distance) P-C4' energy: -108.221
flat angles C4'-P-C4' energy: -60.762
flat angles P-C4'-P energy: -46.400
tors. eta vs tors. theta energy: 32.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2049.696062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.696062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.696062 (E_RNA)
where:
Base-Base interactions energy: -1435.728
where: short stacking energy: -580.339
Base-Backbone interact. energy: -3.064
local terms energy: -610.903945
where:
bonds (distance) C4'-P energy: -111.914
bonds (distance) P-C4' energy: -120.296
flat angles C4'-P-C4' energy: -124.023
flat angles P-C4'-P energy: -93.279
tors. eta vs tors. theta energy: -161.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1990.890009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.890009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.890009 (E_RNA)
where:
Base-Base interactions energy: -1392.263
where: short stacking energy: -570.964
Base-Backbone interact. energy: 2.733
local terms energy: -601.359684
where:
bonds (distance) C4'-P energy: -102.615
bonds (distance) P-C4' energy: -118.315
flat angles C4'-P-C4' energy: -127.208
flat angles P-C4'-P energy: -82.729
tors. eta vs tors. theta energy: -170.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1863.039190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.039190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.039190 (E_RNA)
where:
Base-Base interactions energy: -1293.145
where: short stacking energy: -539.814
Base-Backbone interact. energy: -3.956
local terms energy: -565.937975
where:
bonds (distance) C4'-P energy: -112.285
bonds (distance) P-C4' energy: -105.707
flat angles C4'-P-C4' energy: -119.637
flat angles P-C4'-P energy: -81.418
tors. eta vs tors. theta energy: -146.890
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: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1775.946006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.946006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.946006 (E_RNA)
where:
Base-Base interactions energy: -1201.440
where: short stacking energy: -526.326
Base-Backbone interact. energy: -1.713
local terms energy: -572.792459
where:
bonds (distance) C4'-P energy: -95.793
bonds (distance) P-C4' energy: -97.478
flat angles C4'-P-C4' energy: -128.473
flat angles P-C4'-P energy: -93.130
tors. eta vs tors. theta energy: -157.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1663.827369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.827369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.827369 (E_RNA)
where:
Base-Base interactions energy: -1117.088
where: short stacking energy: -499.238
Base-Backbone interact. energy: -1.039
local terms energy: -545.699622
where:
bonds (distance) C4'-P energy: -98.763
bonds (distance) P-C4' energy: -100.364
flat angles C4'-P-C4' energy: -126.226
flat angles P-C4'-P energy: -64.288
tors. eta vs tors. theta energy: -156.058
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: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1519.659805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.659805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.659805 (E_RNA)
where:
Base-Base interactions energy: -997.799
where: short stacking energy: -434.159
Base-Backbone interact. energy: 2.629
local terms energy: -524.490626
where:
bonds (distance) C4'-P energy: -109.882
bonds (distance) P-C4' energy: -112.491
flat angles C4'-P-C4' energy: -110.394
flat angles P-C4'-P energy: -77.395
tors. eta vs tors. theta energy: -114.328
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: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1408.441595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.441595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.441595 (E_RNA)
where:
Base-Base interactions energy: -947.070
where: short stacking energy: -417.068
Base-Backbone interact. energy: 0.457
local terms energy: -461.828581
where:
bonds (distance) C4'-P energy: -91.801
bonds (distance) P-C4' energy: -102.643
flat angles C4'-P-C4' energy: -105.989
flat angles P-C4'-P energy: -60.004
tors. eta vs tors. theta energy: -101.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1014.463388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.463388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.463388 (E_RNA)
where:
Base-Base interactions energy: -583.128
where: short stacking energy: -279.755
Base-Backbone interact. energy: -2.558
local terms energy: -428.777952
where:
bonds (distance) C4'-P energy: -110.547
bonds (distance) P-C4' energy: -103.131
flat angles C4'-P-C4' energy: -112.610
flat angles P-C4'-P energy: -65.268
tors. eta vs tors. theta energy: -37.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -682.083713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.083713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.083713 (E_RNA)
where:
Base-Base interactions energy: -331.116
where: short stacking energy: -178.985
Base-Backbone interact. energy: -0.072
local terms energy: -350.895361
where:
bonds (distance) C4'-P energy: -92.342
bonds (distance) P-C4' energy: -114.172
flat angles C4'-P-C4' energy: -72.209
flat angles P-C4'-P energy: -63.091
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -499.797772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.797772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.797772 (E_RNA)
where:
Base-Base interactions energy: -215.181
where: short stacking energy: -147.424
Base-Backbone interact. energy: 6.426
local terms energy: -291.043231
where:
bonds (distance) C4'-P energy: -86.479
bonds (distance) P-C4' energy: -91.914
flat angles C4'-P-C4' energy: -93.161
flat angles P-C4'-P energy: -35.251
tors. eta vs tors. theta energy: 15.763
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: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2068.512366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.512366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.512366 (E_RNA)
where:
Base-Base interactions energy: -1434.196
where: short stacking energy: -580.918
Base-Backbone interact. energy: -4.276
local terms energy: -630.039415
where:
bonds (distance) C4'-P energy: -114.509
bonds (distance) P-C4' energy: -122.255
flat angles C4'-P-C4' energy: -136.791
flat angles P-C4'-P energy: -89.914
tors. eta vs tors. theta energy: -166.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1972.424473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.424473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.424473 (E_RNA)
where:
Base-Base interactions energy: -1356.831
where: short stacking energy: -569.317
Base-Backbone interact. energy: 3.598
local terms energy: -619.192067
where:
bonds (distance) C4'-P energy: -107.035
bonds (distance) P-C4' energy: -131.511
flat angles C4'-P-C4' energy: -130.827
flat angles P-C4'-P energy: -84.916
tors. eta vs tors. theta energy: -164.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1887.893817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.893817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.893817 (E_RNA)
where:
Base-Base interactions energy: -1298.984
where: short stacking energy: -557.282
Base-Backbone interact. energy: -1.410
local terms energy: -587.499698
where:
bonds (distance) C4'-P energy: -104.182
bonds (distance) P-C4' energy: -110.394
flat angles C4'-P-C4' energy: -137.234
flat angles P-C4'-P energy: -75.047
tors. eta vs tors. theta energy: -160.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1774.630144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.630144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.630144 (E_RNA)
where:
Base-Base interactions energy: -1170.205
where: short stacking energy: -508.518
Base-Backbone interact. energy: -2.486
local terms energy: -601.939388
where:
bonds (distance) C4'-P energy: -121.155
bonds (distance) P-C4' energy: -109.714
flat angles C4'-P-C4' energy: -123.231
flat angles P-C4'-P energy: -80.175
tors. eta vs tors. theta energy: -167.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1718.088266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.088266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.088266 (E_RNA)
where:
Base-Base interactions energy: -1183.499
where: short stacking energy: -514.727
Base-Backbone interact. energy: 0.203
local terms energy: -534.792199
where:
bonds (distance) C4'-P energy: -98.649
bonds (distance) P-C4' energy: -96.803
flat angles C4'-P-C4' energy: -111.782
flat angles P-C4'-P energy: -73.297
tors. eta vs tors. theta energy: -154.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1555.619985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.619985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.619985 (E_RNA)
where:
Base-Base interactions energy: -1020.877
where: short stacking energy: -453.728
Base-Backbone interact. energy: 0.288
local terms energy: -535.031495
where:
bonds (distance) C4'-P energy: -121.825
bonds (distance) P-C4' energy: -90.539
flat angles C4'-P-C4' energy: -117.905
flat angles P-C4'-P energy: -73.519
tors. eta vs tors. theta energy: -131.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1402.764089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.764089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.764089 (E_RNA)
where:
Base-Base interactions energy: -916.878
where: short stacking energy: -398.196
Base-Backbone interact. energy: -1.767
local terms energy: -484.118703
where:
bonds (distance) C4'-P energy: -100.011
bonds (distance) P-C4' energy: -96.351
flat angles C4'-P-C4' energy: -99.283
flat angles P-C4'-P energy: -79.940
tors. eta vs tors. theta energy: -108.533
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: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -998.782395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.782395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.782395 (E_RNA)
where:
Base-Base interactions energy: -604.269
where: short stacking energy: -279.246
Base-Backbone interact. energy: -1.384
local terms energy: -393.128776
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -103.195
flat angles C4'-P-C4' energy: -84.816
flat angles P-C4'-P energy: -58.572
tors. eta vs tors. theta energy: -59.678
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: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -760.891284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.891284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.891284 (E_RNA)
where:
Base-Base interactions energy: -413.423
where: short stacking energy: -214.773
Base-Backbone interact. energy: -0.943
local terms energy: -346.524496
where:
bonds (distance) C4'-P energy: -79.018
bonds (distance) P-C4' energy: -109.608
flat angles C4'-P-C4' energy: -96.147
flat angles P-C4'-P energy: -51.646
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -483.434916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.434916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.434916 (E_RNA)
where:
Base-Base interactions energy: -162.422
where: short stacking energy: -121.916
Base-Backbone interact. energy: 0.766
local terms energy: -321.779050
where:
bonds (distance) C4'-P energy: -105.427
bonds (distance) P-C4' energy: -92.100
flat angles C4'-P-C4' energy: -101.208
flat angles P-C4'-P energy: -47.879
tors. eta vs tors. theta energy: 24.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2035.696552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.696552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.696552 (E_RNA)
where:
Base-Base interactions energy: -1455.480
where: short stacking energy: -580.479
Base-Backbone interact. energy: 0.588
local terms energy: -580.804867
where:
bonds (distance) C4'-P energy: -95.311
bonds (distance) P-C4' energy: -107.297
flat angles C4'-P-C4' energy: -129.029
flat angles P-C4'-P energy: -84.180
tors. eta vs tors. theta energy: -164.989
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: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1964.745003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.745003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.745003 (E_RNA)
where:
Base-Base interactions energy: -1365.624
where: short stacking energy: -547.013
Base-Backbone interact. energy: -3.179
local terms energy: -595.941494
where:
bonds (distance) C4'-P energy: -110.518
bonds (distance) P-C4' energy: -113.841
flat angles C4'-P-C4' energy: -134.503
flat angles P-C4'-P energy: -75.476
tors. eta vs tors. theta energy: -161.603
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: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1898.790899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.790899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.790899 (E_RNA)
where:
Base-Base interactions energy: -1294.942
where: short stacking energy: -567.429
Base-Backbone interact. energy: -4.657
local terms energy: -599.191813
where:
bonds (distance) C4'-P energy: -120.189
bonds (distance) P-C4' energy: -94.610
flat angles C4'-P-C4' energy: -141.123
flat angles P-C4'-P energy: -77.452
tors. eta vs tors. theta energy: -165.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1813.828991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.828991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.828991 (E_RNA)
where:
Base-Base interactions energy: -1216.616
where: short stacking energy: -534.350
Base-Backbone interact. energy: -0.999
local terms energy: -596.213613
where:
bonds (distance) C4'-P energy: -113.583
bonds (distance) P-C4' energy: -119.018
flat angles C4'-P-C4' energy: -129.805
flat angles P-C4'-P energy: -74.762
tors. eta vs tors. theta energy: -159.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1733.974959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.974959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.974959 (E_RNA)
where:
Base-Base interactions energy: -1179.094
where: short stacking energy: -511.371
Base-Backbone interact. energy: -2.063
local terms energy: -552.818395
where:
bonds (distance) C4'-P energy: -108.021
bonds (distance) P-C4' energy: -109.131
flat angles C4'-P-C4' energy: -114.552
flat angles P-C4'-P energy: -69.695
tors. eta vs tors. theta energy: -151.419
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: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1527.388952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.388952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.388952 (E_RNA)
where:
Base-Base interactions energy: -1043.653
where: short stacking energy: -439.844
Base-Backbone interact. energy: -0.016
local terms energy: -483.720122
where:
bonds (distance) C4'-P energy: -81.679
bonds (distance) P-C4' energy: -99.181
flat angles C4'-P-C4' energy: -117.119
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: -125.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1325.732853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.732853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.732853 (E_RNA)
where:
Base-Base interactions energy: -875.055
where: short stacking energy: -365.731
Base-Backbone interact. energy: -1.345
local terms energy: -449.333202
where:
bonds (distance) C4'-P energy: -81.312
bonds (distance) P-C4' energy: -110.646
flat angles C4'-P-C4' energy: -88.600
flat angles P-C4'-P energy: -78.725
tors. eta vs tors. theta energy: -90.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -997.446387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.446387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.446387 (E_RNA)
where:
Base-Base interactions energy: -597.965
where: short stacking energy: -291.132
Base-Backbone interact. energy: 1.550
local terms energy: -401.031135
where:
bonds (distance) C4'-P energy: -81.967
bonds (distance) P-C4' energy: -105.603
flat angles C4'-P-C4' energy: -100.879
flat angles P-C4'-P energy: -64.526
tors. eta vs tors. theta energy: -48.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -787.066464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.066464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.066464 (E_RNA)
where:
Base-Base interactions energy: -426.027
where: short stacking energy: -217.672
Base-Backbone interact. energy: 6.525
local terms energy: -367.564464
where:
bonds (distance) C4'-P energy: -94.129
bonds (distance) P-C4' energy: -102.713
flat angles C4'-P-C4' energy: -75.456
flat angles P-C4'-P energy: -56.382
tors. eta vs tors. theta energy: -38.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -448.554010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.554010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.554010 (E_RNA)
where:
Base-Base interactions energy: -163.705
where: short stacking energy: -135.694
Base-Backbone interact. energy: 4.063
local terms energy: -288.912180
where:
bonds (distance) C4'-P energy: -78.323
bonds (distance) P-C4' energy: -108.528
flat angles C4'-P-C4' energy: -73.554
flat angles P-C4'-P energy: -38.810
tors. eta vs tors. theta energy: 10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2068.048899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.048899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.048899 (E_RNA)
where:
Base-Base interactions energy: -1428.308
where: short stacking energy: -581.950
Base-Backbone interact. energy: -7.031
local terms energy: -632.710067
where:
bonds (distance) C4'-P energy: -123.763
bonds (distance) P-C4' energy: -117.522
flat angles C4'-P-C4' energy: -132.986
flat angles P-C4'-P energy: -96.780
tors. eta vs tors. theta energy: -161.659
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: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1992.802602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.802602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.802602 (E_RNA)
where:
Base-Base interactions energy: -1382.679
where: short stacking energy: -581.806
Base-Backbone interact. energy: -3.358
local terms energy: -606.765549
where:
bonds (distance) C4'-P energy: -124.815
bonds (distance) P-C4' energy: -111.946
flat angles C4'-P-C4' energy: -131.558
flat angles P-C4'-P energy: -77.866
tors. eta vs tors. theta energy: -160.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1881.185254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.185254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.185254 (E_RNA)
where:
Base-Base interactions energy: -1286.803
where: short stacking energy: -547.011
Base-Backbone interact. energy: -2.982
local terms energy: -591.400913
where:
bonds (distance) C4'-P energy: -114.594
bonds (distance) P-C4' energy: -112.663
flat angles C4'-P-C4' energy: -129.904
flat angles P-C4'-P energy: -76.408
tors. eta vs tors. theta energy: -157.832
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: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1755.675423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.675423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.675423 (E_RNA)
where:
Base-Base interactions energy: -1160.255
where: short stacking energy: -512.400
Base-Backbone interact. energy: 5.626
local terms energy: -601.046052
where:
bonds (distance) C4'-P energy: -108.819
bonds (distance) P-C4' energy: -123.989
flat angles C4'-P-C4' energy: -121.258
flat angles P-C4'-P energy: -88.029
tors. eta vs tors. theta energy: -158.951
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: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1708.918058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.918058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.918058 (E_RNA)
where:
Base-Base interactions energy: -1160.506
where: short stacking energy: -511.660
Base-Backbone interact. energy: -2.262
local terms energy: -546.149887
where:
bonds (distance) C4'-P energy: -110.455
bonds (distance) P-C4' energy: -100.137
flat angles C4'-P-C4' energy: -121.473
flat angles P-C4'-P energy: -59.775
tors. eta vs tors. theta energy: -154.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1552.146403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.146403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.146403 (E_RNA)
where:
Base-Base interactions energy: -1031.385
where: short stacking energy: -444.610
Base-Backbone interact. energy: -2.676
local terms energy: -518.084743
where:
bonds (distance) C4'-P energy: -95.439
bonds (distance) P-C4' energy: -109.224
flat angles C4'-P-C4' energy: -110.115
flat angles P-C4'-P energy: -71.689
tors. eta vs tors. theta energy: -131.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1333.708491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.708491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.708491 (E_RNA)
where:
Base-Base interactions energy: -871.248
where: short stacking energy: -409.076
Base-Backbone interact. energy: 5.912
local terms energy: -468.372435
where:
bonds (distance) C4'-P energy: -109.969
bonds (distance) P-C4' energy: -97.150
flat angles C4'-P-C4' energy: -110.608
flat angles P-C4'-P energy: -50.093
tors. eta vs tors. theta energy: -100.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1010.784685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.784685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.784685 (E_RNA)
where:
Base-Base interactions energy: -563.470
where: short stacking energy: -279.328
Base-Backbone interact. energy: -0.022
local terms energy: -447.292059
where:
bonds (distance) C4'-P energy: -95.632
bonds (distance) P-C4' energy: -128.297
flat angles C4'-P-C4' energy: -111.179
flat angles P-C4'-P energy: -59.894
tors. eta vs tors. theta energy: -52.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -766.306141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.306141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.306141 (E_RNA)
where:
Base-Base interactions energy: -438.612
where: short stacking energy: -228.964
Base-Backbone interact. energy: 0.947
local terms energy: -328.641121
where:
bonds (distance) C4'-P energy: -98.381
bonds (distance) P-C4' energy: -87.804
flat angles C4'-P-C4' energy: -78.453
flat angles P-C4'-P energy: -49.542
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -469.030871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.030871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.030871 (E_RNA)
where:
Base-Base interactions energy: -159.579
where: short stacking energy: -121.267
Base-Backbone interact. energy: -0.448
local terms energy: -309.003637
where:
bonds (distance) C4'-P energy: -92.463
bonds (distance) P-C4' energy: -96.102
flat angles C4'-P-C4' energy: -80.811
flat angles P-C4'-P energy: -56.275
tors. eta vs tors. theta energy: 16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2105.551149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.551149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.551149 (E_RNA)
where:
Base-Base interactions energy: -1459.948
where: short stacking energy: -598.519
Base-Backbone interact. energy: 1.969
local terms energy: -647.571973
where:
bonds (distance) C4'-P energy: -115.967
bonds (distance) P-C4' energy: -118.883
flat angles C4'-P-C4' energy: -141.937
flat angles P-C4'-P energy: -94.944
tors. eta vs tors. theta energy: -175.841
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: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1977.600890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.600890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.600890 (E_RNA)
where:
Base-Base interactions energy: -1359.666
where: short stacking energy: -581.179
Base-Backbone interact. energy: -2.150
local terms energy: -615.785397
where:
bonds (distance) C4'-P energy: -116.360
bonds (distance) P-C4' energy: -124.866
flat angles C4'-P-C4' energy: -130.408
flat angles P-C4'-P energy: -73.807
tors. eta vs tors. theta energy: -170.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1867.927134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.927134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.927134 (E_RNA)
where:
Base-Base interactions energy: -1296.505
where: short stacking energy: -525.016
Base-Backbone interact. energy: -4.058
local terms energy: -567.364057
where:
bonds (distance) C4'-P energy: -112.804
bonds (distance) P-C4' energy: -111.314
flat angles C4'-P-C4' energy: -120.140
flat angles P-C4'-P energy: -81.709
tors. eta vs tors. theta energy: -141.397
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: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1765.133563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.133563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.133563 (E_RNA)
where:
Base-Base interactions energy: -1197.073
where: short stacking energy: -535.697
Base-Backbone interact. energy: -1.771
local terms energy: -566.289484
where:
bonds (distance) C4'-P energy: -110.398
bonds (distance) P-C4' energy: -105.497
flat angles C4'-P-C4' energy: -120.832
flat angles P-C4'-P energy: -66.362
tors. eta vs tors. theta energy: -163.201
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: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1723.034346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.034346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.034346 (E_RNA)
where:
Base-Base interactions energy: -1143.705
where: short stacking energy: -477.384
Base-Backbone interact. energy: -2.771
local terms energy: -576.557808
where:
bonds (distance) C4'-P energy: -101.506
bonds (distance) P-C4' energy: -111.685
flat angles C4'-P-C4' energy: -137.574
flat angles P-C4'-P energy: -83.107
tors. eta vs tors. theta energy: -142.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1467.754986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.754986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.754986 (E_RNA)
where:
Base-Base interactions energy: -972.651
where: short stacking energy: -412.449
Base-Backbone interact. energy: -0.156
local terms energy: -494.948199
where:
bonds (distance) C4'-P energy: -104.932
bonds (distance) P-C4' energy: -106.492
flat angles C4'-P-C4' energy: -104.162
flat angles P-C4'-P energy: -74.511
tors. eta vs tors. theta energy: -104.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1311.992182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.992182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.992182 (E_RNA)
where:
Base-Base interactions energy: -834.498
where: short stacking energy: -372.980
Base-Backbone interact. energy: -1.406
local terms energy: -476.088390
where:
bonds (distance) C4'-P energy: -97.738
bonds (distance) P-C4' energy: -93.757
flat angles C4'-P-C4' energy: -111.309
flat angles P-C4'-P energy: -87.451
tors. eta vs tors. theta energy: -85.833
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: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -952.823599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.823599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.823599 (E_RNA)
where:
Base-Base interactions energy: -550.314
where: short stacking energy: -277.165
Base-Backbone interact. energy: 3.349
local terms energy: -405.858743
where:
bonds (distance) C4'-P energy: -108.972
bonds (distance) P-C4' energy: -97.406
flat angles C4'-P-C4' energy: -87.656
flat angles P-C4'-P energy: -63.215
tors. eta vs tors. theta energy: -48.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -720.151710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.151710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.151710 (E_RNA)
where:
Base-Base interactions energy: -393.039
where: short stacking energy: -211.589
Base-Backbone interact. energy: 1.834
local terms energy: -328.946283
where:
bonds (distance) C4'-P energy: -80.275
bonds (distance) P-C4' energy: -98.922
flat angles C4'-P-C4' energy: -81.248
flat angles P-C4'-P energy: -53.355
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -452.889083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.889083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.889083 (E_RNA)
where:
Base-Base interactions energy: -196.208
where: short stacking energy: -129.664
Base-Backbone interact. energy: -0.562
local terms energy: -256.119273
where:
bonds (distance) C4'-P energy: -78.555
bonds (distance) P-C4' energy: -95.036
flat angles C4'-P-C4' energy: -69.105
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: 27.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2072.775106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.775106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.775106 (E_RNA)
where:
Base-Base interactions energy: -1437.702
where: short stacking energy: -578.911
Base-Backbone interact. energy: 0.818
local terms energy: -635.891223
where:
bonds (distance) C4'-P energy: -126.554
bonds (distance) P-C4' energy: -129.702
flat angles C4'-P-C4' energy: -132.977
flat angles P-C4'-P energy: -83.065
tors. eta vs tors. theta energy: -163.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1983.210010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.210010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.210010 (E_RNA)
where:
Base-Base interactions energy: -1358.176
where: short stacking energy: -573.105
Base-Backbone interact. energy: -2.109
local terms energy: -622.925169
where:
bonds (distance) C4'-P energy: -111.736
bonds (distance) P-C4' energy: -119.309
flat angles C4'-P-C4' energy: -132.316
flat angles P-C4'-P energy: -86.411
tors. eta vs tors. theta energy: -173.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1870.985600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.985600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.985600 (E_RNA)
where:
Base-Base interactions energy: -1297.748
where: short stacking energy: -524.645
Base-Backbone interact. energy: 0.290
local terms energy: -573.527041
where:
bonds (distance) C4'-P energy: -100.330
bonds (distance) P-C4' energy: -122.800
flat angles C4'-P-C4' energy: -119.455
flat angles P-C4'-P energy: -79.930
tors. eta vs tors. theta energy: -151.012
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: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1747.127622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.127622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.127622 (E_RNA)
where:
Base-Base interactions energy: -1187.796
where: short stacking energy: -523.640
Base-Backbone interact. energy: -1.116
local terms energy: -558.215279
where:
bonds (distance) C4'-P energy: -114.590
bonds (distance) P-C4' energy: -98.936
flat angles C4'-P-C4' energy: -122.548
flat angles P-C4'-P energy: -69.078
tors. eta vs tors. theta energy: -153.063
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: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1747.979480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.979480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.979480 (E_RNA)
where:
Base-Base interactions energy: -1185.466
where: short stacking energy: -509.026
Base-Backbone interact. energy: -2.593
local terms energy: -559.920586
where:
bonds (distance) C4'-P energy: -96.232
bonds (distance) P-C4' energy: -110.306
flat angles C4'-P-C4' energy: -123.899
flat angles P-C4'-P energy: -74.427
tors. eta vs tors. theta energy: -155.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1528.065696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.065696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.065696 (E_RNA)
where:
Base-Base interactions energy: -1009.730
where: short stacking energy: -445.559
Base-Backbone interact. energy: -0.681
local terms energy: -517.654743
where:
bonds (distance) C4'-P energy: -104.427
bonds (distance) P-C4' energy: -106.004
flat angles C4'-P-C4' energy: -116.099
flat angles P-C4'-P energy: -83.673
tors. eta vs tors. theta energy: -107.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1365.644958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.644958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.644958 (E_RNA)
where:
Base-Base interactions energy: -893.898
where: short stacking energy: -404.339
Base-Backbone interact. energy: -1.471
local terms energy: -470.275572
where:
bonds (distance) C4'-P energy: -103.721
bonds (distance) P-C4' energy: -99.023
flat angles C4'-P-C4' energy: -108.547
flat angles P-C4'-P energy: -77.532
tors. eta vs tors. theta energy: -81.453
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: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -915.574825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.574825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.574825 (E_RNA)
where:
Base-Base interactions energy: -520.145
where: short stacking energy: -261.993
Base-Backbone interact. energy: 3.214
local terms energy: -398.643355
where:
bonds (distance) C4'-P energy: -91.552
bonds (distance) P-C4' energy: -110.965
flat angles C4'-P-C4' energy: -72.004
flat angles P-C4'-P energy: -60.592
tors. eta vs tors. theta energy: -63.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -735.131331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.131331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.131331 (E_RNA)
where:
Base-Base interactions energy: -366.706
where: short stacking energy: -193.162
Base-Backbone interact. energy: 4.158
local terms energy: -372.583953
where:
bonds (distance) C4'-P energy: -110.450
bonds (distance) P-C4' energy: -103.512
flat angles C4'-P-C4' energy: -90.424
flat angles P-C4'-P energy: -67.519
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -459.876444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.876444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.876444 (E_RNA)
where:
Base-Base interactions energy: -153.543
where: short stacking energy: -115.662
Base-Backbone interact. energy: -0.881
local terms energy: -305.452461
where:
bonds (distance) C4'-P energy: -95.532
bonds (distance) P-C4' energy: -117.831
flat angles C4'-P-C4' energy: -79.133
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: 14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2062.588920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.588920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.588920 (E_RNA)
where:
Base-Base interactions energy: -1434.132
where: short stacking energy: -582.881
Base-Backbone interact. energy: -5.083
local terms energy: -623.374308
where:
bonds (distance) C4'-P energy: -109.887
bonds (distance) P-C4' energy: -122.745
flat angles C4'-P-C4' energy: -135.208
flat angles P-C4'-P energy: -92.565
tors. eta vs tors. theta energy: -162.970
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: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1983.201361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.201361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.201361 (E_RNA)
where:
Base-Base interactions energy: -1373.486
where: short stacking energy: -579.953
Base-Backbone interact. energy: -0.752
local terms energy: -608.963395
where:
bonds (distance) C4'-P energy: -108.783
bonds (distance) P-C4' energy: -120.430
flat angles C4'-P-C4' energy: -124.842
flat angles P-C4'-P energy: -82.814
tors. eta vs tors. theta energy: -172.093
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: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1845.902956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.902956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.902956 (E_RNA)
where:
Base-Base interactions energy: -1300.083
where: short stacking energy: -550.231
Base-Backbone interact. energy: -1.371
local terms energy: -544.449050
where:
bonds (distance) C4'-P energy: -89.282
bonds (distance) P-C4' energy: -103.189
flat angles C4'-P-C4' energy: -121.271
flat angles P-C4'-P energy: -77.944
tors. eta vs tors. theta energy: -152.762
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: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1794.496169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.496169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.496169 (E_RNA)
where:
Base-Base interactions energy: -1215.216
where: short stacking energy: -522.399
Base-Backbone interact. energy: 1.455
local terms energy: -580.735675
where:
bonds (distance) C4'-P energy: -109.223
bonds (distance) P-C4' energy: -128.585
flat angles C4'-P-C4' energy: -113.630
flat angles P-C4'-P energy: -74.451
tors. eta vs tors. theta energy: -154.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1710.317903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.317903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.317903 (E_RNA)
where:
Base-Base interactions energy: -1166.504
where: short stacking energy: -478.197
Base-Backbone interact. energy: -3.916
local terms energy: -539.898235
where:
bonds (distance) C4'-P energy: -114.966
bonds (distance) P-C4' energy: -103.501
flat angles C4'-P-C4' energy: -111.972
flat angles P-C4'-P energy: -66.941
tors. eta vs tors. theta energy: -142.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1509.029581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.029581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.029581 (E_RNA)
where:
Base-Base interactions energy: -1007.458
where: short stacking energy: -433.856
Base-Backbone interact. energy: 1.073
local terms energy: -502.644437
where:
bonds (distance) C4'-P energy: -78.905
bonds (distance) P-C4' energy: -114.991
flat angles C4'-P-C4' energy: -119.795
flat angles P-C4'-P energy: -66.109
tors. eta vs tors. theta energy: -122.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1395.309800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.309800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.309800 (E_RNA)
where:
Base-Base interactions energy: -916.064
where: short stacking energy: -409.462
Base-Backbone interact. energy: -1.810
local terms energy: -477.435535
where:
bonds (distance) C4'-P energy: -94.006
bonds (distance) P-C4' energy: -106.824
flat angles C4'-P-C4' energy: -106.498
flat angles P-C4'-P energy: -70.250
tors. eta vs tors. theta energy: -99.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -929.987374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.987374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.987374 (E_RNA)
where:
Base-Base interactions energy: -533.561
where: short stacking energy: -274.885
Base-Backbone interact. energy: 1.904
local terms energy: -398.330179
where:
bonds (distance) C4'-P energy: -82.406
bonds (distance) P-C4' energy: -106.069
flat angles C4'-P-C4' energy: -86.315
flat angles P-C4'-P energy: -62.890
tors. eta vs tors. theta energy: -60.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -739.227461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.227461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.227461 (E_RNA)
where:
Base-Base interactions energy: -405.927
where: short stacking energy: -218.734
Base-Backbone interact. energy: 2.726
local terms energy: -336.025897
where:
bonds (distance) C4'-P energy: -94.597
bonds (distance) P-C4' energy: -100.487
flat angles C4'-P-C4' energy: -97.729
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -446.649624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.649624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.649624 (E_RNA)
where:
Base-Base interactions energy: -144.118
where: short stacking energy: -118.392
Base-Backbone interact. energy: 0.217
local terms energy: -302.748605
where:
bonds (distance) C4'-P energy: -79.862
bonds (distance) P-C4' energy: -98.360
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -62.844
tors. eta vs tors. theta energy: 29.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2052.868243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.868243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.868243 (E_RNA)
where:
Base-Base interactions energy: -1438.322
where: short stacking energy: -595.393
Base-Backbone interact. energy: -4.289
local terms energy: -610.257193
where:
bonds (distance) C4'-P energy: -110.902
bonds (distance) P-C4' energy: -103.001
flat angles C4'-P-C4' energy: -136.887
flat angles P-C4'-P energy: -88.762
tors. eta vs tors. theta energy: -170.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2000.547454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.547454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.547454 (E_RNA)
where:
Base-Base interactions energy: -1379.960
where: short stacking energy: -565.536
Base-Backbone interact. energy: -1.046
local terms energy: -619.541201
where:
bonds (distance) C4'-P energy: -121.403
bonds (distance) P-C4' energy: -116.704
flat angles C4'-P-C4' energy: -126.738
flat angles P-C4'-P energy: -88.662
tors. eta vs tors. theta energy: -166.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1863.305972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.305972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.305972 (E_RNA)
where:
Base-Base interactions energy: -1299.102
where: short stacking energy: -524.133
Base-Backbone interact. energy: -1.550
local terms energy: -562.653662
where:
bonds (distance) C4'-P energy: -107.205
bonds (distance) P-C4' energy: -102.825
flat angles C4'-P-C4' energy: -132.858
flat angles P-C4'-P energy: -78.766
tors. eta vs tors. theta energy: -141.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1755.026598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.026598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.026598 (E_RNA)
where:
Base-Base interactions energy: -1186.379
where: short stacking energy: -491.811
Base-Backbone interact. energy: 2.333
local terms energy: -570.980164
where:
bonds (distance) C4'-P energy: -114.560
bonds (distance) P-C4' energy: -104.224
flat angles C4'-P-C4' energy: -123.989
flat angles P-C4'-P energy: -77.156
tors. eta vs tors. theta energy: -151.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1670.058217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.058217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.058217 (E_RNA)
where:
Base-Base interactions energy: -1134.171
where: short stacking energy: -485.115
Base-Backbone interact. energy: -2.740
local terms energy: -533.147204
where:
bonds (distance) C4'-P energy: -112.698
bonds (distance) P-C4' energy: -109.992
flat angles C4'-P-C4' energy: -113.216
flat angles P-C4'-P energy: -58.309
tors. eta vs tors. theta energy: -138.932
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: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1520.437304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.437304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.437304 (E_RNA)
where:
Base-Base interactions energy: -1026.869
where: short stacking energy: -428.526
Base-Backbone interact. energy: 0.386
local terms energy: -493.954486
where:
bonds (distance) C4'-P energy: -102.414
bonds (distance) P-C4' energy: -109.932
flat angles C4'-P-C4' energy: -96.141
flat angles P-C4'-P energy: -74.022
tors. eta vs tors. theta energy: -111.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1368.093059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.093059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.093059 (E_RNA)
where:
Base-Base interactions energy: -891.835
where: short stacking energy: -393.380
Base-Backbone interact. energy: 3.704
local terms energy: -479.961555
where:
bonds (distance) C4'-P energy: -104.608
bonds (distance) P-C4' energy: -108.835
flat angles C4'-P-C4' energy: -106.540
flat angles P-C4'-P energy: -68.831
tors. eta vs tors. theta energy: -91.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -887.590781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.590781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.590781 (E_RNA)
where:
Base-Base interactions energy: -515.620
where: short stacking energy: -249.216
Base-Backbone interact. energy: 0.317
local terms energy: -372.287504
where:
bonds (distance) C4'-P energy: -82.805
bonds (distance) P-C4' energy: -102.165
flat angles C4'-P-C4' energy: -93.096
flat angles P-C4'-P energy: -66.043
tors. eta vs tors. theta energy: -28.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -769.647909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.647909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.647909 (E_RNA)
where:
Base-Base interactions energy: -402.730
where: short stacking energy: -226.772
Base-Backbone interact. energy: 0.019
local terms energy: -366.937759
where:
bonds (distance) C4'-P energy: -117.178
bonds (distance) P-C4' energy: -104.160
flat angles C4'-P-C4' energy: -74.237
flat angles P-C4'-P energy: -51.272
tors. eta vs tors. theta energy: -20.092
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: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -486.584705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.584705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.584705 (E_RNA)
where:
Base-Base interactions energy: -172.707
where: short stacking energy: -136.383
Base-Backbone interact. energy: 5.443
local terms energy: -319.320172
where:
bonds (distance) C4'-P energy: -103.404
bonds (distance) P-C4' energy: -92.170
flat angles C4'-P-C4' energy: -80.642
flat angles P-C4'-P energy: -51.624
tors. eta vs tors. theta energy: 8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2048.849361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.849361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.849361 (E_RNA)
where:
Base-Base interactions energy: -1436.403
where: short stacking energy: -593.482
Base-Backbone interact. energy: 2.404
local terms energy: -614.849834
where:
bonds (distance) C4'-P energy: -114.812
bonds (distance) P-C4' energy: -106.112
flat angles C4'-P-C4' energy: -141.123
flat angles P-C4'-P energy: -83.429
tors. eta vs tors. theta energy: -169.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2004.594315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.594315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.594315 (E_RNA)
where:
Base-Base interactions energy: -1371.382
where: short stacking energy: -564.665
Base-Backbone interact. energy: -1.984
local terms energy: -631.228655
where:
bonds (distance) C4'-P energy: -117.088
bonds (distance) P-C4' energy: -119.045
flat angles C4'-P-C4' energy: -126.927
flat angles P-C4'-P energy: -93.885
tors. eta vs tors. theta energy: -174.284
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: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1860.812567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.812567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.812567 (E_RNA)
where:
Base-Base interactions energy: -1278.170
where: short stacking energy: -529.267
Base-Backbone interact. energy: -2.845
local terms energy: -579.798058
where:
bonds (distance) C4'-P energy: -118.564
bonds (distance) P-C4' energy: -97.605
flat angles C4'-P-C4' energy: -139.519
flat angles P-C4'-P energy: -72.185
tors. eta vs tors. theta energy: -151.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1793.405309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.405309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.405309 (E_RNA)
where:
Base-Base interactions energy: -1195.018
where: short stacking energy: -536.255
Base-Backbone interact. energy: -1.473
local terms energy: -596.914335
where:
bonds (distance) C4'-P energy: -110.801
bonds (distance) P-C4' energy: -117.294
flat angles C4'-P-C4' energy: -125.144
flat angles P-C4'-P energy: -82.777
tors. eta vs tors. theta energy: -160.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1631.998287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.998287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.998287 (E_RNA)
where:
Base-Base interactions energy: -1070.073
where: short stacking energy: -469.482
Base-Backbone interact. energy: -0.299
local terms energy: -561.626767
where:
bonds (distance) C4'-P energy: -108.560
bonds (distance) P-C4' energy: -105.099
flat angles C4'-P-C4' energy: -132.261
flat angles P-C4'-P energy: -86.492
tors. eta vs tors. theta energy: -129.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1549.247145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.247145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.247145 (E_RNA)
where:
Base-Base interactions energy: -1044.787
where: short stacking energy: -427.290
Base-Backbone interact. energy: 1.010
local terms energy: -505.469801
where:
bonds (distance) C4'-P energy: -97.256
bonds (distance) P-C4' energy: -89.721
flat angles C4'-P-C4' energy: -128.151
flat angles P-C4'-P energy: -73.800
tors. eta vs tors. theta energy: -116.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1321.581260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.581260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.581260 (E_RNA)
where:
Base-Base interactions energy: -860.445
where: short stacking energy: -380.085
Base-Backbone interact. energy: -1.731
local terms energy: -459.404864
where:
bonds (distance) C4'-P energy: -98.469
bonds (distance) P-C4' energy: -92.926
flat angles C4'-P-C4' energy: -110.464
flat angles P-C4'-P energy: -70.786
tors. eta vs tors. theta energy: -86.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -804.899329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.899329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.899329 (E_RNA)
where:
Base-Base interactions energy: -439.084
where: short stacking energy: -205.175
Base-Backbone interact. energy: -2.454
local terms energy: -363.361282
where:
bonds (distance) C4'-P energy: -100.750
bonds (distance) P-C4' energy: -109.682
flat angles C4'-P-C4' energy: -86.076
flat angles P-C4'-P energy: -49.987
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -796.973888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.973888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.973888 (E_RNA)
where:
Base-Base interactions energy: -444.946
where: short stacking energy: -229.251
Base-Backbone interact. energy: -1.577
local terms energy: -350.450259
where:
bonds (distance) C4'-P energy: -77.039
bonds (distance) P-C4' energy: -76.349
flat angles C4'-P-C4' energy: -112.334
flat angles P-C4'-P energy: -65.665
tors. eta vs tors. theta energy: -19.064
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: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -471.362627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.362627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.362627 (E_RNA)
where:
Base-Base interactions energy: -156.339
where: short stacking energy: -140.828
Base-Backbone interact. energy: 1.010
local terms energy: -316.033649
where:
bonds (distance) C4'-P energy: -80.515
bonds (distance) P-C4' energy: -106.249
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -63.024
tors. eta vs tors. theta energy: 14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2077.150638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.150638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.150638 (E_RNA)
where:
Base-Base interactions energy: -1428.019
where: short stacking energy: -588.592
Base-Backbone interact. energy: -1.495
local terms energy: -647.637451
where:
bonds (distance) C4'-P energy: -136.225
bonds (distance) P-C4' energy: -112.586
flat angles C4'-P-C4' energy: -125.910
flat angles P-C4'-P energy: -93.217
tors. eta vs tors. theta energy: -179.700
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: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1961.406943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.406943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.406943 (E_RNA)
where:
Base-Base interactions energy: -1345.156
where: short stacking energy: -556.325
Base-Backbone interact. energy: -1.533
local terms energy: -614.718219
where:
bonds (distance) C4'-P energy: -118.118
bonds (distance) P-C4' energy: -121.489
flat angles C4'-P-C4' energy: -133.376
flat angles P-C4'-P energy: -77.885
tors. eta vs tors. theta energy: -163.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1834.060570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.060570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.060570 (E_RNA)
where:
Base-Base interactions energy: -1281.317
where: short stacking energy: -506.536
Base-Backbone interact. energy: -3.498
local terms energy: -549.245797
where:
bonds (distance) C4'-P energy: -112.122
bonds (distance) P-C4' energy: -105.134
flat angles C4'-P-C4' energy: -121.443
flat angles P-C4'-P energy: -78.033
tors. eta vs tors. theta energy: -132.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1763.034849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.034849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.034849 (E_RNA)
where:
Base-Base interactions energy: -1216.099
where: short stacking energy: -525.503
Base-Backbone interact. energy: -2.152
local terms energy: -544.784111
where:
bonds (distance) C4'-P energy: -91.173
bonds (distance) P-C4' energy: -112.121
flat angles C4'-P-C4' energy: -118.703
flat angles P-C4'-P energy: -77.865
tors. eta vs tors. theta energy: -144.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1578.597644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.597644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.597644 (E_RNA)
where:
Base-Base interactions energy: -1057.942
where: short stacking energy: -425.493
Base-Backbone interact. energy: -1.302
local terms energy: -519.354000
where:
bonds (distance) C4'-P energy: -104.323
bonds (distance) P-C4' energy: -123.166
flat angles C4'-P-C4' energy: -118.937
flat angles P-C4'-P energy: -64.939
tors. eta vs tors. theta energy: -107.989
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: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1573.633364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.633364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.633364 (E_RNA)
where:
Base-Base interactions energy: -1052.018
where: short stacking energy: -437.683
Base-Backbone interact. energy: -2.529
local terms energy: -519.086084
where:
bonds (distance) C4'-P energy: -98.582
bonds (distance) P-C4' energy: -111.016
flat angles C4'-P-C4' energy: -127.230
flat angles P-C4'-P energy: -75.459
tors. eta vs tors. theta energy: -106.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1313.261051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.261051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.261051 (E_RNA)
where:
Base-Base interactions energy: -853.205
where: short stacking energy: -389.952
Base-Backbone interact. energy: 0.133
local terms energy: -460.189058
where:
bonds (distance) C4'-P energy: -112.111
bonds (distance) P-C4' energy: -106.351
flat angles C4'-P-C4' energy: -95.892
flat angles P-C4'-P energy: -63.048
tors. eta vs tors. theta energy: -82.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -821.892422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.892422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.892422 (E_RNA)
where:
Base-Base interactions energy: -464.667
where: short stacking energy: -229.063
Base-Backbone interact. energy: 1.538
local terms energy: -358.763885
where:
bonds (distance) C4'-P energy: -93.711
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -93.291
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -27.145
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: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -840.101571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.101571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.101571 (E_RNA)
where:
Base-Base interactions energy: -479.025
where: short stacking energy: -252.794
Base-Backbone interact. energy: 1.738
local terms energy: -362.815044
where:
bonds (distance) C4'-P energy: -93.797
bonds (distance) P-C4' energy: -99.633
flat angles C4'-P-C4' energy: -82.194
flat angles P-C4'-P energy: -58.697
tors. eta vs tors. theta energy: -28.495
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: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -482.640185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.640185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.640185 (E_RNA)
where:
Base-Base interactions energy: -209.251
where: short stacking energy: -153.553
Base-Backbone interact. energy: 3.822
local terms energy: -277.211093
where:
bonds (distance) C4'-P energy: -83.992
bonds (distance) P-C4' energy: -82.991
flat angles C4'-P-C4' energy: -96.655
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: 16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2099.326049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.326049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.326049 (E_RNA)
where:
Base-Base interactions energy: -1464.818
where: short stacking energy: -616.934
Base-Backbone interact. energy: -1.649
local terms energy: -632.859336
where:
bonds (distance) C4'-P energy: -110.481
bonds (distance) P-C4' energy: -118.167
flat angles C4'-P-C4' energy: -136.730
flat angles P-C4'-P energy: -89.694
tors. eta vs tors. theta energy: -177.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1964.098674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.098674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.098674 (E_RNA)
where:
Base-Base interactions energy: -1367.333
where: short stacking energy: -573.399
Base-Backbone interact. energy: 0.819
local terms energy: -597.585080
where:
bonds (distance) C4'-P energy: -110.950
bonds (distance) P-C4' energy: -112.102
flat angles C4'-P-C4' energy: -121.492
flat angles P-C4'-P energy: -90.250
tors. eta vs tors. theta energy: -162.791
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: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1837.872609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.872609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.872609 (E_RNA)
where:
Base-Base interactions energy: -1259.899
where: short stacking energy: -530.272
Base-Backbone interact. energy: -2.048
local terms energy: -575.925590
where:
bonds (distance) C4'-P energy: -107.902
bonds (distance) P-C4' energy: -108.861
flat angles C4'-P-C4' energy: -127.471
flat angles P-C4'-P energy: -81.296
tors. eta vs tors. theta energy: -150.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1754.742177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.742177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.742177 (E_RNA)
where:
Base-Base interactions energy: -1185.282
where: short stacking energy: -536.097
Base-Backbone interact. energy: -2.572
local terms energy: -566.888085
where:
bonds (distance) C4'-P energy: -93.383
bonds (distance) P-C4' energy: -112.710
flat angles C4'-P-C4' energy: -121.300
flat angles P-C4'-P energy: -83.519
tors. eta vs tors. theta energy: -155.976
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: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1601.338360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.338360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.338360 (E_RNA)
where:
Base-Base interactions energy: -1076.805
where: short stacking energy: -462.991
Base-Backbone interact. energy: 1.614
local terms energy: -526.148085
where:
bonds (distance) C4'-P energy: -103.103
bonds (distance) P-C4' energy: -100.124
flat angles C4'-P-C4' energy: -125.916
flat angles P-C4'-P energy: -74.580
tors. eta vs tors. theta energy: -122.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1581.703906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.703906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.703906 (E_RNA)
where:
Base-Base interactions energy: -1084.652
where: short stacking energy: -457.965
Base-Backbone interact. energy: 4.905
local terms energy: -501.957351
where:
bonds (distance) C4'-P energy: -100.848
bonds (distance) P-C4' energy: -100.892
flat angles C4'-P-C4' energy: -113.208
flat angles P-C4'-P energy: -72.762
tors. eta vs tors. theta energy: -114.247
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: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1351.726415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.726415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.726415 (E_RNA)
where:
Base-Base interactions energy: -892.748
where: short stacking energy: -394.707
Base-Backbone interact. energy: -0.696
local terms energy: -458.283018
where:
bonds (distance) C4'-P energy: -95.121
bonds (distance) P-C4' energy: -86.694
flat angles C4'-P-C4' energy: -109.404
flat angles P-C4'-P energy: -78.513
tors. eta vs tors. theta energy: -88.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -861.654234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.654234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.654234 (E_RNA)
where:
Base-Base interactions energy: -468.227
where: short stacking energy: -234.962
Base-Backbone interact. energy: 0.139
local terms energy: -393.565953
where:
bonds (distance) C4'-P energy: -103.719
bonds (distance) P-C4' energy: -111.397
flat angles C4'-P-C4' energy: -103.256
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: -39.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -831.748589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.748589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.748589 (E_RNA)
where:
Base-Base interactions energy: -459.335
where: short stacking energy: -255.187
Base-Backbone interact. energy: -0.080
local terms energy: -372.333665
where:
bonds (distance) C4'-P energy: -96.053
bonds (distance) P-C4' energy: -93.018
flat angles C4'-P-C4' energy: -89.307
flat angles P-C4'-P energy: -52.747
tors. eta vs tors. theta energy: -41.208
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: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -478.687581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.687581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.687581 (E_RNA)
where:
Base-Base interactions energy: -162.005
where: short stacking energy: -138.544
Base-Backbone interact. energy: 1.487
local terms energy: -318.169928
where:
bonds (distance) C4'-P energy: -98.765
bonds (distance) P-C4' energy: -100.976
flat angles C4'-P-C4' energy: -90.380
flat angles P-C4'-P energy: -42.872
tors. eta vs tors. theta energy: 14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2083.951942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.951942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.951942 (E_RNA)
where:
Base-Base interactions energy: -1462.741
where: short stacking energy: -596.900
Base-Backbone interact. energy: -2.904
local terms energy: -618.306718
where:
bonds (distance) C4'-P energy: -116.619
bonds (distance) P-C4' energy: -111.939
flat angles C4'-P-C4' energy: -138.441
flat angles P-C4'-P energy: -81.843
tors. eta vs tors. theta energy: -169.465
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: 286
Temperature: 0.950000
Total energy: -1970.452821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.452821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.452821 (E_RNA)
where:
Base-Base interactions energy: -1346.871
where: short stacking energy: -547.911
Base-Backbone interact. energy: -4.089
local terms energy: -619.492957
where:
bonds (distance) C4'-P energy: -114.613
bonds (distance) P-C4' energy: -121.863
flat angles C4'-P-C4' energy: -136.743
flat angles P-C4'-P energy: -79.376
tors. eta vs tors. theta energy: -166.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1848.906140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.906140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.906140 (E_RNA)
where:
Base-Base interactions energy: -1257.175
where: short stacking energy: -523.216
Base-Backbone interact. energy: -3.635
local terms energy: -588.095824
where:
bonds (distance) C4'-P energy: -129.638
bonds (distance) P-C4' energy: -106.396
flat angles C4'-P-C4' energy: -123.617
flat angles P-C4'-P energy: -91.209
tors. eta vs tors. theta energy: -137.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1782.945446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.945446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.945446 (E_RNA)
where:
Base-Base interactions energy: -1210.913
where: short stacking energy: -529.718
Base-Backbone interact. energy: -2.467
local terms energy: -569.565389
where:
bonds (distance) C4'-P energy: -97.408
bonds (distance) P-C4' energy: -109.748
flat angles C4'-P-C4' energy: -127.291
flat angles P-C4'-P energy: -70.432
tors. eta vs tors. theta energy: -164.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1617.597260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.597260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.597260 (E_RNA)
where:
Base-Base interactions energy: -1094.086
where: short stacking energy: -465.499
Base-Backbone interact. energy: -2.096
local terms energy: -521.415567
where:
bonds (distance) C4'-P energy: -106.972
bonds (distance) P-C4' energy: -107.696
flat angles C4'-P-C4' energy: -105.385
flat angles P-C4'-P energy: -73.592
tors. eta vs tors. theta energy: -127.771
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: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1602.561502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.561502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.561502 (E_RNA)
where:
Base-Base interactions energy: -1087.780
where: short stacking energy: -446.343
Base-Backbone interact. energy: 1.160
local terms energy: -515.941589
where:
bonds (distance) C4'-P energy: -100.289
bonds (distance) P-C4' energy: -104.487
flat angles C4'-P-C4' energy: -115.491
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -112.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1340.974503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.974503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.974503 (E_RNA)
where:
Base-Base interactions energy: -885.906
where: short stacking energy: -365.235
Base-Backbone interact. energy: 5.210
local terms energy: -460.277889
where:
bonds (distance) C4'-P energy: -110.599
bonds (distance) P-C4' energy: -101.151
flat angles C4'-P-C4' energy: -97.293
flat angles P-C4'-P energy: -72.519
tors. eta vs tors. theta energy: -78.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -881.261038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.261038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.261038 (E_RNA)
where:
Base-Base interactions energy: -483.169
where: short stacking energy: -221.182
Base-Backbone interact. energy: 4.814
local terms energy: -402.905762
where:
bonds (distance) C4'-P energy: -113.098
bonds (distance) P-C4' energy: -103.582
flat angles C4'-P-C4' energy: -92.842
flat angles P-C4'-P energy: -61.465
tors. eta vs tors. theta energy: -31.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -847.038680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.038680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.038680 (E_RNA)
where:
Base-Base interactions energy: -466.555
where: short stacking energy: -245.639
Base-Backbone interact. energy: -1.381
local terms energy: -379.102596
where:
bonds (distance) C4'-P energy: -86.963
bonds (distance) P-C4' energy: -108.226
flat angles C4'-P-C4' energy: -88.611
flat angles P-C4'-P energy: -60.647
tors. eta vs tors. theta energy: -34.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -450.384244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.384244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.384244 (E_RNA)
where:
Base-Base interactions energy: -158.045
where: short stacking energy: -139.058
Base-Backbone interact. energy: 8.236
local terms energy: -300.575441
where:
bonds (distance) C4'-P energy: -92.309
bonds (distance) P-C4' energy: -105.734
flat angles C4'-P-C4' energy: -73.029
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: 16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2051.551837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.551837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.551837 (E_RNA)
where:
Base-Base interactions energy: -1433.421
where: short stacking energy: -576.812
Base-Backbone interact. energy: -2.544
local terms energy: -615.586434
where:
bonds (distance) C4'-P energy: -107.205
bonds (distance) P-C4' energy: -117.846
flat angles C4'-P-C4' energy: -128.216
flat angles P-C4'-P energy: -94.161
tors. eta vs tors. theta energy: -168.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1954.739756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.739756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.739756 (E_RNA)
where:
Base-Base interactions energy: -1362.373
where: short stacking energy: -551.200
Base-Backbone interact. energy: -0.966
local terms energy: -591.401445
where:
bonds (distance) C4'-P energy: -109.749
bonds (distance) P-C4' energy: -115.682
flat angles C4'-P-C4' energy: -132.865
flat angles P-C4'-P energy: -76.602
tors. eta vs tors. theta energy: -156.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1838.327642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.327642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.327642 (E_RNA)
where:
Base-Base interactions energy: -1265.252
where: short stacking energy: -535.291
Base-Backbone interact. energy: -3.108
local terms energy: -569.966912
where:
bonds (distance) C4'-P energy: -113.992
bonds (distance) P-C4' energy: -101.039
flat angles C4'-P-C4' energy: -122.901
flat angles P-C4'-P energy: -78.185
tors. eta vs tors. theta energy: -153.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1734.677585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.677585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.677585 (E_RNA)
where:
Base-Base interactions energy: -1188.517
where: short stacking energy: -522.406
Base-Backbone interact. energy: -3.184
local terms energy: -542.976863
where:
bonds (distance) C4'-P energy: -104.653
bonds (distance) P-C4' energy: -102.619
flat angles C4'-P-C4' energy: -117.154
flat angles P-C4'-P energy: -66.784
tors. eta vs tors. theta energy: -151.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1626.944707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.944707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.944707 (E_RNA)
where:
Base-Base interactions energy: -1091.823
where: short stacking energy: -496.838
Base-Backbone interact. energy: -2.281
local terms energy: -532.841139
where:
bonds (distance) C4'-P energy: -104.208
bonds (distance) P-C4' energy: -104.134
flat angles C4'-P-C4' energy: -123.165
flat angles P-C4'-P energy: -73.634
tors. eta vs tors. theta energy: -127.700
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: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1629.209533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.209533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.209533 (E_RNA)
where:
Base-Base interactions energy: -1127.713
where: short stacking energy: -482.924
Base-Backbone interact. energy: -1.009
local terms energy: -500.486960
where:
bonds (distance) C4'-P energy: -98.962
bonds (distance) P-C4' energy: -101.004
flat angles C4'-P-C4' energy: -97.712
flat angles P-C4'-P energy: -67.942
tors. eta vs tors. theta energy: -134.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1295.864166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.864166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.864166 (E_RNA)
where:
Base-Base interactions energy: -843.309
where: short stacking energy: -372.659
Base-Backbone interact. energy: -3.083
local terms energy: -449.472223
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -113.241
flat angles C4'-P-C4' energy: -93.823
flat angles P-C4'-P energy: -61.761
tors. eta vs tors. theta energy: -82.012
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: 287
Temperature: 1.250000
Total energy: -912.237236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.237236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.237236 (E_RNA)
where:
Base-Base interactions energy: -521.868
where: short stacking energy: -275.168
Base-Backbone interact. energy: 2.690
local terms energy: -393.059835
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -102.094
flat angles C4'-P-C4' energy: -103.957
flat angles P-C4'-P energy: -52.239
tors. eta vs tors. theta energy: -40.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -780.939439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.939439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.939439 (E_RNA)
where:
Base-Base interactions energy: -458.622
where: short stacking energy: -219.646
Base-Backbone interact. energy: 0.630
local terms energy: -322.947512
where:
bonds (distance) C4'-P energy: -87.930
bonds (distance) P-C4' energy: -101.110
flat angles C4'-P-C4' energy: -81.946
flat angles P-C4'-P energy: -43.253
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -448.387936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.387936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.387936 (E_RNA)
where:
Base-Base interactions energy: -165.822
where: short stacking energy: -141.109
Base-Backbone interact. energy: 1.231
local terms energy: -283.797089
where:
bonds (distance) C4'-P energy: -89.744
bonds (distance) P-C4' energy: -82.261
flat angles C4'-P-C4' energy: -86.124
flat angles P-C4'-P energy: -48.628
tors. eta vs tors. theta energy: 22.960
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: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2067.639178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.639178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.639178 (E_RNA)
where:
Base-Base interactions energy: -1438.989
where: short stacking energy: -577.188
Base-Backbone interact. energy: -3.605
local terms energy: -625.045182
where:
bonds (distance) C4'-P energy: -129.383
bonds (distance) P-C4' energy: -102.013
flat angles C4'-P-C4' energy: -131.790
flat angles P-C4'-P energy: -96.477
tors. eta vs tors. theta energy: -165.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1998.381322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.381322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.381322 (E_RNA)
where:
Base-Base interactions energy: -1375.589
where: short stacking energy: -584.110
Base-Backbone interact. energy: 1.214
local terms energy: -624.006699
where:
bonds (distance) C4'-P energy: -116.573
bonds (distance) P-C4' energy: -120.183
flat angles C4'-P-C4' energy: -136.606
flat angles P-C4'-P energy: -87.494
tors. eta vs tors. theta energy: -163.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1872.023726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.023726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.023726 (E_RNA)
where:
Base-Base interactions energy: -1294.531
where: short stacking energy: -530.476
Base-Backbone interact. energy: -2.888
local terms energy: -574.604984
where:
bonds (distance) C4'-P energy: -103.972
bonds (distance) P-C4' energy: -113.838
flat angles C4'-P-C4' energy: -125.754
flat angles P-C4'-P energy: -79.437
tors. eta vs tors. theta energy: -151.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1732.810286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.810286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.810286 (E_RNA)
where:
Base-Base interactions energy: -1203.227
where: short stacking energy: -518.751
Base-Backbone interact. energy: 1.283
local terms energy: -530.866256
where:
bonds (distance) C4'-P energy: -101.066
bonds (distance) P-C4' energy: -95.736
flat angles C4'-P-C4' energy: -120.676
flat angles P-C4'-P energy: -69.008
tors. eta vs tors. theta energy: -144.380
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: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1691.140009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.140009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.140009 (E_RNA)
where:
Base-Base interactions energy: -1166.649
where: short stacking energy: -495.519
Base-Backbone interact. energy: 0.044
local terms energy: -524.534818
where:
bonds (distance) C4'-P energy: -86.972
bonds (distance) P-C4' energy: -110.573
flat angles C4'-P-C4' energy: -113.058
flat angles P-C4'-P energy: -65.625
tors. eta vs tors. theta energy: -148.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1556.814092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.814092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.814092 (E_RNA)
where:
Base-Base interactions energy: -1054.470
where: short stacking energy: -448.072
Base-Backbone interact. energy: -1.689
local terms energy: -500.655555
where:
bonds (distance) C4'-P energy: -100.409
bonds (distance) P-C4' energy: -104.425
flat angles C4'-P-C4' energy: -111.591
flat angles P-C4'-P energy: -57.613
tors. eta vs tors. theta energy: -126.617
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: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1259.620542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.620542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.620542 (E_RNA)
where:
Base-Base interactions energy: -800.700
where: short stacking energy: -355.898
Base-Backbone interact. energy: -2.501
local terms energy: -456.419110
where:
bonds (distance) C4'-P energy: -105.146
bonds (distance) P-C4' energy: -105.200
flat angles C4'-P-C4' energy: -97.961
flat angles P-C4'-P energy: -60.215
tors. eta vs tors. theta energy: -87.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -880.403515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.403515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.403515 (E_RNA)
where:
Base-Base interactions energy: -506.224
where: short stacking energy: -231.546
Base-Backbone interact. energy: -4.858
local terms energy: -369.321984
where:
bonds (distance) C4'-P energy: -98.424
bonds (distance) P-C4' energy: -114.465
flat angles C4'-P-C4' energy: -85.105
flat angles P-C4'-P energy: -50.050
tors. eta vs tors. theta energy: -21.278
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: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -805.300801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.300801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.300801 (E_RNA)
where:
Base-Base interactions energy: -439.463
where: short stacking energy: -242.143
Base-Backbone interact. energy: 3.315
local terms energy: -369.153267
where:
bonds (distance) C4'-P energy: -94.716
bonds (distance) P-C4' energy: -98.169
flat angles C4'-P-C4' energy: -97.967
flat angles P-C4'-P energy: -42.960
tors. eta vs tors. theta energy: -35.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -453.530890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.530890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.530890 (E_RNA)
where:
Base-Base interactions energy: -159.370
where: short stacking energy: -144.227
Base-Backbone interact. energy: -1.014
local terms energy: -293.147098
where:
bonds (distance) C4'-P energy: -86.506
bonds (distance) P-C4' energy: -82.592
flat angles C4'-P-C4' energy: -78.738
flat angles P-C4'-P energy: -55.171
tors. eta vs tors. theta energy: 9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2061.250080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.250080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.250080 (E_RNA)
where:
Base-Base interactions energy: -1454.974
where: short stacking energy: -581.908
Base-Backbone interact. energy: -2.770
local terms energy: -603.505617
where:
bonds (distance) C4'-P energy: -109.955
bonds (distance) P-C4' energy: -114.181
flat angles C4'-P-C4' energy: -125.000
flat angles P-C4'-P energy: -83.805
tors. eta vs tors. theta energy: -170.564
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: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1983.735363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.735363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.735363 (E_RNA)
where:
Base-Base interactions energy: -1378.682
where: short stacking energy: -567.028
Base-Backbone interact. energy: 3.238
local terms energy: -608.292207
where:
bonds (distance) C4'-P energy: -116.946
bonds (distance) P-C4' energy: -111.161
flat angles C4'-P-C4' energy: -129.398
flat angles P-C4'-P energy: -91.527
tors. eta vs tors. theta energy: -159.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1901.739419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.739419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.739419 (E_RNA)
where:
Base-Base interactions energy: -1311.135
where: short stacking energy: -546.137
Base-Backbone interact. energy: 1.273
local terms energy: -591.878183
where:
bonds (distance) C4'-P energy: -118.223
bonds (distance) P-C4' energy: -112.568
flat angles C4'-P-C4' energy: -130.970
flat angles P-C4'-P energy: -69.267
tors. eta vs tors. theta energy: -160.850
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: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1730.341306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.341306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.341306 (E_RNA)
where:
Base-Base interactions energy: -1155.412
where: short stacking energy: -487.391
Base-Backbone interact. energy: -1.173
local terms energy: -573.755797
where:
bonds (distance) C4'-P energy: -108.469
bonds (distance) P-C4' energy: -108.254
flat angles C4'-P-C4' energy: -124.523
flat angles P-C4'-P energy: -84.335
tors. eta vs tors. theta energy: -148.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1704.460627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.460627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.460627 (E_RNA)
where:
Base-Base interactions energy: -1185.916
where: short stacking energy: -504.316
Base-Backbone interact. energy: -0.374
local terms energy: -518.170772
where:
bonds (distance) C4'-P energy: -101.867
bonds (distance) P-C4' energy: -100.408
flat angles C4'-P-C4' energy: -113.180
flat angles P-C4'-P energy: -67.689
tors. eta vs tors. theta energy: -135.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1566.952672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.952672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.952672 (E_RNA)
where:
Base-Base interactions energy: -1056.758
where: short stacking energy: -448.553
Base-Backbone interact. energy: 1.548
local terms energy: -511.742746
where:
bonds (distance) C4'-P energy: -99.642
bonds (distance) P-C4' energy: -92.447
flat angles C4'-P-C4' energy: -118.935
flat angles P-C4'-P energy: -73.377
tors. eta vs tors. theta energy: -127.341
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: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1249.552413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.552413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.552413 (E_RNA)
where:
Base-Base interactions energy: -793.076
where: short stacking energy: -357.249
Base-Backbone interact. energy: -0.186
local terms energy: -456.290687
where:
bonds (distance) C4'-P energy: -104.331
bonds (distance) P-C4' energy: -101.306
flat angles C4'-P-C4' energy: -114.154
flat angles P-C4'-P energy: -54.788
tors. eta vs tors. theta energy: -81.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -853.082779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.082779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.082779 (E_RNA)
where:
Base-Base interactions energy: -486.472
where: short stacking energy: -234.459
Base-Backbone interact. energy: -1.558
local terms energy: -365.053071
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -96.095
flat angles P-C4'-P energy: -62.129
tors. eta vs tors. theta energy: -24.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -776.298604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.298604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.298604 (E_RNA)
where:
Base-Base interactions energy: -413.477
where: short stacking energy: -216.357
Base-Backbone interact. energy: 1.710
local terms energy: -364.532220
where:
bonds (distance) C4'-P energy: -83.186
bonds (distance) P-C4' energy: -108.142
flat angles C4'-P-C4' energy: -89.629
flat angles P-C4'-P energy: -65.752
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -494.074053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.074053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.074053 (E_RNA)
where:
Base-Base interactions energy: -174.456
where: short stacking energy: -144.072
Base-Backbone interact. energy: -0.202
local terms energy: -319.416735
where:
bonds (distance) C4'-P energy: -94.030
bonds (distance) P-C4' energy: -98.619
flat angles C4'-P-C4' energy: -87.870
flat angles P-C4'-P energy: -60.336
tors. eta vs tors. theta energy: 21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2079.772612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.772612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.772612 (E_RNA)
where:
Base-Base interactions energy: -1456.078
where: short stacking energy: -604.209
Base-Backbone interact. energy: -0.801
local terms energy: -622.894049
where:
bonds (distance) C4'-P energy: -112.704
bonds (distance) P-C4' energy: -115.497
flat angles C4'-P-C4' energy: -138.821
flat angles P-C4'-P energy: -83.526
tors. eta vs tors. theta energy: -172.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2029.105755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.105755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.105755 (E_RNA)
where:
Base-Base interactions energy: -1421.358
where: short stacking energy: -594.940
Base-Backbone interact. energy: -2.847
local terms energy: -604.900197
where:
bonds (distance) C4'-P energy: -112.886
bonds (distance) P-C4' energy: -104.861
flat angles C4'-P-C4' energy: -132.023
flat angles P-C4'-P energy: -89.126
tors. eta vs tors. theta energy: -166.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1890.567722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.567722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.567722 (E_RNA)
where:
Base-Base interactions energy: -1316.732
where: short stacking energy: -541.089
Base-Backbone interact. energy: 1.645
local terms energy: -575.479879
where:
bonds (distance) C4'-P energy: -107.329
bonds (distance) P-C4' energy: -111.372
flat angles C4'-P-C4' energy: -121.298
flat angles P-C4'-P energy: -81.331
tors. eta vs tors. theta energy: -154.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1756.704877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.704877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.704877 (E_RNA)
where:
Base-Base interactions energy: -1189.031
where: short stacking energy: -525.734
Base-Backbone interact. energy: -0.060
local terms energy: -567.614183
where:
bonds (distance) C4'-P energy: -104.467
bonds (distance) P-C4' energy: -107.646
flat angles C4'-P-C4' energy: -120.905
flat angles P-C4'-P energy: -83.690
tors. eta vs tors. theta energy: -150.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1668.393351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.393351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.393351 (E_RNA)
where:
Base-Base interactions energy: -1116.412
where: short stacking energy: -491.412
Base-Backbone interact. energy: 1.429
local terms energy: -553.410898
where:
bonds (distance) C4'-P energy: -117.510
bonds (distance) P-C4' energy: -113.500
flat angles C4'-P-C4' energy: -118.073
flat angles P-C4'-P energy: -61.905
tors. eta vs tors. theta energy: -142.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1565.881896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.881896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.881896 (E_RNA)
where:
Base-Base interactions energy: -1037.056
where: short stacking energy: -434.736
Base-Backbone interact. energy: -1.557
local terms energy: -527.269122
where:
bonds (distance) C4'-P energy: -103.272
bonds (distance) P-C4' energy: -97.960
flat angles C4'-P-C4' energy: -124.255
flat angles P-C4'-P energy: -74.141
tors. eta vs tors. theta energy: -127.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1383.611113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.611113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.611113 (E_RNA)
where:
Base-Base interactions energy: -917.658
where: short stacking energy: -412.858
Base-Backbone interact. energy: -2.915
local terms energy: -463.037380
where:
bonds (distance) C4'-P energy: -89.394
bonds (distance) P-C4' energy: -101.600
flat angles C4'-P-C4' energy: -114.361
flat angles P-C4'-P energy: -63.920
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: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -885.033445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.033445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.033445 (E_RNA)
where:
Base-Base interactions energy: -506.655
where: short stacking energy: -266.217
Base-Backbone interact. energy: -0.117
local terms energy: -378.261237
where:
bonds (distance) C4'-P energy: -72.741
bonds (distance) P-C4' energy: -107.466
flat angles C4'-P-C4' energy: -96.203
flat angles P-C4'-P energy: -70.773
tors. eta vs tors. theta energy: -31.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -794.713078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.713078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.713078 (E_RNA)
where:
Base-Base interactions energy: -445.334
where: short stacking energy: -240.475
Base-Backbone interact. energy: 0.004
local terms energy: -349.382788
where:
bonds (distance) C4'-P energy: -88.916
bonds (distance) P-C4' energy: -105.602
flat angles C4'-P-C4' energy: -75.385
flat angles P-C4'-P energy: -53.145
tors. eta vs tors. theta energy: -26.334
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: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -452.658934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.658934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.658934 (E_RNA)
where:
Base-Base interactions energy: -161.133
where: short stacking energy: -136.203
Base-Backbone interact. energy: -2.543
local terms energy: -288.983146
where:
bonds (distance) C4'-P energy: -81.045
bonds (distance) P-C4' energy: -100.316
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -69.227
tors. eta vs tors. theta energy: 28.172
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: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2057.361077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.361077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.361077 (E_RNA)
where:
Base-Base interactions energy: -1429.008
where: short stacking energy: -571.940
Base-Backbone interact. energy: -2.186
local terms energy: -626.167792
where:
bonds (distance) C4'-P energy: -121.130
bonds (distance) P-C4' energy: -128.483
flat angles C4'-P-C4' energy: -124.550
flat angles P-C4'-P energy: -81.165
tors. eta vs tors. theta energy: -170.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1989.687454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.687454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.687454 (E_RNA)
where:
Base-Base interactions energy: -1406.046
where: short stacking energy: -565.622
Base-Backbone interact. energy: -0.647
local terms energy: -582.993936
where:
bonds (distance) C4'-P energy: -115.599
bonds (distance) P-C4' energy: -114.100
flat angles C4'-P-C4' energy: -123.505
flat angles P-C4'-P energy: -71.234
tors. eta vs tors. theta energy: -158.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1852.417661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.417661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.417661 (E_RNA)
where:
Base-Base interactions energy: -1302.068
where: short stacking energy: -536.496
Base-Backbone interact. energy: -3.901
local terms energy: -546.448813
where:
bonds (distance) C4'-P energy: -97.911
bonds (distance) P-C4' energy: -106.548
flat angles C4'-P-C4' energy: -126.476
flat angles P-C4'-P energy: -72.174
tors. eta vs tors. theta energy: -143.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1745.136750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.136750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.136750 (E_RNA)
where:
Base-Base interactions energy: -1203.090
where: short stacking energy: -508.185
Base-Backbone interact. energy: 0.297
local terms energy: -542.343861
where:
bonds (distance) C4'-P energy: -102.378
bonds (distance) P-C4' energy: -115.017
flat angles C4'-P-C4' energy: -116.797
flat angles P-C4'-P energy: -65.597
tors. eta vs tors. theta energy: -142.554
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: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1672.783337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.783337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.783337 (E_RNA)
where:
Base-Base interactions energy: -1145.020
where: short stacking energy: -499.472
Base-Backbone interact. energy: -2.240
local terms energy: -525.523144
where:
bonds (distance) C4'-P energy: -99.756
bonds (distance) P-C4' energy: -101.004
flat angles C4'-P-C4' energy: -119.657
flat angles P-C4'-P energy: -61.727
tors. eta vs tors. theta energy: -143.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1502.342145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.342145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.342145 (E_RNA)
where:
Base-Base interactions energy: -1002.811
where: short stacking energy: -415.839
Base-Backbone interact. energy: 0.362
local terms energy: -499.892675
where:
bonds (distance) C4'-P energy: -117.712
bonds (distance) P-C4' energy: -91.580
flat angles C4'-P-C4' energy: -123.153
flat angles P-C4'-P energy: -61.067
tors. eta vs tors. theta energy: -106.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1318.051172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.051172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.051172 (E_RNA)
where:
Base-Base interactions energy: -871.234
where: short stacking energy: -365.675
Base-Backbone interact. energy: 6.660
local terms energy: -453.477264
where:
bonds (distance) C4'-P energy: -90.524
bonds (distance) P-C4' energy: -105.266
flat angles C4'-P-C4' energy: -97.859
flat angles P-C4'-P energy: -71.156
tors. eta vs tors. theta energy: -88.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -882.992845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.992845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.992845 (E_RNA)
where:
Base-Base interactions energy: -510.013
where: short stacking energy: -247.765
Base-Backbone interact. energy: -1.530
local terms energy: -371.449898
where:
bonds (distance) C4'-P energy: -100.320
bonds (distance) P-C4' energy: -102.529
flat angles C4'-P-C4' energy: -90.398
flat angles P-C4'-P energy: -57.463
tors. eta vs tors. theta energy: -20.740
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: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -777.741437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.741437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.741437 (E_RNA)
where:
Base-Base interactions energy: -441.435
where: short stacking energy: -215.344
Base-Backbone interact. energy: -2.042
local terms energy: -334.264239
where:
bonds (distance) C4'-P energy: -91.598
bonds (distance) P-C4' energy: -93.871
flat angles C4'-P-C4' energy: -69.583
flat angles P-C4'-P energy: -54.543
tors. eta vs tors. theta energy: -24.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -453.652677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.652677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.652677 (E_RNA)
where:
Base-Base interactions energy: -143.508
where: short stacking energy: -134.292
Base-Backbone interact. energy: -0.279
local terms energy: -309.865665
where:
bonds (distance) C4'-P energy: -92.759
bonds (distance) P-C4' energy: -100.975
flat angles C4'-P-C4' energy: -86.195
flat angles P-C4'-P energy: -45.940
tors. eta vs tors. theta energy: 16.003
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: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2061.243628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.243628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.243628 (E_RNA)
where:
Base-Base interactions energy: -1454.706
where: short stacking energy: -583.688
Base-Backbone interact. energy: -4.522
local terms energy: -602.015029
where:
bonds (distance) C4'-P energy: -116.671
bonds (distance) P-C4' energy: -103.443
flat angles C4'-P-C4' energy: -138.122
flat angles P-C4'-P energy: -79.901
tors. eta vs tors. theta energy: -163.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2043.941129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.941129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.941129 (E_RNA)
where:
Base-Base interactions energy: -1428.159
where: short stacking energy: -581.081
Base-Backbone interact. energy: 0.067
local terms energy: -615.849254
where:
bonds (distance) C4'-P energy: -109.535
bonds (distance) P-C4' energy: -114.111
flat angles C4'-P-C4' energy: -137.604
flat angles P-C4'-P energy: -84.136
tors. eta vs tors. theta energy: -170.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1862.551137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.551137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.551137 (E_RNA)
where:
Base-Base interactions energy: -1284.155
where: short stacking energy: -522.124
Base-Backbone interact. energy: 0.066
local terms energy: -578.462376
where:
bonds (distance) C4'-P energy: -111.285
bonds (distance) P-C4' energy: -113.354
flat angles C4'-P-C4' energy: -121.981
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -159.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1736.267410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.267410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.267410 (E_RNA)
where:
Base-Base interactions energy: -1199.401
where: short stacking energy: -508.896
Base-Backbone interact. energy: -3.723
local terms energy: -533.143287
where:
bonds (distance) C4'-P energy: -96.429
bonds (distance) P-C4' energy: -107.188
flat angles C4'-P-C4' energy: -119.620
flat angles P-C4'-P energy: -71.030
tors. eta vs tors. theta energy: -138.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1644.133027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.133027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.133027 (E_RNA)
where:
Base-Base interactions energy: -1089.829
where: short stacking energy: -459.879
Base-Backbone interact. energy: -2.282
local terms energy: -552.022370
where:
bonds (distance) C4'-P energy: -109.445
bonds (distance) P-C4' energy: -105.223
flat angles C4'-P-C4' energy: -124.574
flat angles P-C4'-P energy: -77.507
tors. eta vs tors. theta energy: -135.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1536.136316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.136316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.136316 (E_RNA)
where:
Base-Base interactions energy: -1037.332
where: short stacking energy: -440.653
Base-Backbone interact. energy: -0.584
local terms energy: -498.220217
where:
bonds (distance) C4'-P energy: -93.030
bonds (distance) P-C4' energy: -106.460
flat angles C4'-P-C4' energy: -112.523
flat angles P-C4'-P energy: -67.477
tors. eta vs tors. theta energy: -118.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1339.409647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.409647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.409647 (E_RNA)
where:
Base-Base interactions energy: -873.853
where: short stacking energy: -354.249
Base-Backbone interact. energy: -1.038
local terms energy: -464.517883
where:
bonds (distance) C4'-P energy: -105.093
bonds (distance) P-C4' energy: -113.681
flat angles C4'-P-C4' energy: -104.097
flat angles P-C4'-P energy: -67.511
tors. eta vs tors. theta energy: -74.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -973.282882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.282882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.282882 (E_RNA)
where:
Base-Base interactions energy: -570.476
where: short stacking energy: -285.693
Base-Backbone interact. energy: -2.607
local terms energy: -400.199410
where:
bonds (distance) C4'-P energy: -83.571
bonds (distance) P-C4' energy: -106.969
flat angles C4'-P-C4' energy: -98.882
flat angles P-C4'-P energy: -61.949
tors. eta vs tors. theta energy: -48.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -759.267094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.267094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.267094 (E_RNA)
where:
Base-Base interactions energy: -415.663
where: short stacking energy: -196.339
Base-Backbone interact. energy: 1.863
local terms energy: -345.467314
where:
bonds (distance) C4'-P energy: -77.216
bonds (distance) P-C4' energy: -109.083
flat angles C4'-P-C4' energy: -97.817
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -451.096500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.096500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.096500 (E_RNA)
where:
Base-Base interactions energy: -133.468
where: short stacking energy: -122.269
Base-Backbone interact. energy: 0.022
local terms energy: -317.650210
where:
bonds (distance) C4'-P energy: -93.459
bonds (distance) P-C4' energy: -100.356
flat angles C4'-P-C4' energy: -84.064
flat angles P-C4'-P energy: -56.817
tors. eta vs tors. theta energy: 17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2080.145888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.145888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.145888 (E_RNA)
where:
Base-Base interactions energy: -1435.393
where: short stacking energy: -600.232
Base-Backbone interact. energy: -3.556
local terms energy: -641.196544
where:
bonds (distance) C4'-P energy: -122.167
bonds (distance) P-C4' energy: -113.590
flat angles C4'-P-C4' energy: -137.416
flat angles P-C4'-P energy: -88.886
tors. eta vs tors. theta energy: -179.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1982.882471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.882471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.882471 (E_RNA)
where:
Base-Base interactions energy: -1383.787
where: short stacking energy: -572.977
Base-Backbone interact. energy: -1.771
local terms energy: -597.324419
where:
bonds (distance) C4'-P energy: -118.409
bonds (distance) P-C4' energy: -107.513
flat angles C4'-P-C4' energy: -119.717
flat angles P-C4'-P energy: -76.858
tors. eta vs tors. theta energy: -174.827
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: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1851.204770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.204770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.204770 (E_RNA)
where:
Base-Base interactions energy: -1301.774
where: short stacking energy: -532.588
Base-Backbone interact. energy: -3.888
local terms energy: -545.542305
where:
bonds (distance) C4'-P energy: -92.099
bonds (distance) P-C4' energy: -116.286
flat angles C4'-P-C4' energy: -116.503
flat angles P-C4'-P energy: -85.311
tors. eta vs tors. theta energy: -135.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1743.214277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.214277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.214277 (E_RNA)
where:
Base-Base interactions energy: -1167.631
where: short stacking energy: -507.410
Base-Backbone interact. energy: -0.635
local terms energy: -574.948128
where:
bonds (distance) C4'-P energy: -109.958
bonds (distance) P-C4' energy: -114.561
flat angles C4'-P-C4' energy: -117.101
flat angles P-C4'-P energy: -81.578
tors. eta vs tors. theta energy: -151.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1665.934509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.934509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.934509 (E_RNA)
where:
Base-Base interactions energy: -1130.947
where: short stacking energy: -470.401
Base-Backbone interact. energy: 2.252
local terms energy: -537.240080
where:
bonds (distance) C4'-P energy: -88.846
bonds (distance) P-C4' energy: -108.365
flat angles C4'-P-C4' energy: -115.797
flat angles P-C4'-P energy: -83.249
tors. eta vs tors. theta energy: -140.983
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: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1483.806585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.806585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.806585 (E_RNA)
where:
Base-Base interactions energy: -981.905
where: short stacking energy: -404.089
Base-Backbone interact. energy: 0.742
local terms energy: -502.643301
where:
bonds (distance) C4'-P energy: -81.082
bonds (distance) P-C4' energy: -115.804
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -72.422
tors. eta vs tors. theta energy: -115.784
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: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1358.603893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.603893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.603893 (E_RNA)
where:
Base-Base interactions energy: -899.379
where: short stacking energy: -362.320
Base-Backbone interact. energy: 4.267
local terms energy: -463.491932
where:
bonds (distance) C4'-P energy: -98.473
bonds (distance) P-C4' energy: -109.754
flat angles C4'-P-C4' energy: -109.086
flat angles P-C4'-P energy: -64.701
tors. eta vs tors. theta energy: -81.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -968.001921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.001921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.001921 (E_RNA)
where:
Base-Base interactions energy: -563.596
where: short stacking energy: -277.197
Base-Backbone interact. energy: -3.210
local terms energy: -401.196552
where:
bonds (distance) C4'-P energy: -112.024
bonds (distance) P-C4' energy: -88.609
flat angles C4'-P-C4' energy: -104.624
flat angles P-C4'-P energy: -51.315
tors. eta vs tors. theta energy: -44.624
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: 293
Temperature: 1.300000
Total energy: -782.066717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.066717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.066717 (E_RNA)
where:
Base-Base interactions energy: -405.411
where: short stacking energy: -221.252
Base-Backbone interact. energy: 5.444
local terms energy: -382.099698
where:
bonds (distance) C4'-P energy: -97.092
bonds (distance) P-C4' energy: -100.724
flat angles C4'-P-C4' energy: -112.580
flat angles P-C4'-P energy: -55.426
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -437.141143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.141143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.141143 (E_RNA)
where:
Base-Base interactions energy: -138.902
where: short stacking energy: -120.747
Base-Backbone interact. energy: 0.846
local terms energy: -299.084736
where:
bonds (distance) C4'-P energy: -90.009
bonds (distance) P-C4' energy: -98.432
flat angles C4'-P-C4' energy: -70.395
flat angles P-C4'-P energy: -55.263
tors. eta vs tors. theta energy: 15.014
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: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2092.657623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.657623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.657623 (E_RNA)
where:
Base-Base interactions energy: -1454.373
where: short stacking energy: -591.532
Base-Backbone interact. energy: -3.509
local terms energy: -634.776078
where:
bonds (distance) C4'-P energy: -128.336
bonds (distance) P-C4' energy: -114.051
flat angles C4'-P-C4' energy: -131.775
flat angles P-C4'-P energy: -101.791
tors. eta vs tors. theta energy: -158.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2021.203525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.203525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.203525 (E_RNA)
where:
Base-Base interactions energy: -1429.500
where: short stacking energy: -584.183
Base-Backbone interact. energy: -3.110
local terms energy: -588.593739
where:
bonds (distance) C4'-P energy: -109.494
bonds (distance) P-C4' energy: -99.829
flat angles C4'-P-C4' energy: -125.990
flat angles P-C4'-P energy: -90.092
tors. eta vs tors. theta energy: -163.189
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: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1850.222056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.222056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.222056 (E_RNA)
where:
Base-Base interactions energy: -1269.190
where: short stacking energy: -490.313
Base-Backbone interact. energy: -2.147
local terms energy: -578.885068
where:
bonds (distance) C4'-P energy: -111.822
bonds (distance) P-C4' energy: -117.477
flat angles C4'-P-C4' energy: -121.758
flat angles P-C4'-P energy: -88.675
tors. eta vs tors. theta energy: -139.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1776.961060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.961060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.961060 (E_RNA)
where:
Base-Base interactions energy: -1220.156
where: short stacking energy: -514.434
Base-Backbone interact. energy: -4.312
local terms energy: -552.493552
where:
bonds (distance) C4'-P energy: -113.517
bonds (distance) P-C4' energy: -85.026
flat angles C4'-P-C4' energy: -128.404
flat angles P-C4'-P energy: -73.200
tors. eta vs tors. theta energy: -152.347
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: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1665.245272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.245272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.245272 (E_RNA)
where:
Base-Base interactions energy: -1119.998
where: short stacking energy: -476.333
Base-Backbone interact. energy: -0.225
local terms energy: -545.022328
where:
bonds (distance) C4'-P energy: -101.240
bonds (distance) P-C4' energy: -108.255
flat angles C4'-P-C4' energy: -121.073
flat angles P-C4'-P energy: -78.691
tors. eta vs tors. theta energy: -135.764
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: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1455.169685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.169685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.169685 (E_RNA)
where:
Base-Base interactions energy: -975.313
where: short stacking energy: -405.505
Base-Backbone interact. energy: 2.931
local terms energy: -482.787244
where:
bonds (distance) C4'-P energy: -109.681
bonds (distance) P-C4' energy: -96.502
flat angles C4'-P-C4' energy: -105.150
flat angles P-C4'-P energy: -66.476
tors. eta vs tors. theta energy: -104.978
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: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1447.931532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.931532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.931532 (E_RNA)
where:
Base-Base interactions energy: -979.074
where: short stacking energy: -420.770
Base-Backbone interact. energy: -3.238
local terms energy: -465.619568
where:
bonds (distance) C4'-P energy: -91.092
bonds (distance) P-C4' energy: -83.302
flat angles C4'-P-C4' energy: -109.617
flat angles P-C4'-P energy: -87.034
tors. eta vs tors. theta energy: -94.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -970.216604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.216604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.216604 (E_RNA)
where:
Base-Base interactions energy: -544.664
where: short stacking energy: -279.458
Base-Backbone interact. energy: 1.100
local terms energy: -426.652892
where:
bonds (distance) C4'-P energy: -89.979
bonds (distance) P-C4' energy: -103.652
flat angles C4'-P-C4' energy: -106.817
flat angles P-C4'-P energy: -67.756
tors. eta vs tors. theta energy: -58.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -730.217981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.217981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.217981 (E_RNA)
where:
Base-Base interactions energy: -372.211
where: short stacking energy: -182.677
Base-Backbone interact. energy: -3.558
local terms energy: -354.449080
where:
bonds (distance) C4'-P energy: -92.228
bonds (distance) P-C4' energy: -92.745
flat angles C4'-P-C4' energy: -102.314
flat angles P-C4'-P energy: -63.213
tors. eta vs tors. theta energy: -3.949
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: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -441.636853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.636853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.636853 (E_RNA)
where:
Base-Base interactions energy: -131.726
where: short stacking energy: -120.168
Base-Backbone interact. energy: 1.015
local terms energy: -310.925818
where:
bonds (distance) C4'-P energy: -101.970
bonds (distance) P-C4' energy: -95.169
flat angles C4'-P-C4' energy: -92.025
flat angles P-C4'-P energy: -46.008
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: 295
Temperature: 0.900000
Total energy: -2116.499924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.499924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.499924 (E_RNA)
where:
Base-Base interactions energy: -1468.251
where: short stacking energy: -607.223
Base-Backbone interact. energy: -5.191
local terms energy: -643.058006
where:
bonds (distance) C4'-P energy: -118.043
bonds (distance) P-C4' energy: -116.863
flat angles C4'-P-C4' energy: -145.170
flat angles P-C4'-P energy: -93.905
tors. eta vs tors. theta energy: -169.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1966.740232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.740232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.740232 (E_RNA)
where:
Base-Base interactions energy: -1361.370
where: short stacking energy: -551.306
Base-Backbone interact. energy: -2.496
local terms energy: -602.873871
where:
bonds (distance) C4'-P energy: -121.350
bonds (distance) P-C4' energy: -113.448
flat angles C4'-P-C4' energy: -131.325
flat angles P-C4'-P energy: -79.949
tors. eta vs tors. theta energy: -156.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1899.386812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.386812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.386812 (E_RNA)
where:
Base-Base interactions energy: -1323.140
where: short stacking energy: -548.202
Base-Backbone interact. energy: 0.987
local terms energy: -577.233345
where:
bonds (distance) C4'-P energy: -108.817
bonds (distance) P-C4' energy: -103.224
flat angles C4'-P-C4' energy: -125.532
flat angles P-C4'-P energy: -84.746
tors. eta vs tors. theta energy: -154.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1788.311984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.311984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.311984 (E_RNA)
where:
Base-Base interactions energy: -1248.672
where: short stacking energy: -528.753
Base-Backbone interact. energy: -0.864
local terms energy: -538.775953
where:
bonds (distance) C4'-P energy: -99.796
bonds (distance) P-C4' energy: -97.262
flat angles C4'-P-C4' energy: -125.472
flat angles P-C4'-P energy: -60.921
tors. eta vs tors. theta energy: -155.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1650.719371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.719371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.719371 (E_RNA)
where:
Base-Base interactions energy: -1119.070
where: short stacking energy: -473.121
Base-Backbone interact. energy: 0.380
local terms energy: -532.028949
where:
bonds (distance) C4'-P energy: -102.328
bonds (distance) P-C4' energy: -110.747
flat angles C4'-P-C4' energy: -113.423
flat angles P-C4'-P energy: -72.522
tors. eta vs tors. theta energy: -133.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1510.142493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.142493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.142493 (E_RNA)
where:
Base-Base interactions energy: -998.614
where: short stacking energy: -412.074
Base-Backbone interact. energy: -2.875
local terms energy: -508.653498
where:
bonds (distance) C4'-P energy: -99.244
bonds (distance) P-C4' energy: -112.358
flat angles C4'-P-C4' energy: -110.119
flat angles P-C4'-P energy: -67.347
tors. eta vs tors. theta energy: -119.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1372.680762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.680762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.680762 (E_RNA)
where:
Base-Base interactions energy: -914.360
where: short stacking energy: -401.009
Base-Backbone interact. energy: 0.590
local terms energy: -458.911084
where:
bonds (distance) C4'-P energy: -77.661
bonds (distance) P-C4' energy: -119.519
flat angles C4'-P-C4' energy: -99.238
flat angles P-C4'-P energy: -58.502
tors. eta vs tors. theta energy: -103.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -937.866841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.866841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.866841 (E_RNA)
where:
Base-Base interactions energy: -536.814
where: short stacking energy: -265.040
Base-Backbone interact. energy: -4.064
local terms energy: -396.988585
where:
bonds (distance) C4'-P energy: -94.636
bonds (distance) P-C4' energy: -106.432
flat angles C4'-P-C4' energy: -101.457
flat angles P-C4'-P energy: -52.015
tors. eta vs tors. theta energy: -42.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -793.390977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.390977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.390977 (E_RNA)
where:
Base-Base interactions energy: -413.812
where: short stacking energy: -213.303
Base-Backbone interact. energy: -3.756
local terms energy: -375.822809
where:
bonds (distance) C4'-P energy: -110.939
bonds (distance) P-C4' energy: -103.049
flat angles C4'-P-C4' energy: -87.060
flat angles P-C4'-P energy: -62.171
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -440.448649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.448649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.448649 (E_RNA)
where:
Base-Base interactions energy: -150.129
where: short stacking energy: -133.037
Base-Backbone interact. energy: 1.498
local terms energy: -291.818129
where:
bonds (distance) C4'-P energy: -90.330
bonds (distance) P-C4' energy: -91.937
flat angles C4'-P-C4' energy: -94.047
flat angles P-C4'-P energy: -29.752
tors. eta vs tors. theta energy: 14.248
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: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2069.485033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.485033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.485033 (E_RNA)
where:
Base-Base interactions energy: -1463.175
where: short stacking energy: -594.372
Base-Backbone interact. energy: -3.666
local terms energy: -602.644102
where:
bonds (distance) C4'-P energy: -109.976
bonds (distance) P-C4' energy: -125.360
flat angles C4'-P-C4' energy: -121.007
flat angles P-C4'-P energy: -75.674
tors. eta vs tors. theta energy: -170.626
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: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1960.500815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.500815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.500815 (E_RNA)
where:
Base-Base interactions energy: -1352.167
where: short stacking energy: -574.884
Base-Backbone interact. energy: -0.796
local terms energy: -607.536984
where:
bonds (distance) C4'-P energy: -113.011
bonds (distance) P-C4' energy: -113.232
flat angles C4'-P-C4' energy: -119.306
flat angles P-C4'-P energy: -91.927
tors. eta vs tors. theta energy: -170.061
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: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1870.466057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.466057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.466057 (E_RNA)
where:
Base-Base interactions energy: -1299.077
where: short stacking energy: -535.386
Base-Backbone interact. energy: -3.343
local terms energy: -568.046371
where:
bonds (distance) C4'-P energy: -101.622
bonds (distance) P-C4' energy: -117.726
flat angles C4'-P-C4' energy: -131.038
flat angles P-C4'-P energy: -74.425
tors. eta vs tors. theta energy: -143.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1794.841318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.841318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.841318 (E_RNA)
where:
Base-Base interactions energy: -1216.412
where: short stacking energy: -531.317
Base-Backbone interact. energy: -0.301
local terms energy: -578.128124
where:
bonds (distance) C4'-P energy: -98.411
bonds (distance) P-C4' energy: -110.458
flat angles C4'-P-C4' energy: -126.193
flat angles P-C4'-P energy: -76.964
tors. eta vs tors. theta energy: -166.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1645.033873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.033873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.033873 (E_RNA)
where:
Base-Base interactions energy: -1110.846
where: short stacking energy: -494.756
Base-Backbone interact. energy: -2.009
local terms energy: -532.178675
where:
bonds (distance) C4'-P energy: -98.360
bonds (distance) P-C4' energy: -101.376
flat angles C4'-P-C4' energy: -117.309
flat angles P-C4'-P energy: -71.259
tors. eta vs tors. theta energy: -143.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1503.509405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.509405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.509405 (E_RNA)
where:
Base-Base interactions energy: -1007.126
where: short stacking energy: -427.462
Base-Backbone interact. energy: 4.358
local terms energy: -500.741439
where:
bonds (distance) C4'-P energy: -109.968
bonds (distance) P-C4' energy: -103.331
flat angles C4'-P-C4' energy: -108.331
flat angles P-C4'-P energy: -79.782
tors. eta vs tors. theta energy: -99.329
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: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1404.335787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.335787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.335787 (E_RNA)
where:
Base-Base interactions energy: -965.801
where: short stacking energy: -397.119
Base-Backbone interact. energy: -1.366
local terms energy: -437.168721
where:
bonds (distance) C4'-P energy: -87.857
bonds (distance) P-C4' energy: -90.014
flat angles C4'-P-C4' energy: -88.190
flat angles P-C4'-P energy: -67.830
tors. eta vs tors. theta energy: -103.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -945.936710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.936710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.936710 (E_RNA)
where:
Base-Base interactions energy: -496.911
where: short stacking energy: -244.904
Base-Backbone interact. energy: -0.313
local terms energy: -448.713618
where:
bonds (distance) C4'-P energy: -114.263
bonds (distance) P-C4' energy: -101.381
flat angles C4'-P-C4' energy: -106.957
flat angles P-C4'-P energy: -74.637
tors. eta vs tors. theta energy: -51.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -770.958357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.958357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.958357 (E_RNA)
where:
Base-Base interactions energy: -434.791
where: short stacking energy: -224.401
Base-Backbone interact. energy: -0.242
local terms energy: -335.925286
where:
bonds (distance) C4'-P energy: -88.419
bonds (distance) P-C4' energy: -106.625
flat angles C4'-P-C4' energy: -85.704
flat angles P-C4'-P energy: -38.008
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -429.935113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.935113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.935113 (E_RNA)
where:
Base-Base interactions energy: -153.625
where: short stacking energy: -126.345
Base-Backbone interact. energy: -1.222
local terms energy: -275.087519
where:
bonds (distance) C4'-P energy: -90.669
bonds (distance) P-C4' energy: -97.456
flat angles C4'-P-C4' energy: -69.532
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: 27.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2053.417771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.417771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.417771 (E_RNA)
where:
Base-Base interactions energy: -1447.785
where: short stacking energy: -578.562
Base-Backbone interact. energy: -3.931
local terms energy: -601.701801
where:
bonds (distance) C4'-P energy: -112.326
bonds (distance) P-C4' energy: -119.991
flat angles C4'-P-C4' energy: -122.010
flat angles P-C4'-P energy: -85.040
tors. eta vs tors. theta energy: -162.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2011.106712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.106712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.106712 (E_RNA)
where:
Base-Base interactions energy: -1392.350
where: short stacking energy: -583.414
Base-Backbone interact. energy: 1.354
local terms energy: -620.110230
where:
bonds (distance) C4'-P energy: -127.167
bonds (distance) P-C4' energy: -114.033
flat angles C4'-P-C4' energy: -130.693
flat angles P-C4'-P energy: -80.160
tors. eta vs tors. theta energy: -168.058
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: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1904.783920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.783920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.783920 (E_RNA)
where:
Base-Base interactions energy: -1322.250
where: short stacking energy: -529.901
Base-Backbone interact. energy: -2.625
local terms energy: -579.908627
where:
bonds (distance) C4'-P energy: -127.885
bonds (distance) P-C4' energy: -112.249
flat angles C4'-P-C4' energy: -125.900
flat angles P-C4'-P energy: -71.946
tors. eta vs tors. theta energy: -141.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1799.620371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.620371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.620371 (E_RNA)
where:
Base-Base interactions energy: -1211.074
where: short stacking energy: -512.420
Base-Backbone interact. energy: 0.210
local terms energy: -588.756906
where:
bonds (distance) C4'-P energy: -106.584
bonds (distance) P-C4' energy: -116.180
flat angles C4'-P-C4' energy: -134.617
flat angles P-C4'-P energy: -89.112
tors. eta vs tors. theta energy: -142.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1717.118104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.118104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.118104 (E_RNA)
where:
Base-Base interactions energy: -1148.609
where: short stacking energy: -525.947
Base-Backbone interact. energy: -0.709
local terms energy: -567.800548
where:
bonds (distance) C4'-P energy: -107.786
bonds (distance) P-C4' energy: -114.432
flat angles C4'-P-C4' energy: -124.054
flat angles P-C4'-P energy: -75.247
tors. eta vs tors. theta energy: -146.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1524.262683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.262683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.262683 (E_RNA)
where:
Base-Base interactions energy: -1009.063
where: short stacking energy: -463.562
Base-Backbone interact. energy: -2.210
local terms energy: -512.989931
where:
bonds (distance) C4'-P energy: -92.944
bonds (distance) P-C4' energy: -106.825
flat angles C4'-P-C4' energy: -122.280
flat angles P-C4'-P energy: -70.677
tors. eta vs tors. theta energy: -120.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1272.386756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.386756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.386756 (E_RNA)
where:
Base-Base interactions energy: -811.064
where: short stacking energy: -350.867
Base-Backbone interact. energy: 0.189
local terms energy: -461.512028
where:
bonds (distance) C4'-P energy: -104.639
bonds (distance) P-C4' energy: -100.783
flat angles C4'-P-C4' energy: -94.347
flat angles P-C4'-P energy: -70.067
tors. eta vs tors. theta energy: -91.677
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: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1025.217264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.217264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.217264 (E_RNA)
where:
Base-Base interactions energy: -601.576
where: short stacking energy: -315.811
Base-Backbone interact. energy: 0.598
local terms energy: -424.238411
where:
bonds (distance) C4'-P energy: -79.856
bonds (distance) P-C4' energy: -95.761
flat angles C4'-P-C4' energy: -104.090
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -70.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -804.521618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.521618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.521618 (E_RNA)
where:
Base-Base interactions energy: -431.671
where: short stacking energy: -218.679
Base-Backbone interact. energy: 0.473
local terms energy: -373.323457
where:
bonds (distance) C4'-P energy: -103.823
bonds (distance) P-C4' energy: -109.257
flat angles C4'-P-C4' energy: -84.294
flat angles P-C4'-P energy: -48.512
tors. eta vs tors. theta energy: -27.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -489.078177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.078177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.078177 (E_RNA)
where:
Base-Base interactions energy: -187.267
where: short stacking energy: -150.095
Base-Backbone interact. energy: -2.006
local terms energy: -299.805795
where:
bonds (distance) C4'-P energy: -95.751
bonds (distance) P-C4' energy: -90.203
flat angles C4'-P-C4' energy: -81.108
flat angles P-C4'-P energy: -38.521
tors. eta vs tors. theta energy: 5.777
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: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2100.525057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.525057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.525057 (E_RNA)
where:
Base-Base interactions energy: -1469.240
where: short stacking energy: -580.487
Base-Backbone interact. energy: -2.088
local terms energy: -629.196226
where:
bonds (distance) C4'-P energy: -111.306
bonds (distance) P-C4' energy: -121.414
flat angles C4'-P-C4' energy: -143.232
flat angles P-C4'-P energy: -81.260
tors. eta vs tors. theta energy: -171.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2008.528574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.528574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.528574 (E_RNA)
where:
Base-Base interactions energy: -1395.176
where: short stacking energy: -581.845
Base-Backbone interact. energy: -0.539
local terms energy: -612.813743
where:
bonds (distance) C4'-P energy: -105.430
bonds (distance) P-C4' energy: -115.127
flat angles C4'-P-C4' energy: -136.612
flat angles P-C4'-P energy: -83.512
tors. eta vs tors. theta energy: -172.134
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: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1868.955223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.955223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.955223 (E_RNA)
where:
Base-Base interactions energy: -1269.774
where: short stacking energy: -540.958
Base-Backbone interact. energy: -3.481
local terms energy: -595.700612
where:
bonds (distance) C4'-P energy: -118.795
bonds (distance) P-C4' energy: -114.395
flat angles C4'-P-C4' energy: -126.428
flat angles P-C4'-P energy: -82.488
tors. eta vs tors. theta energy: -153.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1813.379127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.379127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.379127 (E_RNA)
where:
Base-Base interactions energy: -1223.847
where: short stacking energy: -492.201
Base-Backbone interact. energy: -3.100
local terms energy: -586.432065
where:
bonds (distance) C4'-P energy: -122.492
bonds (distance) P-C4' energy: -105.452
flat angles C4'-P-C4' energy: -138.960
flat angles P-C4'-P energy: -72.050
tors. eta vs tors. theta energy: -147.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1704.447298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.447298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.447298 (E_RNA)
where:
Base-Base interactions energy: -1154.622
where: short stacking energy: -496.925
Base-Backbone interact. energy: -0.925
local terms energy: -548.899854
where:
bonds (distance) C4'-P energy: -101.657
bonds (distance) P-C4' energy: -115.940
flat angles C4'-P-C4' energy: -112.818
flat angles P-C4'-P energy: -68.674
tors. eta vs tors. theta energy: -149.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1505.656013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.656013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.656013 (E_RNA)
where:
Base-Base interactions energy: -991.142
where: short stacking energy: -431.963
Base-Backbone interact. energy: -2.137
local terms energy: -512.376932
where:
bonds (distance) C4'-P energy: -106.092
bonds (distance) P-C4' energy: -105.634
flat angles C4'-P-C4' energy: -113.579
flat angles P-C4'-P energy: -74.345
tors. eta vs tors. theta energy: -112.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1204.051697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.051697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.051697 (E_RNA)
where:
Base-Base interactions energy: -775.901
where: short stacking energy: -335.551
Base-Backbone interact. energy: 1.706
local terms energy: -429.856351
where:
bonds (distance) C4'-P energy: -115.079
bonds (distance) P-C4' energy: -89.195
flat angles C4'-P-C4' energy: -98.741
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: -74.448
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: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -976.432523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.432523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.432523 (E_RNA)
where:
Base-Base interactions energy: -583.639
where: short stacking energy: -295.330
Base-Backbone interact. energy: 6.058
local terms energy: -398.852190
where:
bonds (distance) C4'-P energy: -97.995
bonds (distance) P-C4' energy: -85.299
flat angles C4'-P-C4' energy: -100.203
flat angles P-C4'-P energy: -52.753
tors. eta vs tors. theta energy: -62.603
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: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -815.840125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.840125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.840125 (E_RNA)
where:
Base-Base interactions energy: -444.961
where: short stacking energy: -224.399
Base-Backbone interact. energy: 3.938
local terms energy: -374.817323
where:
bonds (distance) C4'-P energy: -95.398
bonds (distance) P-C4' energy: -100.247
flat angles C4'-P-C4' energy: -89.259
flat angles P-C4'-P energy: -63.512
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -474.522184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.522184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.522184 (E_RNA)
where:
Base-Base interactions energy: -171.078
where: short stacking energy: -120.981
Base-Backbone interact. energy: -0.088
local terms energy: -303.355894
where:
bonds (distance) C4'-P energy: -76.762
bonds (distance) P-C4' energy: -105.480
flat angles C4'-P-C4' energy: -85.794
flat angles P-C4'-P energy: -51.527
tors. eta vs tors. theta energy: 16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2076.091377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.091377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.091377 (E_RNA)
where:
Base-Base interactions energy: -1440.585
where: short stacking energy: -591.678
Base-Backbone interact. energy: -6.236
local terms energy: -629.270501
where:
bonds (distance) C4'-P energy: -128.322
bonds (distance) P-C4' energy: -114.338
flat angles C4'-P-C4' energy: -127.279
flat angles P-C4'-P energy: -83.299
tors. eta vs tors. theta energy: -176.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1989.791188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.791188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.791188 (E_RNA)
where:
Base-Base interactions energy: -1377.073
where: short stacking energy: -583.885
Base-Backbone interact. energy: -3.107
local terms energy: -609.610690
where:
bonds (distance) C4'-P energy: -121.529
bonds (distance) P-C4' energy: -110.628
flat angles C4'-P-C4' energy: -128.440
flat angles P-C4'-P energy: -81.093
tors. eta vs tors. theta energy: -167.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1865.449625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.449625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.449625 (E_RNA)
where:
Base-Base interactions energy: -1300.956
where: short stacking energy: -526.267
Base-Backbone interact. energy: 0.118
local terms energy: -564.611829
where:
bonds (distance) C4'-P energy: -113.595
bonds (distance) P-C4' energy: -108.809
flat angles C4'-P-C4' energy: -126.226
flat angles P-C4'-P energy: -77.026
tors. eta vs tors. theta energy: -138.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1790.463861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.463861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.463861 (E_RNA)
where:
Base-Base interactions energy: -1216.620
where: short stacking energy: -518.966
Base-Backbone interact. energy: -0.544
local terms energy: -573.300033
where:
bonds (distance) C4'-P energy: -106.243
bonds (distance) P-C4' energy: -99.242
flat angles C4'-P-C4' energy: -127.229
flat angles P-C4'-P energy: -85.959
tors. eta vs tors. theta energy: -154.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1687.598817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.598817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.598817 (E_RNA)
where:
Base-Base interactions energy: -1153.821
where: short stacking energy: -508.016
Base-Backbone interact. energy: 0.738
local terms energy: -534.516173
where:
bonds (distance) C4'-P energy: -92.240
bonds (distance) P-C4' energy: -103.641
flat angles C4'-P-C4' energy: -139.573
flat angles P-C4'-P energy: -53.395
tors. eta vs tors. theta energy: -145.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1505.370395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.370395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.370395 (E_RNA)
where:
Base-Base interactions energy: -984.194
where: short stacking energy: -426.104
Base-Backbone interact. energy: -1.939
local terms energy: -519.236484
where:
bonds (distance) C4'-P energy: -108.598
bonds (distance) P-C4' energy: -116.344
flat angles C4'-P-C4' energy: -122.264
flat angles P-C4'-P energy: -63.785
tors. eta vs tors. theta energy: -108.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1167.097675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.097675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.097675 (E_RNA)
where:
Base-Base interactions energy: -732.062
where: short stacking energy: -338.597
Base-Backbone interact. energy: -2.513
local terms energy: -432.522506
where:
bonds (distance) C4'-P energy: -102.062
bonds (distance) P-C4' energy: -111.878
flat angles C4'-P-C4' energy: -94.680
flat angles P-C4'-P energy: -63.621
tors. eta vs tors. theta energy: -60.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -968.024112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.024112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.024112 (E_RNA)
where:
Base-Base interactions energy: -573.042
where: short stacking energy: -252.344
Base-Backbone interact. energy: 0.645
local terms energy: -395.627727
where:
bonds (distance) C4'-P energy: -92.751
bonds (distance) P-C4' energy: -104.633
flat angles C4'-P-C4' energy: -94.728
flat angles P-C4'-P energy: -63.568
tors. eta vs tors. theta energy: -39.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -833.735311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.735311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.735311 (E_RNA)
where:
Base-Base interactions energy: -462.291
where: short stacking energy: -211.020
Base-Backbone interact. energy: 0.834
local terms energy: -372.278518
where:
bonds (distance) C4'-P energy: -94.278
bonds (distance) P-C4' energy: -104.270
flat angles C4'-P-C4' energy: -93.057
flat angles P-C4'-P energy: -60.697
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -458.938019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.938019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.938019 (E_RNA)
where:
Base-Base interactions energy: -158.277
where: short stacking energy: -144.042
Base-Backbone interact. energy: 0.024
local terms energy: -300.684980
where:
bonds (distance) C4'-P energy: -99.702
bonds (distance) P-C4' energy: -90.543
flat angles C4'-P-C4' energy: -92.649
flat angles P-C4'-P energy: -32.007
tors. eta vs tors. theta energy: 14.216
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: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2072.846783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.846783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.846783 (E_RNA)
where:
Base-Base interactions energy: -1428.536
where: short stacking energy: -585.692
Base-Backbone interact. energy: -1.804
local terms energy: -642.506823
where:
bonds (distance) C4'-P energy: -118.608
bonds (distance) P-C4' energy: -120.577
flat angles C4'-P-C4' energy: -141.030
flat angles P-C4'-P energy: -84.260
tors. eta vs tors. theta energy: -178.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2009.818464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.818464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.818464 (E_RNA)
where:
Base-Base interactions energy: -1391.732
where: short stacking energy: -578.060
Base-Backbone interact. energy: -3.267
local terms energy: -614.819866
where:
bonds (distance) C4'-P energy: -108.549
bonds (distance) P-C4' energy: -122.526
flat angles C4'-P-C4' energy: -128.598
flat angles P-C4'-P energy: -85.639
tors. eta vs tors. theta energy: -169.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1850.119895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.119895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.119895 (E_RNA)
where:
Base-Base interactions energy: -1267.160
where: short stacking energy: -545.127
Base-Backbone interact. energy: -2.452
local terms energy: -580.507758
where:
bonds (distance) C4'-P energy: -99.112
bonds (distance) P-C4' energy: -116.813
flat angles C4'-P-C4' energy: -126.054
flat angles P-C4'-P energy: -78.045
tors. eta vs tors. theta energy: -160.484
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: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1809.341404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.341404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.341404 (E_RNA)
where:
Base-Base interactions energy: -1250.267
where: short stacking energy: -522.252
Base-Backbone interact. energy: 1.435
local terms energy: -560.509732
where:
bonds (distance) C4'-P energy: -115.544
bonds (distance) P-C4' energy: -102.785
flat angles C4'-P-C4' energy: -127.445
flat angles P-C4'-P energy: -68.960
tors. eta vs tors. theta energy: -145.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1688.661756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.661756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.661756 (E_RNA)
where:
Base-Base interactions energy: -1157.207
where: short stacking energy: -525.891
Base-Backbone interact. energy: -1.608
local terms energy: -529.846851
where:
bonds (distance) C4'-P energy: -91.485
bonds (distance) P-C4' energy: -110.511
flat angles C4'-P-C4' energy: -113.559
flat angles P-C4'-P energy: -61.526
tors. eta vs tors. theta energy: -152.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1532.542176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.542176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.542176 (E_RNA)
where:
Base-Base interactions energy: -1023.283
where: short stacking energy: -484.047
Base-Backbone interact. energy: 3.339
local terms energy: -512.598598
where:
bonds (distance) C4'-P energy: -95.782
bonds (distance) P-C4' energy: -101.013
flat angles C4'-P-C4' energy: -120.997
flat angles P-C4'-P energy: -69.002
tors. eta vs tors. theta energy: -125.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1184.751655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.751655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.751655 (E_RNA)
where:
Base-Base interactions energy: -738.699
where: short stacking energy: -328.452
Base-Backbone interact. energy: -1.400
local terms energy: -444.652331
where:
bonds (distance) C4'-P energy: -107.854
bonds (distance) P-C4' energy: -100.965
flat angles C4'-P-C4' energy: -94.357
flat angles P-C4'-P energy: -52.773
tors. eta vs tors. theta energy: -88.703
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: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -972.246888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.246888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.246888 (E_RNA)
where:
Base-Base interactions energy: -589.609
where: short stacking energy: -272.726
Base-Backbone interact. energy: 4.011
local terms energy: -386.648581
where:
bonds (distance) C4'-P energy: -87.814
bonds (distance) P-C4' energy: -97.117
flat angles C4'-P-C4' energy: -103.812
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -43.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -845.128235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.128235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.128235 (E_RNA)
where:
Base-Base interactions energy: -474.406
where: short stacking energy: -241.475
Base-Backbone interact. energy: -1.999
local terms energy: -368.723211
where:
bonds (distance) C4'-P energy: -99.317
bonds (distance) P-C4' energy: -96.674
flat angles C4'-P-C4' energy: -96.348
flat angles P-C4'-P energy: -57.790
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -453.748764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.748764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.748764 (E_RNA)
where:
Base-Base interactions energy: -144.956
where: short stacking energy: -122.373
Base-Backbone interact. energy: -1.080
local terms energy: -307.712700
where:
bonds (distance) C4'-P energy: -88.880
bonds (distance) P-C4' energy: -104.752
flat angles C4'-P-C4' energy: -68.038
flat angles P-C4'-P energy: -46.237
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2075.387681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.387681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.387681 (E_RNA)
where:
Base-Base interactions energy: -1432.870
where: short stacking energy: -607.995
Base-Backbone interact. energy: -7.570
local terms energy: -634.948404
where:
bonds (distance) C4'-P energy: -113.003
bonds (distance) P-C4' energy: -121.714
flat angles C4'-P-C4' energy: -137.352
flat angles P-C4'-P energy: -83.529
tors. eta vs tors. theta energy: -179.350
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: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1943.875005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.875005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.875005 (E_RNA)
where:
Base-Base interactions energy: -1373.002
where: short stacking energy: -563.148
Base-Backbone interact. energy: -1.574
local terms energy: -569.299512
where:
bonds (distance) C4'-P energy: -96.836
bonds (distance) P-C4' energy: -117.741
flat angles C4'-P-C4' energy: -128.059
flat angles P-C4'-P energy: -75.474
tors. eta vs tors. theta energy: -151.189
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: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1880.428342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.428342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.428342 (E_RNA)
where:
Base-Base interactions energy: -1294.739
where: short stacking energy: -511.125
Base-Backbone interact. energy: -4.475
local terms energy: -581.215015
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -113.953
flat angles C4'-P-C4' energy: -124.121
flat angles P-C4'-P energy: -86.765
tors. eta vs tors. theta energy: -148.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1797.542543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.542543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.542543 (E_RNA)
where:
Base-Base interactions energy: -1239.856
where: short stacking energy: -507.912
Base-Backbone interact. energy: -2.857
local terms energy: -554.828761
where:
bonds (distance) C4'-P energy: -84.909
bonds (distance) P-C4' energy: -121.138
flat angles C4'-P-C4' energy: -133.564
flat angles P-C4'-P energy: -67.260
tors. eta vs tors. theta energy: -147.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1674.459992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.459992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.459992 (E_RNA)
where:
Base-Base interactions energy: -1126.581
where: short stacking energy: -496.374
Base-Backbone interact. energy: -3.161
local terms energy: -544.718862
where:
bonds (distance) C4'-P energy: -103.760
bonds (distance) P-C4' energy: -96.159
flat angles C4'-P-C4' energy: -132.363
flat angles P-C4'-P energy: -67.225
tors. eta vs tors. theta energy: -145.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1544.220723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.220723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.220723 (E_RNA)
where:
Base-Base interactions energy: -993.364
where: short stacking energy: -438.827
Base-Backbone interact. energy: -1.179
local terms energy: -549.677895
where:
bonds (distance) C4'-P energy: -113.036
bonds (distance) P-C4' energy: -108.316
flat angles C4'-P-C4' energy: -128.595
flat angles P-C4'-P energy: -73.433
tors. eta vs tors. theta energy: -126.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1207.079409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.079409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.079409 (E_RNA)
where:
Base-Base interactions energy: -764.829
where: short stacking energy: -345.082
Base-Backbone interact. energy: -3.133
local terms energy: -439.116789
where:
bonds (distance) C4'-P energy: -112.001
bonds (distance) P-C4' energy: -98.551
flat angles C4'-P-C4' energy: -105.386
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: -77.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1051.271450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.271450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.271450 (E_RNA)
where:
Base-Base interactions energy: -669.716
where: short stacking energy: -296.398
Base-Backbone interact. energy: -2.067
local terms energy: -379.488602
where:
bonds (distance) C4'-P energy: -67.985
bonds (distance) P-C4' energy: -103.329
flat angles C4'-P-C4' energy: -97.687
flat angles P-C4'-P energy: -63.077
tors. eta vs tors. theta energy: -47.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -815.967335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.967335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.967335 (E_RNA)
where:
Base-Base interactions energy: -484.541
where: short stacking energy: -212.257
Base-Backbone interact. energy: -4.161
local terms energy: -327.265450
where:
bonds (distance) C4'-P energy: -89.866
bonds (distance) P-C4' energy: -96.175
flat angles C4'-P-C4' energy: -89.718
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -452.336676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.336676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.336676 (E_RNA)
where:
Base-Base interactions energy: -139.541
where: short stacking energy: -127.780
Base-Backbone interact. energy: -5.556
local terms energy: -307.239916
where:
bonds (distance) C4'-P energy: -87.816
bonds (distance) P-C4' energy: -95.937
flat angles C4'-P-C4' energy: -76.637
flat angles P-C4'-P energy: -68.352
tors. eta vs tors. theta energy: 21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2079.342339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.342339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.342339 (E_RNA)
where:
Base-Base interactions energy: -1441.022
where: short stacking energy: -597.304
Base-Backbone interact. energy: -2.398
local terms energy: -635.922838
where:
bonds (distance) C4'-P energy: -115.135
bonds (distance) P-C4' energy: -124.138
flat angles C4'-P-C4' energy: -131.387
flat angles P-C4'-P energy: -90.816
tors. eta vs tors. theta energy: -174.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1980.478570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.478570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.478570 (E_RNA)
where:
Base-Base interactions energy: -1382.190
where: short stacking energy: -568.138
Base-Backbone interact. energy: -4.352
local terms energy: -593.936459
where:
bonds (distance) C4'-P energy: -109.243
bonds (distance) P-C4' energy: -120.537
flat angles C4'-P-C4' energy: -125.060
flat angles P-C4'-P energy: -83.051
tors. eta vs tors. theta energy: -156.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1893.587011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.587011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.587011 (E_RNA)
where:
Base-Base interactions energy: -1299.842
where: short stacking energy: -527.172
Base-Backbone interact. energy: 0.647
local terms energy: -594.391596
where:
bonds (distance) C4'-P energy: -125.467
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -130.345
flat angles P-C4'-P energy: -76.089
tors. eta vs tors. theta energy: -146.990
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: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1795.212064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.212064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.212064 (E_RNA)
where:
Base-Base interactions energy: -1233.699
where: short stacking energy: -518.841
Base-Backbone interact. energy: -1.027
local terms energy: -560.485476
where:
bonds (distance) C4'-P energy: -101.938
bonds (distance) P-C4' energy: -104.954
flat angles C4'-P-C4' energy: -122.030
flat angles P-C4'-P energy: -85.931
tors. eta vs tors. theta energy: -145.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1664.884791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.884791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.884791 (E_RNA)
where:
Base-Base interactions energy: -1127.354
where: short stacking energy: -484.595
Base-Backbone interact. energy: 2.038
local terms energy: -539.569155
where:
bonds (distance) C4'-P energy: -103.205
bonds (distance) P-C4' energy: -113.347
flat angles C4'-P-C4' energy: -122.203
flat angles P-C4'-P energy: -71.040
tors. eta vs tors. theta energy: -129.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1511.653881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.653881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.653881 (E_RNA)
where:
Base-Base interactions energy: -1025.667
where: short stacking energy: -446.312
Base-Backbone interact. energy: -2.965
local terms energy: -483.021259
where:
bonds (distance) C4'-P energy: -102.319
bonds (distance) P-C4' energy: -90.188
flat angles C4'-P-C4' energy: -104.082
flat angles P-C4'-P energy: -69.133
tors. eta vs tors. theta energy: -117.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1173.220919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.220919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.220919 (E_RNA)
where:
Base-Base interactions energy: -741.548
where: short stacking energy: -340.302
Base-Backbone interact. energy: -2.527
local terms energy: -429.145925
where:
bonds (distance) C4'-P energy: -96.490
bonds (distance) P-C4' energy: -103.061
flat angles C4'-P-C4' energy: -95.372
flat angles P-C4'-P energy: -60.957
tors. eta vs tors. theta energy: -73.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1016.570148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.570148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.570148 (E_RNA)
where:
Base-Base interactions energy: -589.731
where: short stacking energy: -277.209
Base-Backbone interact. energy: -0.253
local terms energy: -426.585839
where:
bonds (distance) C4'-P energy: -97.449
bonds (distance) P-C4' energy: -107.704
flat angles C4'-P-C4' energy: -109.021
flat angles P-C4'-P energy: -60.832
tors. eta vs tors. theta energy: -51.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -823.732216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.732216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.732216 (E_RNA)
where:
Base-Base interactions energy: -448.392
where: short stacking energy: -210.822
Base-Backbone interact. energy: -1.817
local terms energy: -373.523347
where:
bonds (distance) C4'-P energy: -106.875
bonds (distance) P-C4' energy: -100.446
flat angles C4'-P-C4' energy: -91.994
flat angles P-C4'-P energy: -63.399
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -467.466685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.466685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.466685 (E_RNA)
where:
Base-Base interactions energy: -158.382
where: short stacking energy: -119.084
Base-Backbone interact. energy: 1.247
local terms energy: -310.330980
where:
bonds (distance) C4'-P energy: -108.263
bonds (distance) P-C4' energy: -86.026
flat angles C4'-P-C4' energy: -82.014
flat angles P-C4'-P energy: -59.955
tors. eta vs tors. theta energy: 25.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2070.105393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.105393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.105393 (E_RNA)
where:
Base-Base interactions energy: -1435.490
where: short stacking energy: -574.215
Base-Backbone interact. energy: -2.494
local terms energy: -632.121333
where:
bonds (distance) C4'-P energy: -121.782
bonds (distance) P-C4' energy: -114.971
flat angles C4'-P-C4' energy: -131.132
flat angles P-C4'-P energy: -94.567
tors. eta vs tors. theta energy: -169.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2011.848252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.848252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.848252 (E_RNA)
where:
Base-Base interactions energy: -1382.547
where: short stacking energy: -568.318
Base-Backbone interact. energy: -1.906
local terms energy: -627.395107
where:
bonds (distance) C4'-P energy: -123.602
bonds (distance) P-C4' energy: -121.129
flat angles C4'-P-C4' energy: -125.496
flat angles P-C4'-P energy: -78.010
tors. eta vs tors. theta energy: -179.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1866.544541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.544541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.544541 (E_RNA)
where:
Base-Base interactions energy: -1320.895
where: short stacking energy: -535.976
Base-Backbone interact. energy: -0.499
local terms energy: -545.150953
where:
bonds (distance) C4'-P energy: -110.307
bonds (distance) P-C4' energy: -101.223
flat angles C4'-P-C4' energy: -123.117
flat angles P-C4'-P energy: -78.281
tors. eta vs tors. theta energy: -132.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1769.188050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.188050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.188050 (E_RNA)
where:
Base-Base interactions energy: -1221.621
where: short stacking energy: -523.595
Base-Backbone interact. energy: -2.008
local terms energy: -545.559852
where:
bonds (distance) C4'-P energy: -103.666
bonds (distance) P-C4' energy: -101.500
flat angles C4'-P-C4' energy: -124.452
flat angles P-C4'-P energy: -71.144
tors. eta vs tors. theta energy: -144.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1717.548543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.548543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.548543 (E_RNA)
where:
Base-Base interactions energy: -1184.367
where: short stacking energy: -471.436
Base-Backbone interact. energy: -1.779
local terms energy: -531.402675
where:
bonds (distance) C4'-P energy: -93.237
bonds (distance) P-C4' energy: -102.265
flat angles C4'-P-C4' energy: -124.971
flat angles P-C4'-P energy: -79.841
tors. eta vs tors. theta energy: -131.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1487.503559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.503559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.503559 (E_RNA)
where:
Base-Base interactions energy: -1017.518
where: short stacking energy: -419.285
Base-Backbone interact. energy: 1.099
local terms energy: -471.084522
where:
bonds (distance) C4'-P energy: -80.836
bonds (distance) P-C4' energy: -108.949
flat angles C4'-P-C4' energy: -118.382
flat angles P-C4'-P energy: -70.597
tors. eta vs tors. theta energy: -92.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1213.331934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.331934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.331934 (E_RNA)
where:
Base-Base interactions energy: -752.757
where: short stacking energy: -330.818
Base-Backbone interact. energy: -1.897
local terms energy: -458.678047
where:
bonds (distance) C4'-P energy: -108.452
bonds (distance) P-C4' energy: -109.813
flat angles C4'-P-C4' energy: -105.843
flat angles P-C4'-P energy: -58.921
tors. eta vs tors. theta energy: -75.650
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: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1053.106435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.106435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.106435 (E_RNA)
where:
Base-Base interactions energy: -650.240
where: short stacking energy: -311.127
Base-Backbone interact. energy: 2.107
local terms energy: -404.973477
where:
bonds (distance) C4'-P energy: -104.117
bonds (distance) P-C4' energy: -101.564
flat angles C4'-P-C4' energy: -75.046
flat angles P-C4'-P energy: -75.057
tors. eta vs tors. theta energy: -49.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -900.082289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.082289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.082289 (E_RNA)
where:
Base-Base interactions energy: -513.731
where: short stacking energy: -265.255
Base-Backbone interact. energy: -0.229
local terms energy: -386.122206
where:
bonds (distance) C4'-P energy: -96.278
bonds (distance) P-C4' energy: -95.215
flat angles C4'-P-C4' energy: -99.969
flat angles P-C4'-P energy: -52.435
tors. eta vs tors. theta energy: -42.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -537.290013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.290013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.290013 (E_RNA)
where:
Base-Base interactions energy: -235.758
where: short stacking energy: -152.607
Base-Backbone interact. energy: -0.874
local terms energy: -300.658444
where:
bonds (distance) C4'-P energy: -95.948
bonds (distance) P-C4' energy: -99.936
flat angles C4'-P-C4' energy: -74.919
flat angles P-C4'-P energy: -40.449
tors. eta vs tors. theta energy: 10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2066.884167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.884167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.884167 (E_RNA)
where:
Base-Base interactions energy: -1428.735
where: short stacking energy: -591.260
Base-Backbone interact. energy: -2.828
local terms energy: -635.321332
where:
bonds (distance) C4'-P energy: -127.455
bonds (distance) P-C4' energy: -111.467
flat angles C4'-P-C4' energy: -133.714
flat angles P-C4'-P energy: -81.322
tors. eta vs tors. theta energy: -181.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2027.024616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.024616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.024616 (E_RNA)
where:
Base-Base interactions energy: -1420.269
where: short stacking energy: -589.067
Base-Backbone interact. energy: -4.381
local terms energy: -602.374190
where:
bonds (distance) C4'-P energy: -100.030
bonds (distance) P-C4' energy: -112.983
flat angles C4'-P-C4' energy: -131.008
flat angles P-C4'-P energy: -89.539
tors. eta vs tors. theta energy: -168.814
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: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1862.353016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.353016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.353016 (E_RNA)
where:
Base-Base interactions energy: -1300.793
where: short stacking energy: -512.262
Base-Backbone interact. energy: 2.468
local terms energy: -564.028543
where:
bonds (distance) C4'-P energy: -101.963
bonds (distance) P-C4' energy: -116.293
flat angles C4'-P-C4' energy: -129.120
flat angles P-C4'-P energy: -73.605
tors. eta vs tors. theta energy: -143.048
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: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1762.986936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.986936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.986936 (E_RNA)
where:
Base-Base interactions energy: -1182.973
where: short stacking energy: -517.243
Base-Backbone interact. energy: -2.141
local terms energy: -577.872692
where:
bonds (distance) C4'-P energy: -112.008
bonds (distance) P-C4' energy: -94.571
flat angles C4'-P-C4' energy: -133.157
flat angles P-C4'-P energy: -91.886
tors. eta vs tors. theta energy: -146.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1757.530515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.530515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.530515 (E_RNA)
where:
Base-Base interactions energy: -1202.046
where: short stacking energy: -496.454
Base-Backbone interact. energy: -0.585
local terms energy: -554.899935
where:
bonds (distance) C4'-P energy: -113.162
bonds (distance) P-C4' energy: -94.133
flat angles C4'-P-C4' energy: -116.764
flat angles P-C4'-P energy: -85.663
tors. eta vs tors. theta energy: -145.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1542.389353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.389353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.389353 (E_RNA)
where:
Base-Base interactions energy: -1050.338
where: short stacking energy: -462.144
Base-Backbone interact. energy: 6.165
local terms energy: -498.216466
where:
bonds (distance) C4'-P energy: -86.424
bonds (distance) P-C4' energy: -95.390
flat angles C4'-P-C4' energy: -119.591
flat angles P-C4'-P energy: -81.395
tors. eta vs tors. theta energy: -115.415
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: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1202.058138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.058138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.058138 (E_RNA)
where:
Base-Base interactions energy: -748.446
where: short stacking energy: -361.118
Base-Backbone interact. energy: 7.361
local terms energy: -460.972840
where:
bonds (distance) C4'-P energy: -105.347
bonds (distance) P-C4' energy: -103.212
flat angles C4'-P-C4' energy: -111.327
flat angles P-C4'-P energy: -58.998
tors. eta vs tors. theta energy: -82.088
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: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1023.410508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.410508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.410508 (E_RNA)
where:
Base-Base interactions energy: -630.855
where: short stacking energy: -293.774
Base-Backbone interact. energy: -0.580
local terms energy: -391.975477
where:
bonds (distance) C4'-P energy: -87.119
bonds (distance) P-C4' energy: -92.487
flat angles C4'-P-C4' energy: -90.817
flat angles P-C4'-P energy: -56.558
tors. eta vs tors. theta energy: -64.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -920.890314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.890314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.890314 (E_RNA)
where:
Base-Base interactions energy: -569.816
where: short stacking energy: -284.669
Base-Backbone interact. energy: -2.789
local terms energy: -348.285290
where:
bonds (distance) C4'-P energy: -76.120
bonds (distance) P-C4' energy: -96.864
flat angles C4'-P-C4' energy: -98.627
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -40.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -561.636321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.636321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.636321 (E_RNA)
where:
Base-Base interactions energy: -252.849
where: short stacking energy: -152.275
Base-Backbone interact. energy: 2.529
local terms energy: -311.316963
where:
bonds (distance) C4'-P energy: -57.301
bonds (distance) P-C4' energy: -110.257
flat angles C4'-P-C4' energy: -84.780
flat angles P-C4'-P energy: -65.733
tors. eta vs tors. theta energy: 6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2073.055256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.055256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.055256 (E_RNA)
where:
Base-Base interactions energy: -1434.340
where: short stacking energy: -595.762
Base-Backbone interact. energy: -2.836
local terms energy: -635.879420
where:
bonds (distance) C4'-P energy: -115.785
bonds (distance) P-C4' energy: -123.633
flat angles C4'-P-C4' energy: -137.577
flat angles P-C4'-P energy: -89.590
tors. eta vs tors. theta energy: -169.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2031.331583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.331583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.331583 (E_RNA)
where:
Base-Base interactions energy: -1408.159
where: short stacking energy: -589.653
Base-Backbone interact. energy: -1.064
local terms energy: -622.108026
where:
bonds (distance) C4'-P energy: -108.236
bonds (distance) P-C4' energy: -115.888
flat angles C4'-P-C4' energy: -137.590
flat angles P-C4'-P energy: -80.494
tors. eta vs tors. theta energy: -179.900
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: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1868.690277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.690277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.690277 (E_RNA)
where:
Base-Base interactions energy: -1267.464
where: short stacking energy: -537.263
Base-Backbone interact. energy: -2.287
local terms energy: -598.939403
where:
bonds (distance) C4'-P energy: -112.494
bonds (distance) P-C4' energy: -105.127
flat angles C4'-P-C4' energy: -141.046
flat angles P-C4'-P energy: -86.597
tors. eta vs tors. theta energy: -153.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1761.318251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.318251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.318251 (E_RNA)
where:
Base-Base interactions energy: -1153.067
where: short stacking energy: -511.217
Base-Backbone interact. energy: -1.363
local terms energy: -606.887996
where:
bonds (distance) C4'-P energy: -121.600
bonds (distance) P-C4' energy: -117.093
flat angles C4'-P-C4' energy: -119.994
flat angles P-C4'-P energy: -91.767
tors. eta vs tors. theta energy: -156.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1713.010256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.010256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.010256 (E_RNA)
where:
Base-Base interactions energy: -1151.586
where: short stacking energy: -482.067
Base-Backbone interact. energy: -2.845
local terms energy: -558.579618
where:
bonds (distance) C4'-P energy: -102.460
bonds (distance) P-C4' energy: -108.027
flat angles C4'-P-C4' energy: -131.490
flat angles P-C4'-P energy: -71.313
tors. eta vs tors. theta energy: -145.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1542.864430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.864430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.864430 (E_RNA)
where:
Base-Base interactions energy: -1051.195
where: short stacking energy: -439.640
Base-Backbone interact. energy: -2.169
local terms energy: -489.500557
where:
bonds (distance) C4'-P energy: -95.554
bonds (distance) P-C4' energy: -113.573
flat angles C4'-P-C4' energy: -103.540
flat angles P-C4'-P energy: -68.082
tors. eta vs tors. theta energy: -108.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1270.072671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.072671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.072671 (E_RNA)
where:
Base-Base interactions energy: -850.008
where: short stacking energy: -368.307
Base-Backbone interact. energy: -0.121
local terms energy: -419.943704
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -100.498
flat angles C4'-P-C4' energy: -101.164
flat angles P-C4'-P energy: -57.490
tors. eta vs tors. theta energy: -77.902
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: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1039.413988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.413988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.413988 (E_RNA)
where:
Base-Base interactions energy: -638.873
where: short stacking energy: -310.706
Base-Backbone interact. energy: -1.180
local terms energy: -399.361162
where:
bonds (distance) C4'-P energy: -88.128
bonds (distance) P-C4' energy: -107.499
flat angles C4'-P-C4' energy: -94.586
flat angles P-C4'-P energy: -57.754
tors. eta vs tors. theta energy: -51.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -931.685182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.685182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.685182 (E_RNA)
where:
Base-Base interactions energy: -547.940
where: short stacking energy: -257.923
Base-Backbone interact. energy: 0.857
local terms energy: -384.602253
where:
bonds (distance) C4'-P energy: -91.280
bonds (distance) P-C4' energy: -108.675
flat angles C4'-P-C4' energy: -100.342
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -33.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -553.226904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.226904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.226904 (E_RNA)
where:
Base-Base interactions energy: -254.846
where: short stacking energy: -143.386
Base-Backbone interact. energy: 1.185
local terms energy: -299.566011
where:
bonds (distance) C4'-P energy: -99.363
bonds (distance) P-C4' energy: -79.196
flat angles C4'-P-C4' energy: -70.909
flat angles P-C4'-P energy: -62.385
tors. eta vs tors. theta energy: 12.288
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: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2063.337797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.337797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.337797 (E_RNA)
where:
Base-Base interactions energy: -1418.143
where: short stacking energy: -590.693
Base-Backbone interact. energy: -3.598
local terms energy: -641.596424
where:
bonds (distance) C4'-P energy: -127.918
bonds (distance) P-C4' energy: -122.964
flat angles C4'-P-C4' energy: -130.734
flat angles P-C4'-P energy: -88.983
tors. eta vs tors. theta energy: -170.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2020.998418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.998418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.998418 (E_RNA)
where:
Base-Base interactions energy: -1420.756
where: short stacking energy: -575.078
Base-Backbone interact. energy: -1.425
local terms energy: -598.817482
where:
bonds (distance) C4'-P energy: -110.419
bonds (distance) P-C4' energy: -113.850
flat angles C4'-P-C4' energy: -127.873
flat angles P-C4'-P energy: -79.897
tors. eta vs tors. theta energy: -166.778
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: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1815.403306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.403306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.403306 (E_RNA)
where:
Base-Base interactions energy: -1245.909
where: short stacking energy: -538.567
Base-Backbone interact. energy: -1.685
local terms energy: -567.809066
where:
bonds (distance) C4'-P energy: -114.165
bonds (distance) P-C4' energy: -110.462
flat angles C4'-P-C4' energy: -123.960
flat angles P-C4'-P energy: -71.214
tors. eta vs tors. theta energy: -148.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1765.678208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.678208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.678208 (E_RNA)
where:
Base-Base interactions energy: -1200.030
where: short stacking energy: -519.736
Base-Backbone interact. energy: -1.864
local terms energy: -563.784194
where:
bonds (distance) C4'-P energy: -94.800
bonds (distance) P-C4' energy: -105.717
flat angles C4'-P-C4' energy: -135.822
flat angles P-C4'-P energy: -62.441
tors. eta vs tors. theta energy: -165.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1728.016887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.016887 (E_RNA)
where:
Base-Base interactions energy: -1192.699
where: short stacking energy: -509.293
Base-Backbone interact. energy: 1.687
local terms energy: -537.005152
where:
bonds (distance) C4'-P energy: -90.683
bonds (distance) P-C4' energy: -109.212
flat angles C4'-P-C4' energy: -124.716
flat angles P-C4'-P energy: -68.554
tors. eta vs tors. theta energy: -143.841
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: 306
Temperature: 1.150000
Total energy: -1521.381698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.381698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.381698 (E_RNA)
where:
Base-Base interactions energy: -1020.416
where: short stacking energy: -452.402
Base-Backbone interact. energy: -1.193
local terms energy: -499.772481
where:
bonds (distance) C4'-P energy: -99.633
bonds (distance) P-C4' energy: -113.714
flat angles C4'-P-C4' energy: -106.811
flat angles P-C4'-P energy: -69.172
tors. eta vs tors. theta energy: -110.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1347.241675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.241675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.241675 (E_RNA)
where:
Base-Base interactions energy: -860.750
where: short stacking energy: -377.765
Base-Backbone interact. energy: 0.946
local terms energy: -487.438082
where:
bonds (distance) C4'-P energy: -98.831
bonds (distance) P-C4' energy: -111.311
flat angles C4'-P-C4' energy: -100.558
flat angles P-C4'-P energy: -74.790
tors. eta vs tors. theta energy: -101.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1045.379994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.379994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.379994 (E_RNA)
where:
Base-Base interactions energy: -676.187
where: short stacking energy: -326.341
Base-Backbone interact. energy: 0.180
local terms energy: -369.373007
where:
bonds (distance) C4'-P energy: -86.934
bonds (distance) P-C4' energy: -93.967
flat angles C4'-P-C4' energy: -92.096
flat angles P-C4'-P energy: -42.499
tors. eta vs tors. theta energy: -53.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -965.898605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.898605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.898605 (E_RNA)
where:
Base-Base interactions energy: -593.624
where: short stacking energy: -259.224
Base-Backbone interact. energy: -1.688
local terms energy: -370.587108
where:
bonds (distance) C4'-P energy: -104.662
bonds (distance) P-C4' energy: -103.800
flat angles C4'-P-C4' energy: -92.197
flat angles P-C4'-P energy: -42.061
tors. eta vs tors. theta energy: -27.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -484.553253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.553253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.553253 (E_RNA)
where:
Base-Base interactions energy: -171.562
where: short stacking energy: -133.384
Base-Backbone interact. energy: 3.432
local terms energy: -316.423310
where:
bonds (distance) C4'-P energy: -101.824
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -80.741
flat angles P-C4'-P energy: -49.725
tors. eta vs tors. theta energy: 13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2092.978506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.978506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.978506 (E_RNA)
where:
Base-Base interactions energy: -1447.528
where: short stacking energy: -614.842
Base-Backbone interact. energy: -0.559
local terms energy: -644.891090
where:
bonds (distance) C4'-P energy: -127.628
bonds (distance) P-C4' energy: -122.133
flat angles C4'-P-C4' energy: -128.711
flat angles P-C4'-P energy: -93.787
tors. eta vs tors. theta energy: -172.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2011.169476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.169476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.169476 (E_RNA)
where:
Base-Base interactions energy: -1411.875
where: short stacking energy: -578.641
Base-Backbone interact. energy: -2.722
local terms energy: -596.572492
where:
bonds (distance) C4'-P energy: -117.138
bonds (distance) P-C4' energy: -113.749
flat angles C4'-P-C4' energy: -126.639
flat angles P-C4'-P energy: -85.642
tors. eta vs tors. theta energy: -153.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1828.536440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.536440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.536440 (E_RNA)
where:
Base-Base interactions energy: -1247.710
where: short stacking energy: -504.065
Base-Backbone interact. energy: -1.438
local terms energy: -579.388805
where:
bonds (distance) C4'-P energy: -119.296
bonds (distance) P-C4' energy: -112.965
flat angles C4'-P-C4' energy: -119.671
flat angles P-C4'-P energy: -83.687
tors. eta vs tors. theta energy: -143.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1741.167714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.167714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.167714 (E_RNA)
where:
Base-Base interactions energy: -1189.690
where: short stacking energy: -510.272
Base-Backbone interact. energy: -1.486
local terms energy: -549.991628
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -97.373
flat angles C4'-P-C4' energy: -122.672
flat angles P-C4'-P energy: -84.757
tors. eta vs tors. theta energy: -152.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1724.447346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.447346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.447346 (E_RNA)
where:
Base-Base interactions energy: -1187.341
where: short stacking energy: -508.378
Base-Backbone interact. energy: 0.202
local terms energy: -537.308047
where:
bonds (distance) C4'-P energy: -81.198
bonds (distance) P-C4' energy: -116.436
flat angles C4'-P-C4' energy: -111.942
flat angles P-C4'-P energy: -74.352
tors. eta vs tors. theta energy: -153.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1522.717280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.717280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.717280 (E_RNA)
where:
Base-Base interactions energy: -1022.715
where: short stacking energy: -425.846
Base-Backbone interact. energy: -1.096
local terms energy: -498.906401
where:
bonds (distance) C4'-P energy: -97.608
bonds (distance) P-C4' energy: -103.763
flat angles C4'-P-C4' energy: -100.615
flat angles P-C4'-P energy: -81.720
tors. eta vs tors. theta energy: -115.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1382.708976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.708976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.708976 (E_RNA)
where:
Base-Base interactions energy: -914.878
where: short stacking energy: -403.379
Base-Backbone interact. energy: -1.210
local terms energy: -466.620797
where:
bonds (distance) C4'-P energy: -87.676
bonds (distance) P-C4' energy: -98.348
flat angles C4'-P-C4' energy: -114.241
flat angles P-C4'-P energy: -68.251
tors. eta vs tors. theta energy: -98.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1036.236523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.236523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.236523 (E_RNA)
where:
Base-Base interactions energy: -649.677
where: short stacking energy: -284.954
Base-Backbone interact. energy: -2.511
local terms energy: -384.048429
where:
bonds (distance) C4'-P energy: -108.872
bonds (distance) P-C4' energy: -107.686
flat angles C4'-P-C4' energy: -91.407
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -31.420
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: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -930.140919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.140919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.140919 (E_RNA)
where:
Base-Base interactions energy: -577.761
where: short stacking energy: -246.379
Base-Backbone interact. energy: -0.072
local terms energy: -352.308542
where:
bonds (distance) C4'-P energy: -92.172
bonds (distance) P-C4' energy: -80.178
flat angles C4'-P-C4' energy: -108.938
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -506.057640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.057640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.057640 (E_RNA)
where:
Base-Base interactions energy: -234.594
where: short stacking energy: -155.843
Base-Backbone interact. energy: -1.559
local terms energy: -269.905457
where:
bonds (distance) C4'-P energy: -95.380
bonds (distance) P-C4' energy: -74.058
flat angles C4'-P-C4' energy: -87.492
flat angles P-C4'-P energy: -32.814
tors. eta vs tors. theta energy: 19.838
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2060.468702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.468702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.468702 (E_RNA)
where:
Base-Base interactions energy: -1446.269
where: short stacking energy: -620.892
Base-Backbone interact. energy: -0.490
local terms energy: -613.709911
where:
bonds (distance) C4'-P energy: -118.309
bonds (distance) P-C4' energy: -120.159
flat angles C4'-P-C4' energy: -119.651
flat angles P-C4'-P energy: -80.265
tors. eta vs tors. theta energy: -175.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1987.439551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.439551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.439551 (E_RNA)
where:
Base-Base interactions energy: -1365.278
where: short stacking energy: -544.059
Base-Backbone interact. energy: -3.326
local terms energy: -618.835738
where:
bonds (distance) C4'-P energy: -117.956
bonds (distance) P-C4' energy: -118.687
flat angles C4'-P-C4' energy: -121.934
flat angles P-C4'-P energy: -89.292
tors. eta vs tors. theta energy: -170.967
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: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1839.975263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.975263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.975263 (E_RNA)
where:
Base-Base interactions energy: -1277.936
where: short stacking energy: -515.893
Base-Backbone interact. energy: 1.486
local terms energy: -563.524976
where:
bonds (distance) C4'-P energy: -116.868
bonds (distance) P-C4' energy: -100.219
flat angles C4'-P-C4' energy: -128.528
flat angles P-C4'-P energy: -77.817
tors. eta vs tors. theta energy: -140.092
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: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1775.805660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.805660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.805660 (E_RNA)
where:
Base-Base interactions energy: -1206.133
where: short stacking energy: -507.341
Base-Backbone interact. energy: -0.225
local terms energy: -569.447650
where:
bonds (distance) C4'-P energy: -108.920
bonds (distance) P-C4' energy: -99.009
flat angles C4'-P-C4' energy: -137.508
flat angles P-C4'-P energy: -75.823
tors. eta vs tors. theta energy: -148.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1720.968057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.968057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.968057 (E_RNA)
where:
Base-Base interactions energy: -1163.152
where: short stacking energy: -492.859
Base-Backbone interact. energy: -1.239
local terms energy: -556.577701
where:
bonds (distance) C4'-P energy: -98.819
bonds (distance) P-C4' energy: -116.033
flat angles C4'-P-C4' energy: -122.535
flat angles P-C4'-P energy: -77.620
tors. eta vs tors. theta energy: -141.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1509.939913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.939913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.939913 (E_RNA)
where:
Base-Base interactions energy: -1015.249
where: short stacking energy: -444.282
Base-Backbone interact. energy: -1.645
local terms energy: -493.046203
where:
bonds (distance) C4'-P energy: -89.303
bonds (distance) P-C4' energy: -106.915
flat angles C4'-P-C4' energy: -117.485
flat angles P-C4'-P energy: -67.627
tors. eta vs tors. theta energy: -111.716
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: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1365.914235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.914235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.914235 (E_RNA)
where:
Base-Base interactions energy: -902.814
where: short stacking energy: -380.764
Base-Backbone interact. energy: 1.353
local terms energy: -464.453708
where:
bonds (distance) C4'-P energy: -101.419
bonds (distance) P-C4' energy: -92.640
flat angles C4'-P-C4' energy: -105.502
flat angles P-C4'-P energy: -65.125
tors. eta vs tors. theta energy: -99.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1039.366431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.366431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.366431 (E_RNA)
where:
Base-Base interactions energy: -635.468
where: short stacking energy: -304.954
Base-Backbone interact. energy: 0.018
local terms energy: -403.916416
where:
bonds (distance) C4'-P energy: -86.600
bonds (distance) P-C4' energy: -117.091
flat angles C4'-P-C4' energy: -104.492
flat angles P-C4'-P energy: -41.718
tors. eta vs tors. theta energy: -54.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -950.220356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.220356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.220356 (E_RNA)
where:
Base-Base interactions energy: -593.387
where: short stacking energy: -252.936
Base-Backbone interact. energy: -0.943
local terms energy: -355.890796
where:
bonds (distance) C4'-P energy: -103.519
bonds (distance) P-C4' energy: -83.593
flat angles C4'-P-C4' energy: -86.032
flat angles P-C4'-P energy: -46.940
tors. eta vs tors. theta energy: -35.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -481.391967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.391967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.391967 (E_RNA)
where:
Base-Base interactions energy: -193.149
where: short stacking energy: -134.475
Base-Backbone interact. energy: -1.717
local terms energy: -286.525924
where:
bonds (distance) C4'-P energy: -96.178
bonds (distance) P-C4' energy: -87.581
flat angles C4'-P-C4' energy: -75.422
flat angles P-C4'-P energy: -46.606
tors. eta vs tors. theta energy: 19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2071.066001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.066001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.066001 (E_RNA)
where:
Base-Base interactions energy: -1439.798
where: short stacking energy: -607.950
Base-Backbone interact. energy: -0.803
local terms energy: -630.465026
where:
bonds (distance) C4'-P energy: -116.853
bonds (distance) P-C4' energy: -123.524
flat angles C4'-P-C4' energy: -136.554
flat angles P-C4'-P energy: -75.075
tors. eta vs tors. theta energy: -178.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2021.576597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.576597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.576597 (E_RNA)
where:
Base-Base interactions energy: -1416.993
where: short stacking energy: -577.175
Base-Backbone interact. energy: -0.705
local terms energy: -603.879119
where:
bonds (distance) C4'-P energy: -102.180
bonds (distance) P-C4' energy: -105.108
flat angles C4'-P-C4' energy: -131.287
flat angles P-C4'-P energy: -89.950
tors. eta vs tors. theta energy: -175.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1861.451183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.451183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.451183 (E_RNA)
where:
Base-Base interactions energy: -1271.541
where: short stacking energy: -532.673
Base-Backbone interact. energy: -1.289
local terms energy: -588.621275
where:
bonds (distance) C4'-P energy: -111.346
bonds (distance) P-C4' energy: -114.145
flat angles C4'-P-C4' energy: -128.003
flat angles P-C4'-P energy: -80.338
tors. eta vs tors. theta energy: -154.789
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: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1767.001633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.001633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.001633 (E_RNA)
where:
Base-Base interactions energy: -1203.284
where: short stacking energy: -511.882
Base-Backbone interact. energy: 1.072
local terms energy: -564.789259
where:
bonds (distance) C4'-P energy: -99.128
bonds (distance) P-C4' energy: -97.290
flat angles C4'-P-C4' energy: -129.610
flat angles P-C4'-P energy: -85.637
tors. eta vs tors. theta energy: -153.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1706.619913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.619913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.619913 (E_RNA)
where:
Base-Base interactions energy: -1150.196
where: short stacking energy: -518.848
Base-Backbone interact. energy: -2.063
local terms energy: -554.360675
where:
bonds (distance) C4'-P energy: -107.235
bonds (distance) P-C4' energy: -93.719
flat angles C4'-P-C4' energy: -126.597
flat angles P-C4'-P energy: -82.385
tors. eta vs tors. theta energy: -144.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1537.888286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.888286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.888286 (E_RNA)
where:
Base-Base interactions energy: -1013.081
where: short stacking energy: -443.565
Base-Backbone interact. energy: -1.680
local terms energy: -523.126855
where:
bonds (distance) C4'-P energy: -90.995
bonds (distance) P-C4' energy: -118.077
flat angles C4'-P-C4' energy: -116.615
flat angles P-C4'-P energy: -73.045
tors. eta vs tors. theta energy: -124.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1269.893388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.893388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.893388 (E_RNA)
where:
Base-Base interactions energy: -843.958
where: short stacking energy: -380.124
Base-Backbone interact. energy: 2.596
local terms energy: -428.531054
where:
bonds (distance) C4'-P energy: -109.447
bonds (distance) P-C4' energy: -90.481
flat angles C4'-P-C4' energy: -88.690
flat angles P-C4'-P energy: -61.647
tors. eta vs tors. theta energy: -78.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1075.587454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.587454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.587454 (E_RNA)
where:
Base-Base interactions energy: -665.647
where: short stacking energy: -322.488
Base-Backbone interact. energy: 4.271
local terms energy: -414.211436
where:
bonds (distance) C4'-P energy: -100.232
bonds (distance) P-C4' energy: -99.259
flat angles C4'-P-C4' energy: -97.587
flat angles P-C4'-P energy: -62.550
tors. eta vs tors. theta energy: -54.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -950.746793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.746793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.746793 (E_RNA)
where:
Base-Base interactions energy: -580.003
where: short stacking energy: -262.638
Base-Backbone interact. energy: 0.540
local terms energy: -371.283980
where:
bonds (distance) C4'-P energy: -88.715
bonds (distance) P-C4' energy: -107.073
flat angles C4'-P-C4' energy: -98.363
flat angles P-C4'-P energy: -55.139
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -429.302820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.302820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.302820 (E_RNA)
where:
Base-Base interactions energy: -121.431
where: short stacking energy: -106.525
Base-Backbone interact. energy: 2.646
local terms energy: -310.518154
where:
bonds (distance) C4'-P energy: -93.856
bonds (distance) P-C4' energy: -105.844
flat angles C4'-P-C4' energy: -76.606
flat angles P-C4'-P energy: -54.167
tors. eta vs tors. theta energy: 19.956
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: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2086.804759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.804759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.804759 (E_RNA)
where:
Base-Base interactions energy: -1465.605
where: short stacking energy: -617.835
Base-Backbone interact. energy: 0.582
local terms energy: -621.782089
where:
bonds (distance) C4'-P energy: -116.593
bonds (distance) P-C4' energy: -112.159
flat angles C4'-P-C4' energy: -128.067
flat angles P-C4'-P energy: -89.472
tors. eta vs tors. theta energy: -175.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1999.962446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.962446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.962446 (E_RNA)
where:
Base-Base interactions energy: -1416.051
where: short stacking energy: -598.784
Base-Backbone interact. energy: -2.680
local terms energy: -581.231838
where:
bonds (distance) C4'-P energy: -102.478
bonds (distance) P-C4' energy: -102.933
flat angles C4'-P-C4' energy: -116.835
flat angles P-C4'-P energy: -83.730
tors. eta vs tors. theta energy: -175.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1861.012939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.012939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.012939 (E_RNA)
where:
Base-Base interactions energy: -1269.610
where: short stacking energy: -537.073
Base-Backbone interact. energy: -1.662
local terms energy: -589.740372
where:
bonds (distance) C4'-P energy: -106.984
bonds (distance) P-C4' energy: -103.052
flat angles C4'-P-C4' energy: -129.697
flat angles P-C4'-P energy: -87.704
tors. eta vs tors. theta energy: -162.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1797.638558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.638558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.638558 (E_RNA)
where:
Base-Base interactions energy: -1199.776
where: short stacking energy: -518.504
Base-Backbone interact. energy: -1.723
local terms energy: -596.139998
where:
bonds (distance) C4'-P energy: -107.209
bonds (distance) P-C4' energy: -127.245
flat angles C4'-P-C4' energy: -126.068
flat angles P-C4'-P energy: -88.301
tors. eta vs tors. theta energy: -147.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1719.715490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.715490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.715490 (E_RNA)
where:
Base-Base interactions energy: -1142.079
where: short stacking energy: -524.775
Base-Backbone interact. energy: -1.839
local terms energy: -575.797422
where:
bonds (distance) C4'-P energy: -100.851
bonds (distance) P-C4' energy: -114.219
flat angles C4'-P-C4' energy: -124.457
flat angles P-C4'-P energy: -78.513
tors. eta vs tors. theta energy: -157.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1480.968055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.968055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.968055 (E_RNA)
where:
Base-Base interactions energy: -957.366
where: short stacking energy: -417.910
Base-Backbone interact. energy: -2.903
local terms energy: -520.698366
where:
bonds (distance) C4'-P energy: -101.468
bonds (distance) P-C4' energy: -106.266
flat angles C4'-P-C4' energy: -108.722
flat angles P-C4'-P energy: -85.584
tors. eta vs tors. theta energy: -118.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1247.624985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.624985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.624985 (E_RNA)
where:
Base-Base interactions energy: -791.390
where: short stacking energy: -337.273
Base-Backbone interact. energy: -0.783
local terms energy: -455.452008
where:
bonds (distance) C4'-P energy: -106.273
bonds (distance) P-C4' energy: -91.789
flat angles C4'-P-C4' energy: -98.983
flat angles P-C4'-P energy: -70.994
tors. eta vs tors. theta energy: -87.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1042.445894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.445894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.445894 (E_RNA)
where:
Base-Base interactions energy: -627.871
where: short stacking energy: -308.297
Base-Backbone interact. energy: -1.817
local terms energy: -412.758305
where:
bonds (distance) C4'-P energy: -96.597
bonds (distance) P-C4' energy: -89.495
flat angles C4'-P-C4' energy: -109.060
flat angles P-C4'-P energy: -48.333
tors. eta vs tors. theta energy: -69.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -898.627935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.627935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.627935 (E_RNA)
where:
Base-Base interactions energy: -545.584
where: short stacking energy: -256.571
Base-Backbone interact. energy: -1.274
local terms energy: -351.770202
where:
bonds (distance) C4'-P energy: -100.563
bonds (distance) P-C4' energy: -76.363
flat angles C4'-P-C4' energy: -97.225
flat angles P-C4'-P energy: -57.089
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -468.330272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.330272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.330272 (E_RNA)
where:
Base-Base interactions energy: -170.214
where: short stacking energy: -156.518
Base-Backbone interact. energy: -0.716
local terms energy: -297.399837
where:
bonds (distance) C4'-P energy: -95.969
bonds (distance) P-C4' energy: -105.103
flat angles C4'-P-C4' energy: -63.931
flat angles P-C4'-P energy: -49.063
tors. eta vs tors. theta energy: 16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2086.102288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.102288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.102288 (E_RNA)
where:
Base-Base interactions energy: -1437.388
where: short stacking energy: -596.624
Base-Backbone interact. energy: -1.293
local terms energy: -647.420844
where:
bonds (distance) C4'-P energy: -116.494
bonds (distance) P-C4' energy: -121.568
flat angles C4'-P-C4' energy: -140.686
flat angles P-C4'-P energy: -94.412
tors. eta vs tors. theta energy: -174.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2017.736767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.736767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.736767 (E_RNA)
where:
Base-Base interactions energy: -1414.901
where: short stacking energy: -557.612
Base-Backbone interact. energy: -3.743
local terms energy: -599.092259
where:
bonds (distance) C4'-P energy: -104.686
bonds (distance) P-C4' energy: -117.807
flat angles C4'-P-C4' energy: -132.617
flat angles P-C4'-P energy: -81.014
tors. eta vs tors. theta energy: -162.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1852.881535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.881535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.881535 (E_RNA)
where:
Base-Base interactions energy: -1239.632
where: short stacking energy: -537.212
Base-Backbone interact. energy: -1.636
local terms energy: -611.613725
where:
bonds (distance) C4'-P energy: -115.287
bonds (distance) P-C4' energy: -114.397
flat angles C4'-P-C4' energy: -137.057
flat angles P-C4'-P energy: -77.766
tors. eta vs tors. theta energy: -167.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1765.111564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.111564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.111564 (E_RNA)
where:
Base-Base interactions energy: -1207.082
where: short stacking energy: -514.928
Base-Backbone interact. energy: -1.443
local terms energy: -556.587135
where:
bonds (distance) C4'-P energy: -106.233
bonds (distance) P-C4' energy: -104.408
flat angles C4'-P-C4' energy: -132.628
flat angles P-C4'-P energy: -82.104
tors. eta vs tors. theta energy: -131.214
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: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1724.167954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.167954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.167954 (E_RNA)
where:
Base-Base interactions energy: -1148.476
where: short stacking energy: -500.039
Base-Backbone interact. energy: 2.299
local terms energy: -577.990653
where:
bonds (distance) C4'-P energy: -103.819
bonds (distance) P-C4' energy: -111.210
flat angles C4'-P-C4' energy: -132.395
flat angles P-C4'-P energy: -84.166
tors. eta vs tors. theta energy: -146.401
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: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1482.505488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.505488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.505488 (E_RNA)
where:
Base-Base interactions energy: -977.452
where: short stacking energy: -449.462
Base-Backbone interact. energy: -2.275
local terms energy: -502.778869
where:
bonds (distance) C4'-P energy: -98.499
bonds (distance) P-C4' energy: -108.701
flat angles C4'-P-C4' energy: -97.490
flat angles P-C4'-P energy: -77.321
tors. eta vs tors. theta energy: -120.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1273.321623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.321623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.321623 (E_RNA)
where:
Base-Base interactions energy: -795.827
where: short stacking energy: -355.375
Base-Backbone interact. energy: -1.925
local terms energy: -475.569429
where:
bonds (distance) C4'-P energy: -103.037
bonds (distance) P-C4' energy: -109.938
flat angles C4'-P-C4' energy: -106.593
flat angles P-C4'-P energy: -70.359
tors. eta vs tors. theta energy: -85.643
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: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1064.400219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.400219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.400219 (E_RNA)
where:
Base-Base interactions energy: -662.198
where: short stacking energy: -322.639
Base-Backbone interact. energy: -4.043
local terms energy: -398.159138
where:
bonds (distance) C4'-P energy: -84.289
bonds (distance) P-C4' energy: -98.690
flat angles C4'-P-C4' energy: -97.780
flat angles P-C4'-P energy: -61.890
tors. eta vs tors. theta energy: -55.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -883.817360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.817360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.817360 (E_RNA)
where:
Base-Base interactions energy: -501.044
where: short stacking energy: -253.130
Base-Backbone interact. energy: -0.913
local terms energy: -381.860280
where:
bonds (distance) C4'-P energy: -85.310
bonds (distance) P-C4' energy: -93.211
flat angles C4'-P-C4' energy: -96.135
flat angles P-C4'-P energy: -62.802
tors. eta vs tors. theta energy: -44.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -458.498399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.498399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.498399 (E_RNA)
where:
Base-Base interactions energy: -170.126
where: short stacking energy: -157.169
Base-Backbone interact. energy: -1.862
local terms energy: -286.510451
where:
bonds (distance) C4'-P energy: -85.666
bonds (distance) P-C4' energy: -85.593
flat angles C4'-P-C4' energy: -95.979
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: 14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2047.323919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.323919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.323919 (E_RNA)
where:
Base-Base interactions energy: -1413.743
where: short stacking energy: -556.242
Base-Backbone interact. energy: -4.363
local terms energy: -629.218182
where:
bonds (distance) C4'-P energy: -117.286
bonds (distance) P-C4' energy: -123.757
flat angles C4'-P-C4' energy: -129.065
flat angles P-C4'-P energy: -89.769
tors. eta vs tors. theta energy: -169.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2017.985511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.985511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.985511 (E_RNA)
where:
Base-Base interactions energy: -1402.887
where: short stacking energy: -579.354
Base-Backbone interact. energy: -0.631
local terms energy: -614.467721
where:
bonds (distance) C4'-P energy: -122.756
bonds (distance) P-C4' energy: -108.158
flat angles C4'-P-C4' energy: -129.926
flat angles P-C4'-P energy: -78.253
tors. eta vs tors. theta energy: -175.375
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: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1852.913281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.913281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.913281 (E_RNA)
where:
Base-Base interactions energy: -1264.672
where: short stacking energy: -543.090
Base-Backbone interact. energy: 1.495
local terms energy: -589.736260
where:
bonds (distance) C4'-P energy: -111.485
bonds (distance) P-C4' energy: -104.361
flat angles C4'-P-C4' energy: -131.650
flat angles P-C4'-P energy: -82.710
tors. eta vs tors. theta energy: -159.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1778.829663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.829663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.829663 (E_RNA)
where:
Base-Base interactions energy: -1242.708
where: short stacking energy: -527.610
Base-Backbone interact. energy: -2.340
local terms energy: -533.781313
where:
bonds (distance) C4'-P energy: -92.057
bonds (distance) P-C4' energy: -102.866
flat angles C4'-P-C4' energy: -111.163
flat angles P-C4'-P energy: -77.055
tors. eta vs tors. theta energy: -150.640
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: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1698.472317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.472317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.472317 (E_RNA)
where:
Base-Base interactions energy: -1134.577
where: short stacking energy: -515.550
Base-Backbone interact. energy: 0.206
local terms energy: -564.102136
where:
bonds (distance) C4'-P energy: -120.234
bonds (distance) P-C4' energy: -103.955
flat angles C4'-P-C4' energy: -115.415
flat angles P-C4'-P energy: -74.889
tors. eta vs tors. theta energy: -149.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1521.788832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.788832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.788832 (E_RNA)
where:
Base-Base interactions energy: -1002.517
where: short stacking energy: -435.737
Base-Backbone interact. energy: -1.557
local terms energy: -517.714589
where:
bonds (distance) C4'-P energy: -95.524
bonds (distance) P-C4' energy: -105.674
flat angles C4'-P-C4' energy: -116.399
flat angles P-C4'-P energy: -75.761
tors. eta vs tors. theta energy: -124.358
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: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1369.586495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.586495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.586495 (E_RNA)
where:
Base-Base interactions energy: -893.138
where: short stacking energy: -400.143
Base-Backbone interact. energy: 0.477
local terms energy: -476.925724
where:
bonds (distance) C4'-P energy: -109.205
bonds (distance) P-C4' energy: -98.376
flat angles C4'-P-C4' energy: -113.991
flat angles P-C4'-P energy: -53.210
tors. eta vs tors. theta energy: -102.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1062.109561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.109561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.109561 (E_RNA)
where:
Base-Base interactions energy: -650.778
where: short stacking energy: -293.807
Base-Backbone interact. energy: -2.276
local terms energy: -409.056331
where:
bonds (distance) C4'-P energy: -80.845
bonds (distance) P-C4' energy: -118.729
flat angles C4'-P-C4' energy: -94.546
flat angles P-C4'-P energy: -60.205
tors. eta vs tors. theta energy: -54.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -888.964929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.964929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.964929 (E_RNA)
where:
Base-Base interactions energy: -526.625
where: short stacking energy: -270.540
Base-Backbone interact. energy: -3.978
local terms energy: -358.361836
where:
bonds (distance) C4'-P energy: -78.373
bonds (distance) P-C4' energy: -92.305
flat angles C4'-P-C4' energy: -89.031
flat angles P-C4'-P energy: -58.860
tors. eta vs tors. theta energy: -39.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -448.073539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.073539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.073539 (E_RNA)
where:
Base-Base interactions energy: -134.029
where: short stacking energy: -119.895
Base-Backbone interact. energy: -1.967
local terms energy: -312.077112
where:
bonds (distance) C4'-P energy: -106.768
bonds (distance) P-C4' energy: -86.093
flat angles C4'-P-C4' energy: -84.651
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: 4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2039.323894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.323894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.323894 (E_RNA)
where:
Base-Base interactions energy: -1410.259
where: short stacking energy: -572.248
Base-Backbone interact. energy: -2.253
local terms energy: -626.811767
where:
bonds (distance) C4'-P energy: -121.914
bonds (distance) P-C4' energy: -113.886
flat angles C4'-P-C4' energy: -128.659
flat angles P-C4'-P energy: -89.408
tors. eta vs tors. theta energy: -172.944
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: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1959.970423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.970423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.970423 (E_RNA)
where:
Base-Base interactions energy: -1331.110
where: short stacking energy: -559.787
Base-Backbone interact. energy: 0.124
local terms energy: -628.984738
where:
bonds (distance) C4'-P energy: -114.195
bonds (distance) P-C4' energy: -110.031
flat angles C4'-P-C4' energy: -143.116
flat angles P-C4'-P energy: -92.014
tors. eta vs tors. theta energy: -169.629
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: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1865.151245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.151245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.151245 (E_RNA)
where:
Base-Base interactions energy: -1290.409
where: short stacking energy: -543.735
Base-Backbone interact. energy: -1.606
local terms energy: -573.136704
where:
bonds (distance) C4'-P energy: -96.049
bonds (distance) P-C4' energy: -111.122
flat angles C4'-P-C4' energy: -122.938
flat angles P-C4'-P energy: -81.266
tors. eta vs tors. theta energy: -161.762
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: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1792.825187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.825187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.825187 (E_RNA)
where:
Base-Base interactions energy: -1227.924
where: short stacking energy: -531.560
Base-Backbone interact. energy: 1.010
local terms energy: -565.911159
where:
bonds (distance) C4'-P energy: -116.373
bonds (distance) P-C4' energy: -107.841
flat angles C4'-P-C4' energy: -120.861
flat angles P-C4'-P energy: -73.793
tors. eta vs tors. theta energy: -147.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1767.107074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.107074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.107074 (E_RNA)
where:
Base-Base interactions energy: -1207.520
where: short stacking energy: -527.580
Base-Backbone interact. energy: -1.736
local terms energy: -557.850804
where:
bonds (distance) C4'-P energy: -97.944
bonds (distance) P-C4' energy: -106.124
flat angles C4'-P-C4' energy: -128.157
flat angles P-C4'-P energy: -73.668
tors. eta vs tors. theta energy: -151.957
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: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1512.738981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.738981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.738981 (E_RNA)
where:
Base-Base interactions energy: -988.552
where: short stacking energy: -432.336
Base-Backbone interact. energy: 5.138
local terms energy: -529.324895
where:
bonds (distance) C4'-P energy: -99.588
bonds (distance) P-C4' energy: -102.838
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -81.507
tors. eta vs tors. theta energy: -120.377
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: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1337.230018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.230018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.230018 (E_RNA)
where:
Base-Base interactions energy: -884.997
where: short stacking energy: -387.763
Base-Backbone interact. energy: 0.248
local terms energy: -452.480833
where:
bonds (distance) C4'-P energy: -86.258
bonds (distance) P-C4' energy: -99.765
flat angles C4'-P-C4' energy: -106.314
flat angles P-C4'-P energy: -62.304
tors. eta vs tors. theta energy: -97.841
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: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1056.686901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.686901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.686901 (E_RNA)
where:
Base-Base interactions energy: -653.408
where: short stacking energy: -278.645
Base-Backbone interact. energy: -1.501
local terms energy: -401.778371
where:
bonds (distance) C4'-P energy: -112.299
bonds (distance) P-C4' energy: -106.226
flat angles C4'-P-C4' energy: -93.696
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: -34.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -831.667706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.667706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.667706 (E_RNA)
where:
Base-Base interactions energy: -449.186
where: short stacking energy: -243.097
Base-Backbone interact. energy: 2.727
local terms energy: -385.208535
where:
bonds (distance) C4'-P energy: -79.203
bonds (distance) P-C4' energy: -104.739
flat angles C4'-P-C4' energy: -100.181
flat angles P-C4'-P energy: -74.777
tors. eta vs tors. theta energy: -26.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -460.091544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.091544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.091544 (E_RNA)
where:
Base-Base interactions energy: -170.136
where: short stacking energy: -139.126
Base-Backbone interact. energy: 1.918
local terms energy: -291.873108
where:
bonds (distance) C4'-P energy: -98.843
bonds (distance) P-C4' energy: -89.359
flat angles C4'-P-C4' energy: -67.839
flat angles P-C4'-P energy: -44.612
tors. eta vs tors. theta energy: 8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2028.664097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.664097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.664097 (E_RNA)
where:
Base-Base interactions energy: -1402.490
where: short stacking energy: -587.721
Base-Backbone interact. energy: -0.058
local terms energy: -626.115983
where:
bonds (distance) C4'-P energy: -112.072
bonds (distance) P-C4' energy: -123.673
flat angles C4'-P-C4' energy: -139.238
flat angles P-C4'-P energy: -87.134
tors. eta vs tors. theta energy: -164.000
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: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1997.652123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.652123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.652123 (E_RNA)
where:
Base-Base interactions energy: -1406.844
where: short stacking energy: -576.305
Base-Backbone interact. energy: -1.419
local terms energy: -589.389908
where:
bonds (distance) C4'-P energy: -102.323
bonds (distance) P-C4' energy: -120.920
flat angles C4'-P-C4' energy: -133.674
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -158.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1852.966753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.966753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.966753 (E_RNA)
where:
Base-Base interactions energy: -1269.644
where: short stacking energy: -543.113
Base-Backbone interact. energy: -1.299
local terms energy: -582.023700
where:
bonds (distance) C4'-P energy: -118.770
bonds (distance) P-C4' energy: -111.792
flat angles C4'-P-C4' energy: -119.418
flat angles P-C4'-P energy: -76.607
tors. eta vs tors. theta energy: -155.438
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: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1788.324119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.324119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.324119 (E_RNA)
where:
Base-Base interactions energy: -1219.401
where: short stacking energy: -499.740
Base-Backbone interact. energy: 0.102
local terms energy: -569.025580
where:
bonds (distance) C4'-P energy: -111.507
bonds (distance) P-C4' energy: -118.102
flat angles C4'-P-C4' energy: -126.795
flat angles P-C4'-P energy: -70.046
tors. eta vs tors. theta energy: -142.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1739.430565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.430565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.430565 (E_RNA)
where:
Base-Base interactions energy: -1185.414
where: short stacking energy: -531.447
Base-Backbone interact. energy: -2.359
local terms energy: -551.657403
where:
bonds (distance) C4'-P energy: -102.205
bonds (distance) P-C4' energy: -101.586
flat angles C4'-P-C4' energy: -115.333
flat angles P-C4'-P energy: -79.372
tors. eta vs tors. theta energy: -153.161
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: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1499.087029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.087029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.087029 (E_RNA)
where:
Base-Base interactions energy: -1015.557
where: short stacking energy: -448.444
Base-Backbone interact. energy: -2.996
local terms energy: -480.533795
where:
bonds (distance) C4'-P energy: -97.969
bonds (distance) P-C4' energy: -82.752
flat angles C4'-P-C4' energy: -118.248
flat angles P-C4'-P energy: -66.647
tors. eta vs tors. theta energy: -114.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1294.946125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.946125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.946125 (E_RNA)
where:
Base-Base interactions energy: -817.557
where: short stacking energy: -376.078
Base-Backbone interact. energy: 0.942
local terms energy: -478.330943
where:
bonds (distance) C4'-P energy: -101.657
bonds (distance) P-C4' energy: -101.577
flat angles C4'-P-C4' energy: -107.885
flat angles P-C4'-P energy: -75.617
tors. eta vs tors. theta energy: -91.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1052.677830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.677830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.677830 (E_RNA)
where:
Base-Base interactions energy: -645.503
where: short stacking energy: -318.146
Base-Backbone interact. energy: -2.342
local terms energy: -404.832495
where:
bonds (distance) C4'-P energy: -100.677
bonds (distance) P-C4' energy: -101.472
flat angles C4'-P-C4' energy: -92.272
flat angles P-C4'-P energy: -48.667
tors. eta vs tors. theta energy: -61.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -776.534911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.534911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.534911 (E_RNA)
where:
Base-Base interactions energy: -420.995
where: short stacking energy: -227.100
Base-Backbone interact. energy: -2.638
local terms energy: -352.901536
where:
bonds (distance) C4'-P energy: -91.548
bonds (distance) P-C4' energy: -89.104
flat angles C4'-P-C4' energy: -87.482
flat angles P-C4'-P energy: -69.809
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -460.374717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.374717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.374717 (E_RNA)
where:
Base-Base interactions energy: -160.407
where: short stacking energy: -121.705
Base-Backbone interact. energy: -2.394
local terms energy: -297.574588
where:
bonds (distance) C4'-P energy: -100.926
bonds (distance) P-C4' energy: -93.028
flat angles C4'-P-C4' energy: -65.544
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: 9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1996.125589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.125589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.125589 (E_RNA)
where:
Base-Base interactions energy: -1358.128
where: short stacking energy: -576.707
Base-Backbone interact. energy: -2.011
local terms energy: -635.986169
where:
bonds (distance) C4'-P energy: -126.345
bonds (distance) P-C4' energy: -108.643
flat angles C4'-P-C4' energy: -141.905
flat angles P-C4'-P energy: -84.078
tors. eta vs tors. theta energy: -175.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2010.007236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.007236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.007236 (E_RNA)
where:
Base-Base interactions energy: -1394.111
where: short stacking energy: -570.259
Base-Backbone interact. energy: -2.160
local terms energy: -613.736033
where:
bonds (distance) C4'-P energy: -114.840
bonds (distance) P-C4' energy: -115.601
flat angles C4'-P-C4' energy: -137.054
flat angles P-C4'-P energy: -79.538
tors. eta vs tors. theta energy: -166.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1860.082695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.082695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.082695 (E_RNA)
where:
Base-Base interactions energy: -1280.137
where: short stacking energy: -523.355
Base-Backbone interact. energy: -2.208
local terms energy: -577.737569
where:
bonds (distance) C4'-P energy: -116.642
bonds (distance) P-C4' energy: -107.285
flat angles C4'-P-C4' energy: -125.672
flat angles P-C4'-P energy: -75.089
tors. eta vs tors. theta energy: -153.048
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: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1767.979557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.979557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.979557 (E_RNA)
where:
Base-Base interactions energy: -1228.796
where: short stacking energy: -512.889
Base-Backbone interact. energy: 0.521
local terms energy: -539.705362
where:
bonds (distance) C4'-P energy: -101.765
bonds (distance) P-C4' energy: -106.317
flat angles C4'-P-C4' energy: -115.336
flat angles P-C4'-P energy: -77.082
tors. eta vs tors. theta energy: -139.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1716.072598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.072598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.072598 (E_RNA)
where:
Base-Base interactions energy: -1157.047
where: short stacking energy: -502.720
Base-Backbone interact. energy: -3.747
local terms energy: -555.278605
where:
bonds (distance) C4'-P energy: -107.025
bonds (distance) P-C4' energy: -105.839
flat angles C4'-P-C4' energy: -122.886
flat angles P-C4'-P energy: -77.901
tors. eta vs tors. theta energy: -141.629
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: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1500.685332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.685332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.685332 (E_RNA)
where:
Base-Base interactions energy: -981.301
where: short stacking energy: -426.063
Base-Backbone interact. energy: -1.475
local terms energy: -517.909325
where:
bonds (distance) C4'-P energy: -110.303
bonds (distance) P-C4' energy: -93.584
flat angles C4'-P-C4' energy: -112.775
flat angles P-C4'-P energy: -79.247
tors. eta vs tors. theta energy: -122.001
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: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1305.396780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.396780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.396780 (E_RNA)
where:
Base-Base interactions energy: -847.005
where: short stacking energy: -385.951
Base-Backbone interact. energy: -1.254
local terms energy: -457.137344
where:
bonds (distance) C4'-P energy: -100.650
bonds (distance) P-C4' energy: -101.901
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -61.509
tors. eta vs tors. theta energy: -90.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1077.098228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.098228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.098228 (E_RNA)
where:
Base-Base interactions energy: -659.778
where: short stacking energy: -304.026
Base-Backbone interact. energy: 0.949
local terms energy: -418.268317
where:
bonds (distance) C4'-P energy: -102.689
bonds (distance) P-C4' energy: -87.131
flat angles C4'-P-C4' energy: -88.799
flat angles P-C4'-P energy: -79.417
tors. eta vs tors. theta energy: -60.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -669.218211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.218211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.218211 (E_RNA)
where:
Base-Base interactions energy: -340.951
where: short stacking energy: -176.562
Base-Backbone interact. energy: -1.636
local terms energy: -326.631936
where:
bonds (distance) C4'-P energy: -88.799
bonds (distance) P-C4' energy: -103.042
flat angles C4'-P-C4' energy: -87.376
flat angles P-C4'-P energy: -44.093
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -477.904427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.904427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.904427 (E_RNA)
where:
Base-Base interactions energy: -185.895
where: short stacking energy: -153.066
Base-Backbone interact. energy: -0.058
local terms energy: -291.951644
where:
bonds (distance) C4'-P energy: -92.782
bonds (distance) P-C4' energy: -92.766
flat angles C4'-P-C4' energy: -72.634
flat angles P-C4'-P energy: -44.053
tors. eta vs tors. theta energy: 10.284
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: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2048.147944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.147944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.147944 (E_RNA)
where:
Base-Base interactions energy: -1421.440
where: short stacking energy: -573.592
Base-Backbone interact. energy: 0.102
local terms energy: -626.809811
where:
bonds (distance) C4'-P energy: -109.251
bonds (distance) P-C4' energy: -121.653
flat angles C4'-P-C4' energy: -136.135
flat angles P-C4'-P energy: -89.174
tors. eta vs tors. theta energy: -170.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1980.202412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.202412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.202412 (E_RNA)
where:
Base-Base interactions energy: -1382.533
where: short stacking energy: -589.307
Base-Backbone interact. energy: -1.490
local terms energy: -596.179010
where:
bonds (distance) C4'-P energy: -110.520
bonds (distance) P-C4' energy: -104.914
flat angles C4'-P-C4' energy: -132.511
flat angles P-C4'-P energy: -73.631
tors. eta vs tors. theta energy: -174.604
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: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1893.342555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.342555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.342555 (E_RNA)
where:
Base-Base interactions energy: -1295.858
where: short stacking energy: -552.924
Base-Backbone interact. energy: -1.400
local terms energy: -596.084141
where:
bonds (distance) C4'-P energy: -111.163
bonds (distance) P-C4' energy: -115.025
flat angles C4'-P-C4' energy: -131.971
flat angles P-C4'-P energy: -83.347
tors. eta vs tors. theta energy: -154.579
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: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1800.570859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.570859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.570859 (E_RNA)
where:
Base-Base interactions energy: -1237.315
where: short stacking energy: -518.820
Base-Backbone interact. energy: -2.361
local terms energy: -560.894722
where:
bonds (distance) C4'-P energy: -88.712
bonds (distance) P-C4' energy: -113.464
flat angles C4'-P-C4' energy: -120.580
flat angles P-C4'-P energy: -83.001
tors. eta vs tors. theta energy: -155.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1764.283950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.283950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.283950 (E_RNA)
where:
Base-Base interactions energy: -1201.609
where: short stacking energy: -532.020
Base-Backbone interact. energy: -1.484
local terms energy: -561.190513
where:
bonds (distance) C4'-P energy: -102.171
bonds (distance) P-C4' energy: -110.879
flat angles C4'-P-C4' energy: -124.344
flat angles P-C4'-P energy: -80.926
tors. eta vs tors. theta energy: -142.870
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: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1536.606887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.606887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.606887 (E_RNA)
where:
Base-Base interactions energy: -1014.733
where: short stacking energy: -456.933
Base-Backbone interact. energy: -1.580
local terms energy: -520.293811
where:
bonds (distance) C4'-P energy: -106.262
bonds (distance) P-C4' energy: -110.513
flat angles C4'-P-C4' energy: -109.991
flat angles P-C4'-P energy: -63.326
tors. eta vs tors. theta energy: -130.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1297.023074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.023074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.023074 (E_RNA)
where:
Base-Base interactions energy: -854.180
where: short stacking energy: -382.467
Base-Backbone interact. energy: -1.350
local terms energy: -441.492925
where:
bonds (distance) C4'-P energy: -85.272
bonds (distance) P-C4' energy: -112.791
flat angles C4'-P-C4' energy: -92.397
flat angles P-C4'-P energy: -64.429
tors. eta vs tors. theta energy: -86.603
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: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1061.843831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.843831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.843831 (E_RNA)
where:
Base-Base interactions energy: -651.327
where: short stacking energy: -323.592
Base-Backbone interact. energy: 0.083
local terms energy: -410.599496
where:
bonds (distance) C4'-P energy: -93.165
bonds (distance) P-C4' energy: -109.326
flat angles C4'-P-C4' energy: -97.586
flat angles P-C4'-P energy: -53.007
tors. eta vs tors. theta energy: -57.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -651.365703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.365703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.365703 (E_RNA)
where:
Base-Base interactions energy: -310.452
where: short stacking energy: -187.174
Base-Backbone interact. energy: -3.358
local terms energy: -337.555115
where:
bonds (distance) C4'-P energy: -101.396
bonds (distance) P-C4' energy: -87.603
flat angles C4'-P-C4' energy: -87.840
flat angles P-C4'-P energy: -44.534
tors. eta vs tors. theta energy: -16.182
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: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -444.645063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.645063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.645063 (E_RNA)
where:
Base-Base interactions energy: -119.784
where: short stacking energy: -106.650
Base-Backbone interact. energy: -0.305
local terms energy: -324.555827
where:
bonds (distance) C4'-P energy: -100.806
bonds (distance) P-C4' energy: -95.246
flat angles C4'-P-C4' energy: -87.921
flat angles P-C4'-P energy: -51.325
tors. eta vs tors. theta energy: 10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2029.429487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.429487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.429487 (E_RNA)
where:
Base-Base interactions energy: -1391.365
where: short stacking energy: -567.785
Base-Backbone interact. energy: -4.922
local terms energy: -633.142930
where:
bonds (distance) C4'-P energy: -130.239
bonds (distance) P-C4' energy: -111.299
flat angles C4'-P-C4' energy: -133.512
flat angles P-C4'-P energy: -88.638
tors. eta vs tors. theta energy: -169.454
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: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1969.523522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.523522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.523522 (E_RNA)
where:
Base-Base interactions energy: -1350.789
where: short stacking energy: -566.823
Base-Backbone interact. energy: -1.508
local terms energy: -617.225957
where:
bonds (distance) C4'-P energy: -119.970
bonds (distance) P-C4' energy: -101.395
flat angles C4'-P-C4' energy: -131.559
flat angles P-C4'-P energy: -91.946
tors. eta vs tors. theta energy: -172.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1865.032667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.032667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.032667 (E_RNA)
where:
Base-Base interactions energy: -1290.394
where: short stacking energy: -537.349
Base-Backbone interact. energy: -1.683
local terms energy: -572.955824
where:
bonds (distance) C4'-P energy: -107.833
bonds (distance) P-C4' energy: -96.802
flat angles C4'-P-C4' energy: -134.949
flat angles P-C4'-P energy: -82.931
tors. eta vs tors. theta energy: -150.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1779.977445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.977445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.977445 (E_RNA)
where:
Base-Base interactions energy: -1214.215
where: short stacking energy: -515.801
Base-Backbone interact. energy: -2.622
local terms energy: -563.140163
where:
bonds (distance) C4'-P energy: -113.441
bonds (distance) P-C4' energy: -112.946
flat angles C4'-P-C4' energy: -124.991
flat angles P-C4'-P energy: -63.033
tors. eta vs tors. theta energy: -148.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1706.076870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.076870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.076870 (E_RNA)
where:
Base-Base interactions energy: -1158.058
where: short stacking energy: -507.983
Base-Backbone interact. energy: 0.578
local terms energy: -548.596658
where:
bonds (distance) C4'-P energy: -111.394
bonds (distance) P-C4' energy: -113.040
flat angles C4'-P-C4' energy: -100.655
flat angles P-C4'-P energy: -85.353
tors. eta vs tors. theta energy: -138.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1519.310836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.310836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.310836 (E_RNA)
where:
Base-Base interactions energy: -987.116
where: short stacking energy: -437.278
Base-Backbone interact. energy: -1.552
local terms energy: -530.643237
where:
bonds (distance) C4'-P energy: -107.671
bonds (distance) P-C4' energy: -110.023
flat angles C4'-P-C4' energy: -116.467
flat angles P-C4'-P energy: -65.709
tors. eta vs tors. theta energy: -130.773
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: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1269.360307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.360307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.360307 (E_RNA)
where:
Base-Base interactions energy: -800.708
where: short stacking energy: -382.338
Base-Backbone interact. energy: -1.356
local terms energy: -467.296376
where:
bonds (distance) C4'-P energy: -98.786
bonds (distance) P-C4' energy: -109.096
flat angles C4'-P-C4' energy: -106.218
flat angles P-C4'-P energy: -60.407
tors. eta vs tors. theta energy: -92.790
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: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1057.073853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.073853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.073853 (E_RNA)
where:
Base-Base interactions energy: -630.629
where: short stacking energy: -297.178
Base-Backbone interact. energy: -2.963
local terms energy: -423.481795
where:
bonds (distance) C4'-P energy: -79.800
bonds (distance) P-C4' energy: -107.506
flat angles C4'-P-C4' energy: -112.249
flat angles P-C4'-P energy: -58.085
tors. eta vs tors. theta energy: -65.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -597.754652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.754652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.754652 (E_RNA)
where:
Base-Base interactions energy: -249.808
where: short stacking energy: -154.544
Base-Backbone interact. energy: -3.902
local terms energy: -344.043691
where:
bonds (distance) C4'-P energy: -83.275
bonds (distance) P-C4' energy: -102.852
flat angles C4'-P-C4' energy: -104.093
flat angles P-C4'-P energy: -66.083
tors. eta vs tors. theta energy: 12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -444.154091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.154091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.154091 (E_RNA)
where:
Base-Base interactions energy: -127.136
where: short stacking energy: -106.584
Base-Backbone interact. energy: -2.153
local terms energy: -314.864554
where:
bonds (distance) C4'-P energy: -83.279
bonds (distance) P-C4' energy: -113.219
flat angles C4'-P-C4' energy: -77.706
flat angles P-C4'-P energy: -62.969
tors. eta vs tors. theta energy: 22.309
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: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2065.333423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.333423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.333423 (E_RNA)
where:
Base-Base interactions energy: -1443.110
where: short stacking energy: -580.388
Base-Backbone interact. energy: -2.011
local terms energy: -620.212582
where:
bonds (distance) C4'-P energy: -98.629
bonds (distance) P-C4' energy: -126.437
flat angles C4'-P-C4' energy: -126.856
flat angles P-C4'-P energy: -92.550
tors. eta vs tors. theta energy: -175.741
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: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2033.217439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.217439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.217439 (E_RNA)
where:
Base-Base interactions energy: -1418.176
where: short stacking energy: -585.434
Base-Backbone interact. energy: -2.783
local terms energy: -612.258537
where:
bonds (distance) C4'-P energy: -116.371
bonds (distance) P-C4' energy: -113.018
flat angles C4'-P-C4' energy: -122.640
flat angles P-C4'-P energy: -88.963
tors. eta vs tors. theta energy: -171.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1853.154639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.154639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.154639 (E_RNA)
where:
Base-Base interactions energy: -1247.488
where: short stacking energy: -533.638
Base-Backbone interact. energy: 1.238
local terms energy: -606.904196
where:
bonds (distance) C4'-P energy: -112.152
bonds (distance) P-C4' energy: -113.237
flat angles C4'-P-C4' energy: -134.814
flat angles P-C4'-P energy: -92.267
tors. eta vs tors. theta energy: -154.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1771.462772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.462772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.462772 (E_RNA)
where:
Base-Base interactions energy: -1218.990
where: short stacking energy: -500.750
Base-Backbone interact. energy: -4.330
local terms energy: -548.142777
where:
bonds (distance) C4'-P energy: -98.337
bonds (distance) P-C4' energy: -110.029
flat angles C4'-P-C4' energy: -119.643
flat angles P-C4'-P energy: -87.418
tors. eta vs tors. theta energy: -132.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1770.765373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.765373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.765373 (E_RNA)
where:
Base-Base interactions energy: -1223.047
where: short stacking energy: -540.962
Base-Backbone interact. energy: -1.873
local terms energy: -545.845607
where:
bonds (distance) C4'-P energy: -92.246
bonds (distance) P-C4' energy: -103.738
flat angles C4'-P-C4' energy: -116.078
flat angles P-C4'-P energy: -74.235
tors. eta vs tors. theta energy: -159.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1500.858349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.858349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.858349 (E_RNA)
where:
Base-Base interactions energy: -978.990
where: short stacking energy: -420.825
Base-Backbone interact. energy: -1.556
local terms energy: -520.311519
where:
bonds (distance) C4'-P energy: -98.002
bonds (distance) P-C4' energy: -100.249
flat angles C4'-P-C4' energy: -126.354
flat angles P-C4'-P energy: -83.376
tors. eta vs tors. theta energy: -112.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1328.848464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.848464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.848464 (E_RNA)
where:
Base-Base interactions energy: -843.694
where: short stacking energy: -363.973
Base-Backbone interact. energy: -1.081
local terms energy: -484.073790
where:
bonds (distance) C4'-P energy: -108.214
bonds (distance) P-C4' energy: -98.331
flat angles C4'-P-C4' energy: -102.197
flat angles P-C4'-P energy: -69.299
tors. eta vs tors. theta energy: -106.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1029.460282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.460282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.460282 (E_RNA)
where:
Base-Base interactions energy: -632.161
where: short stacking energy: -278.159
Base-Backbone interact. energy: 0.588
local terms energy: -397.886803
where:
bonds (distance) C4'-P energy: -90.587
bonds (distance) P-C4' energy: -96.442
flat angles C4'-P-C4' energy: -97.073
flat angles P-C4'-P energy: -78.062
tors. eta vs tors. theta energy: -35.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -618.041235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.041235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.041235 (E_RNA)
where:
Base-Base interactions energy: -290.318
where: short stacking energy: -187.291
Base-Backbone interact. energy: 4.708
local terms energy: -332.431052
where:
bonds (distance) C4'-P energy: -94.627
bonds (distance) P-C4' energy: -84.604
flat angles C4'-P-C4' energy: -76.886
flat angles P-C4'-P energy: -62.547
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -470.851988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.851988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.851988 (E_RNA)
where:
Base-Base interactions energy: -175.893
where: short stacking energy: -139.583
Base-Backbone interact. energy: -1.143
local terms energy: -293.815969
where:
bonds (distance) C4'-P energy: -74.014
bonds (distance) P-C4' energy: -84.872
flat angles C4'-P-C4' energy: -83.815
flat angles P-C4'-P energy: -56.369
tors. eta vs tors. theta energy: 5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2068.873430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.873430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.873430 (E_RNA)
where:
Base-Base interactions energy: -1437.589
where: short stacking energy: -580.615
Base-Backbone interact. energy: -1.575
local terms energy: -629.708949
where:
bonds (distance) C4'-P energy: -110.689
bonds (distance) P-C4' energy: -126.488
flat angles C4'-P-C4' energy: -140.031
flat angles P-C4'-P energy: -87.001
tors. eta vs tors. theta energy: -165.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2004.864802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.864802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.864802 (E_RNA)
where:
Base-Base interactions energy: -1382.356
where: short stacking energy: -584.256
Base-Backbone interact. energy: 4.411
local terms energy: -626.920230
where:
bonds (distance) C4'-P energy: -112.631
bonds (distance) P-C4' energy: -122.923
flat angles C4'-P-C4' energy: -133.340
flat angles P-C4'-P energy: -80.504
tors. eta vs tors. theta energy: -177.521
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: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1854.400081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.400081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.400081 (E_RNA)
where:
Base-Base interactions energy: -1262.969
where: short stacking energy: -547.826
Base-Backbone interact. energy: 1.394
local terms energy: -592.825040
where:
bonds (distance) C4'-P energy: -109.547
bonds (distance) P-C4' energy: -109.908
flat angles C4'-P-C4' energy: -123.658
flat angles P-C4'-P energy: -80.657
tors. eta vs tors. theta energy: -169.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1823.746590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.746590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.746590 (E_RNA)
where:
Base-Base interactions energy: -1217.934
where: short stacking energy: -542.738
Base-Backbone interact. energy: -3.092
local terms energy: -602.720159
where:
bonds (distance) C4'-P energy: -101.341
bonds (distance) P-C4' energy: -126.838
flat angles C4'-P-C4' energy: -128.308
flat angles P-C4'-P energy: -78.774
tors. eta vs tors. theta energy: -167.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1751.119896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.119896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.119896 (E_RNA)
where:
Base-Base interactions energy: -1217.276
where: short stacking energy: -484.823
Base-Backbone interact. energy: 4.457
local terms energy: -538.300450
where:
bonds (distance) C4'-P energy: -97.692
bonds (distance) P-C4' energy: -101.843
flat angles C4'-P-C4' energy: -117.811
flat angles P-C4'-P energy: -80.453
tors. eta vs tors. theta energy: -140.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1540.257579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.257579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.257579 (E_RNA)
where:
Base-Base interactions energy: -1019.537
where: short stacking energy: -424.350
Base-Backbone interact. energy: -2.572
local terms energy: -518.149093
where:
bonds (distance) C4'-P energy: -105.704
bonds (distance) P-C4' energy: -105.512
flat angles C4'-P-C4' energy: -114.802
flat angles P-C4'-P energy: -78.782
tors. eta vs tors. theta energy: -113.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1383.501655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.501655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.501655 (E_RNA)
where:
Base-Base interactions energy: -894.505
where: short stacking energy: -404.853
Base-Backbone interact. energy: 0.935
local terms energy: -489.931305
where:
bonds (distance) C4'-P energy: -111.317
bonds (distance) P-C4' energy: -90.464
flat angles C4'-P-C4' energy: -127.859
flat angles P-C4'-P energy: -60.306
tors. eta vs tors. theta energy: -99.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1093.744786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.744786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.744786 (E_RNA)
where:
Base-Base interactions energy: -657.918
where: short stacking energy: -297.233
Base-Backbone interact. energy: 0.608
local terms energy: -436.434486
where:
bonds (distance) C4'-P energy: -104.532
bonds (distance) P-C4' energy: -98.668
flat angles C4'-P-C4' energy: -118.977
flat angles P-C4'-P energy: -56.920
tors. eta vs tors. theta energy: -57.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -641.085285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.085285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.085285 (E_RNA)
where:
Base-Base interactions energy: -331.305
where: short stacking energy: -167.974
Base-Backbone interact. energy: -1.523
local terms energy: -308.257316
where:
bonds (distance) C4'-P energy: -97.820
bonds (distance) P-C4' energy: -92.625
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -53.913
tors. eta vs tors. theta energy: 5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -445.917450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.917450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.917450 (E_RNA)
where:
Base-Base interactions energy: -159.098
where: short stacking energy: -131.221
Base-Backbone interact. energy: 1.068
local terms energy: -287.887227
where:
bonds (distance) C4'-P energy: -87.086
bonds (distance) P-C4' energy: -104.824
flat angles C4'-P-C4' energy: -80.507
flat angles P-C4'-P energy: -49.750
tors. eta vs tors. theta energy: 34.280
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: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2075.191133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.191133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.191133 (E_RNA)
where:
Base-Base interactions energy: -1439.114
where: short stacking energy: -573.442
Base-Backbone interact. energy: -2.436
local terms energy: -633.641412
where:
bonds (distance) C4'-P energy: -113.300
bonds (distance) P-C4' energy: -122.780
flat angles C4'-P-C4' energy: -141.914
flat angles P-C4'-P energy: -96.447
tors. eta vs tors. theta energy: -159.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1983.894734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.894734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.894734 (E_RNA)
where:
Base-Base interactions energy: -1378.943
where: short stacking energy: -567.771
Base-Backbone interact. energy: -1.718
local terms energy: -603.233278
where:
bonds (distance) C4'-P energy: -112.965
bonds (distance) P-C4' energy: -117.532
flat angles C4'-P-C4' energy: -125.578
flat angles P-C4'-P energy: -85.069
tors. eta vs tors. theta energy: -162.089
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: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1865.220516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.220516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.220516 (E_RNA)
where:
Base-Base interactions energy: -1256.897
where: short stacking energy: -542.182
Base-Backbone interact. energy: -0.452
local terms energy: -607.871490
where:
bonds (distance) C4'-P energy: -117.221
bonds (distance) P-C4' energy: -113.446
flat angles C4'-P-C4' energy: -135.925
flat angles P-C4'-P energy: -75.283
tors. eta vs tors. theta energy: -165.997
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: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1817.575107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.575107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.575107 (E_RNA)
where:
Base-Base interactions energy: -1238.349
where: short stacking energy: -527.097
Base-Backbone interact. energy: -0.720
local terms energy: -578.506078
where:
bonds (distance) C4'-P energy: -113.990
bonds (distance) P-C4' energy: -105.020
flat angles C4'-P-C4' energy: -126.367
flat angles P-C4'-P energy: -73.871
tors. eta vs tors. theta energy: -159.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1730.317554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.317554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.317554 (E_RNA)
where:
Base-Base interactions energy: -1208.612
where: short stacking energy: -483.719
Base-Backbone interact. energy: -0.533
local terms energy: -521.172580
where:
bonds (distance) C4'-P energy: -96.540
bonds (distance) P-C4' energy: -97.433
flat angles C4'-P-C4' energy: -116.711
flat angles P-C4'-P energy: -74.558
tors. eta vs tors. theta energy: -135.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1547.063874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.063874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.063874 (E_RNA)
where:
Base-Base interactions energy: -1027.127
where: short stacking energy: -443.360
Base-Backbone interact. energy: -2.422
local terms energy: -517.514436
where:
bonds (distance) C4'-P energy: -97.494
bonds (distance) P-C4' energy: -108.493
flat angles C4'-P-C4' energy: -104.649
flat angles P-C4'-P energy: -79.734
tors. eta vs tors. theta energy: -127.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1377.893709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.893709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.893709 (E_RNA)
where:
Base-Base interactions energy: -896.430
where: short stacking energy: -376.487
Base-Backbone interact. energy: 2.198
local terms energy: -483.661698
where:
bonds (distance) C4'-P energy: -103.456
bonds (distance) P-C4' energy: -114.113
flat angles C4'-P-C4' energy: -100.720
flat angles P-C4'-P energy: -70.060
tors. eta vs tors. theta energy: -95.313
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: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1046.504615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.504615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.504615 (E_RNA)
where:
Base-Base interactions energy: -644.989
where: short stacking energy: -303.372
Base-Backbone interact. energy: -1.480
local terms energy: -400.035410
where:
bonds (distance) C4'-P energy: -85.349
bonds (distance) P-C4' energy: -99.351
flat angles C4'-P-C4' energy: -96.823
flat angles P-C4'-P energy: -66.440
tors. eta vs tors. theta energy: -52.071
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: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -665.857492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.857492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.857492 (E_RNA)
where:
Base-Base interactions energy: -334.098
where: short stacking energy: -194.280
Base-Backbone interact. energy: -0.819
local terms energy: -330.940021
where:
bonds (distance) C4'-P energy: -80.117
bonds (distance) P-C4' energy: -113.459
flat angles C4'-P-C4' energy: -62.257
flat angles P-C4'-P energy: -60.803
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -449.440058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.440058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.440058 (E_RNA)
where:
Base-Base interactions energy: -135.700
where: short stacking energy: -108.808
Base-Backbone interact. energy: 2.081
local terms energy: -315.821253
where:
bonds (distance) C4'-P energy: -97.398
bonds (distance) P-C4' energy: -106.753
flat angles C4'-P-C4' energy: -73.232
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: 18.301
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: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2084.886124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.886124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.886124 (E_RNA)
where:
Base-Base interactions energy: -1454.019
where: short stacking energy: -588.091
Base-Backbone interact. energy: -4.206
local terms energy: -626.660549
where:
bonds (distance) C4'-P energy: -116.921
bonds (distance) P-C4' energy: -100.675
flat angles C4'-P-C4' energy: -145.079
flat angles P-C4'-P energy: -87.393
tors. eta vs tors. theta energy: -176.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2008.431284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.431284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.431284 (E_RNA)
where:
Base-Base interactions energy: -1408.382
where: short stacking energy: -578.842
Base-Backbone interact. energy: 0.563
local terms energy: -600.611810
where:
bonds (distance) C4'-P energy: -106.264
bonds (distance) P-C4' energy: -109.970
flat angles C4'-P-C4' energy: -134.871
flat angles P-C4'-P energy: -80.748
tors. eta vs tors. theta energy: -168.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1829.095236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.095236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.095236 (E_RNA)
where:
Base-Base interactions energy: -1270.988
where: short stacking energy: -552.045
Base-Backbone interact. energy: 2.318
local terms energy: -560.425372
where:
bonds (distance) C4'-P energy: -102.163
bonds (distance) P-C4' energy: -87.460
flat angles C4'-P-C4' energy: -123.343
flat angles P-C4'-P energy: -83.333
tors. eta vs tors. theta energy: -164.127
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: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1822.459717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.459717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.459717 (E_RNA)
where:
Base-Base interactions energy: -1263.714
where: short stacking energy: -510.894
Base-Backbone interact. energy: 3.435
local terms energy: -562.181235
where:
bonds (distance) C4'-P energy: -92.215
bonds (distance) P-C4' energy: -109.750
flat angles C4'-P-C4' energy: -116.731
flat angles P-C4'-P energy: -90.800
tors. eta vs tors. theta energy: -152.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1739.277582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.277582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.277582 (E_RNA)
where:
Base-Base interactions energy: -1199.215
where: short stacking energy: -509.369
Base-Backbone interact. energy: 3.097
local terms energy: -543.159477
where:
bonds (distance) C4'-P energy: -111.162
bonds (distance) P-C4' energy: -110.806
flat angles C4'-P-C4' energy: -115.771
flat angles P-C4'-P energy: -71.359
tors. eta vs tors. theta energy: -134.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1516.354542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.354542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.354542 (E_RNA)
where:
Base-Base interactions energy: -1003.605
where: short stacking energy: -453.414
Base-Backbone interact. energy: 1.505
local terms energy: -514.254841
where:
bonds (distance) C4'-P energy: -105.545
bonds (distance) P-C4' energy: -119.879
flat angles C4'-P-C4' energy: -108.375
flat angles P-C4'-P energy: -64.738
tors. eta vs tors. theta energy: -115.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1340.122136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.122136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.122136 (E_RNA)
where:
Base-Base interactions energy: -888.626
where: short stacking energy: -391.900
Base-Backbone interact. energy: -0.784
local terms energy: -450.712132
where:
bonds (distance) C4'-P energy: -84.797
bonds (distance) P-C4' energy: -96.689
flat angles C4'-P-C4' energy: -95.800
flat angles P-C4'-P energy: -71.442
tors. eta vs tors. theta energy: -101.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1031.063467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.063467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.063467 (E_RNA)
where:
Base-Base interactions energy: -612.523
where: short stacking energy: -286.440
Base-Backbone interact. energy: -2.457
local terms energy: -416.083299
where:
bonds (distance) C4'-P energy: -108.374
bonds (distance) P-C4' energy: -105.898
flat angles C4'-P-C4' energy: -95.545
flat angles P-C4'-P energy: -66.238
tors. eta vs tors. theta energy: -40.028
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: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -605.908521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.908521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.908521 (E_RNA)
where:
Base-Base interactions energy: -290.754
where: short stacking energy: -146.848
Base-Backbone interact. energy: -3.371
local terms energy: -311.783749
where:
bonds (distance) C4'-P energy: -95.524
bonds (distance) P-C4' energy: -98.680
flat angles C4'-P-C4' energy: -78.121
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -471.466778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.466778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.466778 (E_RNA)
where:
Base-Base interactions energy: -160.041
where: short stacking energy: -124.971
Base-Backbone interact. energy: 3.308
local terms energy: -314.734273
where:
bonds (distance) C4'-P energy: -93.005
bonds (distance) P-C4' energy: -101.198
flat angles C4'-P-C4' energy: -90.847
flat angles P-C4'-P energy: -47.483
tors. eta vs tors. theta energy: 17.799
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: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2084.974833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.974833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.974833 (E_RNA)
where:
Base-Base interactions energy: -1474.846
where: short stacking energy: -586.866
Base-Backbone interact. energy: -2.775
local terms energy: -607.353328
where:
bonds (distance) C4'-P energy: -123.528
bonds (distance) P-C4' energy: -104.999
flat angles C4'-P-C4' energy: -130.984
flat angles P-C4'-P energy: -82.686
tors. eta vs tors. theta energy: -165.156
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: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2016.033334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.033334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.033334 (E_RNA)
where:
Base-Base interactions energy: -1408.917
where: short stacking energy: -601.981
Base-Backbone interact. energy: -3.938
local terms energy: -603.178594
where:
bonds (distance) C4'-P energy: -109.208
bonds (distance) P-C4' energy: -102.280
flat angles C4'-P-C4' energy: -129.648
flat angles P-C4'-P energy: -81.025
tors. eta vs tors. theta energy: -181.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1836.860810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.860810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.860810 (E_RNA)
where:
Base-Base interactions energy: -1271.841
where: short stacking energy: -526.407
Base-Backbone interact. energy: -2.739
local terms energy: -562.279854
where:
bonds (distance) C4'-P energy: -98.083
bonds (distance) P-C4' energy: -101.141
flat angles C4'-P-C4' energy: -133.981
flat angles P-C4'-P energy: -80.302
tors. eta vs tors. theta energy: -148.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1812.281856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.281856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.281856 (E_RNA)
where:
Base-Base interactions energy: -1212.650
where: short stacking energy: -550.588
Base-Backbone interact. energy: 0.160
local terms energy: -599.791250
where:
bonds (distance) C4'-P energy: -104.167
bonds (distance) P-C4' energy: -121.523
flat angles C4'-P-C4' energy: -126.563
flat angles P-C4'-P energy: -75.051
tors. eta vs tors. theta energy: -172.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1699.941451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.941451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.941451 (E_RNA)
where:
Base-Base interactions energy: -1155.227
where: short stacking energy: -478.064
Base-Backbone interact. energy: -0.755
local terms energy: -543.959290
where:
bonds (distance) C4'-P energy: -106.016
bonds (distance) P-C4' energy: -105.725
flat angles C4'-P-C4' energy: -114.514
flat angles P-C4'-P energy: -79.088
tors. eta vs tors. theta energy: -138.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1464.791804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.791804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.791804 (E_RNA)
where:
Base-Base interactions energy: -966.091
where: short stacking energy: -429.143
Base-Backbone interact. energy: -2.021
local terms energy: -496.679203
where:
bonds (distance) C4'-P energy: -103.183
bonds (distance) P-C4' energy: -98.458
flat angles C4'-P-C4' energy: -113.513
flat angles P-C4'-P energy: -71.806
tors. eta vs tors. theta energy: -109.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1328.467966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.467966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.467966 (E_RNA)
where:
Base-Base interactions energy: -871.965
where: short stacking energy: -378.851
Base-Backbone interact. energy: -3.488
local terms energy: -453.014781
where:
bonds (distance) C4'-P energy: -73.211
bonds (distance) P-C4' energy: -108.567
flat angles C4'-P-C4' energy: -110.768
flat angles P-C4'-P energy: -60.470
tors. eta vs tors. theta energy: -99.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -995.255761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.255761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.255761 (E_RNA)
where:
Base-Base interactions energy: -582.111
where: short stacking energy: -290.673
Base-Backbone interact. energy: 3.346
local terms energy: -416.490282
where:
bonds (distance) C4'-P energy: -96.232
bonds (distance) P-C4' energy: -114.392
flat angles C4'-P-C4' energy: -104.755
flat angles P-C4'-P energy: -52.270
tors. eta vs tors. theta energy: -48.841
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: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -642.452343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.452343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.452343 (E_RNA)
where:
Base-Base interactions energy: -305.839
where: short stacking energy: -199.179
Base-Backbone interact. energy: 4.096
local terms energy: -340.709174
where:
bonds (distance) C4'-P energy: -107.401
bonds (distance) P-C4' energy: -87.497
flat angles C4'-P-C4' energy: -92.510
flat angles P-C4'-P energy: -44.258
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -466.462233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.462233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.462233 (E_RNA)
where:
Base-Base interactions energy: -128.077
where: short stacking energy: -110.706
Base-Backbone interact. energy: -0.979
local terms energy: -337.405932
where:
bonds (distance) C4'-P energy: -106.972
bonds (distance) P-C4' energy: -110.780
flat angles C4'-P-C4' energy: -78.610
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: 6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2096.543523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.543523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.543523 (E_RNA)
where:
Base-Base interactions energy: -1466.181
where: short stacking energy: -591.312
Base-Backbone interact. energy: -4.797
local terms energy: -625.565766
where:
bonds (distance) C4'-P energy: -108.787
bonds (distance) P-C4' energy: -113.585
flat angles C4'-P-C4' energy: -136.881
flat angles P-C4'-P energy: -94.889
tors. eta vs tors. theta energy: -171.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2003.807289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.807289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.807289 (E_RNA)
where:
Base-Base interactions energy: -1397.711
where: short stacking energy: -603.188
Base-Backbone interact. energy: -2.371
local terms energy: -603.725379
where:
bonds (distance) C4'-P energy: -105.149
bonds (distance) P-C4' energy: -105.696
flat angles C4'-P-C4' energy: -130.667
flat angles P-C4'-P energy: -82.629
tors. eta vs tors. theta energy: -179.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1853.580818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.580818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.580818 (E_RNA)
where:
Base-Base interactions energy: -1280.248
where: short stacking energy: -551.328
Base-Backbone interact. energy: -2.281
local terms energy: -571.052503
where:
bonds (distance) C4'-P energy: -111.205
bonds (distance) P-C4' energy: -99.653
flat angles C4'-P-C4' energy: -116.079
flat angles P-C4'-P energy: -79.922
tors. eta vs tors. theta energy: -164.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1808.727029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.727029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.727029 (E_RNA)
where:
Base-Base interactions energy: -1224.384
where: short stacking energy: -556.569
Base-Backbone interact. energy: 1.546
local terms energy: -585.888987
where:
bonds (distance) C4'-P energy: -106.540
bonds (distance) P-C4' energy: -119.151
flat angles C4'-P-C4' energy: -125.412
flat angles P-C4'-P energy: -72.777
tors. eta vs tors. theta energy: -162.010
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: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1684.104500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.104500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.104500 (E_RNA)
where:
Base-Base interactions energy: -1162.755
where: short stacking energy: -498.139
Base-Backbone interact. energy: -2.580
local terms energy: -518.769266
where:
bonds (distance) C4'-P energy: -105.123
bonds (distance) P-C4' energy: -118.599
flat angles C4'-P-C4' energy: -97.148
flat angles P-C4'-P energy: -61.906
tors. eta vs tors. theta energy: -135.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1461.725748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.725748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.725748 (E_RNA)
where:
Base-Base interactions energy: -977.606
where: short stacking energy: -442.118
Base-Backbone interact. energy: -0.369
local terms energy: -483.750821
where:
bonds (distance) C4'-P energy: -107.740
bonds (distance) P-C4' energy: -99.853
flat angles C4'-P-C4' energy: -98.829
flat angles P-C4'-P energy: -83.040
tors. eta vs tors. theta energy: -94.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1384.419386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.419386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.419386 (E_RNA)
where:
Base-Base interactions energy: -919.775
where: short stacking energy: -400.956
Base-Backbone interact. energy: -2.727
local terms energy: -461.917764
where:
bonds (distance) C4'-P energy: -94.892
bonds (distance) P-C4' energy: -73.195
flat angles C4'-P-C4' energy: -113.487
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -108.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1080.032865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.032865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.032865 (E_RNA)
where:
Base-Base interactions energy: -669.135
where: short stacking energy: -300.722
Base-Backbone interact. energy: -2.605
local terms energy: -408.292637
where:
bonds (distance) C4'-P energy: -106.461
bonds (distance) P-C4' energy: -108.289
flat angles C4'-P-C4' energy: -96.675
flat angles P-C4'-P energy: -49.843
tors. eta vs tors. theta energy: -47.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -595.707433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.707433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.707433 (E_RNA)
where:
Base-Base interactions energy: -296.387
where: short stacking energy: -204.848
Base-Backbone interact. energy: -1.676
local terms energy: -297.644683
where:
bonds (distance) C4'-P energy: -73.908
bonds (distance) P-C4' energy: -91.038
flat angles C4'-P-C4' energy: -85.363
flat angles P-C4'-P energy: -44.479
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -474.429812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.429812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.429812 (E_RNA)
where:
Base-Base interactions energy: -168.791
where: short stacking energy: -116.968
Base-Backbone interact. energy: 0.996
local terms energy: -306.634166
where:
bonds (distance) C4'-P energy: -84.708
bonds (distance) P-C4' energy: -105.010
flat angles C4'-P-C4' energy: -91.333
flat angles P-C4'-P energy: -48.536
tors. eta vs tors. theta energy: 22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2064.304008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.304008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.304008 (E_RNA)
where:
Base-Base interactions energy: -1460.011
where: short stacking energy: -570.639
Base-Backbone interact. energy: -2.349
local terms energy: -601.944168
where:
bonds (distance) C4'-P energy: -105.984
bonds (distance) P-C4' energy: -121.730
flat angles C4'-P-C4' energy: -125.619
flat angles P-C4'-P energy: -80.697
tors. eta vs tors. theta energy: -167.915
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: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2026.422814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.422814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.422814 (E_RNA)
where:
Base-Base interactions energy: -1418.600
where: short stacking energy: -593.932
Base-Backbone interact. energy: -2.402
local terms energy: -605.420647
where:
bonds (distance) C4'-P energy: -110.289
bonds (distance) P-C4' energy: -113.538
flat angles C4'-P-C4' energy: -127.249
flat angles P-C4'-P energy: -76.132
tors. eta vs tors. theta energy: -178.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1863.828958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.828958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.828958 (E_RNA)
where:
Base-Base interactions energy: -1263.874
where: short stacking energy: -534.137
Base-Backbone interact. energy: -0.558
local terms energy: -599.396570
where:
bonds (distance) C4'-P energy: -102.949
bonds (distance) P-C4' energy: -113.005
flat angles C4'-P-C4' energy: -137.202
flat angles P-C4'-P energy: -84.453
tors. eta vs tors. theta energy: -161.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1839.509912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.509912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.509912 (E_RNA)
where:
Base-Base interactions energy: -1251.187
where: short stacking energy: -541.464
Base-Backbone interact. energy: 0.824
local terms energy: -589.147023
where:
bonds (distance) C4'-P energy: -98.205
bonds (distance) P-C4' energy: -104.555
flat angles C4'-P-C4' energy: -128.386
flat angles P-C4'-P energy: -83.420
tors. eta vs tors. theta energy: -174.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1693.459094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.459094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.459094 (E_RNA)
where:
Base-Base interactions energy: -1144.029
where: short stacking energy: -484.058
Base-Backbone interact. energy: -3.594
local terms energy: -545.836113
where:
bonds (distance) C4'-P energy: -110.138
bonds (distance) P-C4' energy: -113.738
flat angles C4'-P-C4' energy: -100.741
flat angles P-C4'-P energy: -89.527
tors. eta vs tors. theta energy: -131.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1461.258275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.258275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.258275 (E_RNA)
where:
Base-Base interactions energy: -971.140
where: short stacking energy: -400.677
Base-Backbone interact. energy: -1.654
local terms energy: -488.464652
where:
bonds (distance) C4'-P energy: -95.199
bonds (distance) P-C4' energy: -119.122
flat angles C4'-P-C4' energy: -103.771
flat angles P-C4'-P energy: -63.837
tors. eta vs tors. theta energy: -106.536
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: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1427.297948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.297948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.297948 (E_RNA)
where:
Base-Base interactions energy: -934.056
where: short stacking energy: -410.957
Base-Backbone interact. energy: -1.169
local terms energy: -492.072270
where:
bonds (distance) C4'-P energy: -100.907
bonds (distance) P-C4' energy: -96.578
flat angles C4'-P-C4' energy: -114.546
flat angles P-C4'-P energy: -77.803
tors. eta vs tors. theta energy: -102.238
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: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1062.264230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.264230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.264230 (E_RNA)
where:
Base-Base interactions energy: -642.587
where: short stacking energy: -312.830
Base-Backbone interact. energy: -3.021
local terms energy: -416.656039
where:
bonds (distance) C4'-P energy: -101.994
bonds (distance) P-C4' energy: -100.470
flat angles C4'-P-C4' energy: -100.751
flat angles P-C4'-P energy: -57.694
tors. eta vs tors. theta energy: -55.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -600.566855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.566855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.566855 (E_RNA)
where:
Base-Base interactions energy: -283.218
where: short stacking energy: -166.073
Base-Backbone interact. energy: 0.166
local terms energy: -317.514971
where:
bonds (distance) C4'-P energy: -97.432
bonds (distance) P-C4' energy: -99.658
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -59.127
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -466.792973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.792973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.792973 (E_RNA)
where:
Base-Base interactions energy: -201.037
where: short stacking energy: -145.285
Base-Backbone interact. energy: -0.308
local terms energy: -265.448421
where:
bonds (distance) C4'-P energy: -95.098
bonds (distance) P-C4' energy: -95.455
flat angles C4'-P-C4' energy: -63.935
flat angles P-C4'-P energy: -36.576
tors. eta vs tors. theta energy: 25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2068.126440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.126440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.126440 (E_RNA)
where:
Base-Base interactions energy: -1442.650
where: short stacking energy: -587.318
Base-Backbone interact. energy: -4.083
local terms energy: -621.393380
where:
bonds (distance) C4'-P energy: -108.179
bonds (distance) P-C4' energy: -122.489
flat angles C4'-P-C4' energy: -126.246
flat angles P-C4'-P energy: -88.892
tors. eta vs tors. theta energy: -175.587
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: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2009.943858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.943858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.943858 (E_RNA)
where:
Base-Base interactions energy: -1392.560
where: short stacking energy: -600.192
Base-Backbone interact. energy: 3.716
local terms energy: -621.099908
where:
bonds (distance) C4'-P energy: -115.934
bonds (distance) P-C4' energy: -111.847
flat angles C4'-P-C4' energy: -138.767
flat angles P-C4'-P energy: -81.277
tors. eta vs tors. theta energy: -173.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1888.044328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.044328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.044328 (E_RNA)
where:
Base-Base interactions energy: -1302.012
where: short stacking energy: -530.752
Base-Backbone interact. energy: 0.973
local terms energy: -587.004604
where:
bonds (distance) C4'-P energy: -103.941
bonds (distance) P-C4' energy: -105.656
flat angles C4'-P-C4' energy: -123.785
flat angles P-C4'-P energy: -84.883
tors. eta vs tors. theta energy: -168.740
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: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1862.276331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.276331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.276331 (E_RNA)
where:
Base-Base interactions energy: -1278.529
where: short stacking energy: -556.321
Base-Backbone interact. energy: -3.072
local terms energy: -580.675796
where:
bonds (distance) C4'-P energy: -105.993
bonds (distance) P-C4' energy: -102.727
flat angles C4'-P-C4' energy: -134.800
flat angles P-C4'-P energy: -80.432
tors. eta vs tors. theta energy: -156.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1689.766471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.766471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.766471 (E_RNA)
where:
Base-Base interactions energy: -1159.854
where: short stacking energy: -490.438
Base-Backbone interact. energy: -0.469
local terms energy: -529.444234
where:
bonds (distance) C4'-P energy: -92.618
bonds (distance) P-C4' energy: -107.798
flat angles C4'-P-C4' energy: -117.898
flat angles P-C4'-P energy: -82.510
tors. eta vs tors. theta energy: -128.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1475.410549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.410549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.410549 (E_RNA)
where:
Base-Base interactions energy: -990.517
where: short stacking energy: -427.313
Base-Backbone interact. energy: 0.519
local terms energy: -485.412891
where:
bonds (distance) C4'-P energy: -92.698
bonds (distance) P-C4' energy: -106.698
flat angles C4'-P-C4' energy: -103.226
flat angles P-C4'-P energy: -73.551
tors. eta vs tors. theta energy: -109.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1393.427596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.427596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.427596 (E_RNA)
where:
Base-Base interactions energy: -908.418
where: short stacking energy: -402.703
Base-Backbone interact. energy: 2.253
local terms energy: -487.262476
where:
bonds (distance) C4'-P energy: -105.016
bonds (distance) P-C4' energy: -102.812
flat angles C4'-P-C4' energy: -113.626
flat angles P-C4'-P energy: -64.455
tors. eta vs tors. theta energy: -101.354
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1013.749262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.749262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.749262 (E_RNA)
where:
Base-Base interactions energy: -637.859
where: short stacking energy: -292.234
Base-Backbone interact. energy: 0.463
local terms energy: -376.353197
where:
bonds (distance) C4'-P energy: -82.824
bonds (distance) P-C4' energy: -96.795
flat angles C4'-P-C4' energy: -98.269
flat angles P-C4'-P energy: -63.282
tors. eta vs tors. theta energy: -35.183
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: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -624.100757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.100757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.100757 (E_RNA)
where:
Base-Base interactions energy: -312.827
where: short stacking energy: -179.825
Base-Backbone interact. energy: 3.146
local terms energy: -314.419533
where:
bonds (distance) C4'-P energy: -92.066
bonds (distance) P-C4' energy: -117.136
flat angles C4'-P-C4' energy: -74.888
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: 14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -503.228124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.228124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.228124 (E_RNA)
where:
Base-Base interactions energy: -200.602
where: short stacking energy: -131.986
Base-Backbone interact. energy: -1.338
local terms energy: -301.288089
where:
bonds (distance) C4'-P energy: -92.177
bonds (distance) P-C4' energy: -86.787
flat angles C4'-P-C4' energy: -98.286
flat angles P-C4'-P energy: -48.314
tors. eta vs tors. theta energy: 24.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2074.581601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.581601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.581601 (E_RNA)
where:
Base-Base interactions energy: -1433.589
where: short stacking energy: -596.764
Base-Backbone interact. energy: -5.064
local terms energy: -635.929292
where:
bonds (distance) C4'-P energy: -113.016
bonds (distance) P-C4' energy: -113.938
flat angles C4'-P-C4' energy: -128.373
flat angles P-C4'-P energy: -97.905
tors. eta vs tors. theta energy: -182.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2028.386028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.386028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.386028 (E_RNA)
where:
Base-Base interactions energy: -1388.060
where: short stacking energy: -612.914
Base-Backbone interact. energy: -0.736
local terms energy: -639.590055
where:
bonds (distance) C4'-P energy: -101.602
bonds (distance) P-C4' energy: -120.650
flat angles C4'-P-C4' energy: -137.640
flat angles P-C4'-P energy: -91.734
tors. eta vs tors. theta energy: -187.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1865.360995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.360995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.360995 (E_RNA)
where:
Base-Base interactions energy: -1263.052
where: short stacking energy: -502.597
Base-Backbone interact. energy: -0.458
local terms energy: -601.850821
where:
bonds (distance) C4'-P energy: -122.411
bonds (distance) P-C4' energy: -113.005
flat angles C4'-P-C4' energy: -135.650
flat angles P-C4'-P energy: -82.025
tors. eta vs tors. theta energy: -148.760
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: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1881.185410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.185410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.185410 (E_RNA)
where:
Base-Base interactions energy: -1294.556
where: short stacking energy: -543.904
Base-Backbone interact. energy: -2.874
local terms energy: -583.755025
where:
bonds (distance) C4'-P energy: -112.756
bonds (distance) P-C4' energy: -109.497
flat angles C4'-P-C4' energy: -122.146
flat angles P-C4'-P energy: -76.960
tors. eta vs tors. theta energy: -162.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1731.938375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.938375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.938375 (E_RNA)
where:
Base-Base interactions energy: -1215.005
where: short stacking energy: -511.347
Base-Backbone interact. energy: -3.398
local terms energy: -513.535630
where:
bonds (distance) C4'-P energy: -96.783
bonds (distance) P-C4' energy: -101.821
flat angles C4'-P-C4' energy: -116.549
flat angles P-C4'-P energy: -71.474
tors. eta vs tors. theta energy: -126.910
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: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1499.609291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.609291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.609291 (E_RNA)
where:
Base-Base interactions energy: -1019.839
where: short stacking energy: -404.793
Base-Backbone interact. energy: 0.375
local terms energy: -480.145053
where:
bonds (distance) C4'-P energy: -100.350
bonds (distance) P-C4' energy: -97.694
flat angles C4'-P-C4' energy: -109.593
flat angles P-C4'-P energy: -70.773
tors. eta vs tors. theta energy: -101.735
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: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1461.921875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.921875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.921875 (E_RNA)
where:
Base-Base interactions energy: -958.930
where: short stacking energy: -418.717
Base-Backbone interact. energy: -3.225
local terms energy: -499.767284
where:
bonds (distance) C4'-P energy: -106.443
bonds (distance) P-C4' energy: -116.552
flat angles C4'-P-C4' energy: -115.307
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -111.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1074.468968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.468968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.468968 (E_RNA)
where:
Base-Base interactions energy: -657.103
where: short stacking energy: -305.474
Base-Backbone interact. energy: 0.260
local terms energy: -417.625901
where:
bonds (distance) C4'-P energy: -97.746
bonds (distance) P-C4' energy: -103.056
flat angles C4'-P-C4' energy: -102.091
flat angles P-C4'-P energy: -60.717
tors. eta vs tors. theta energy: -54.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -543.629971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.629971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.629971 (E_RNA)
where:
Base-Base interactions energy: -231.486
where: short stacking energy: -139.942
Base-Backbone interact. energy: 2.615
local terms energy: -314.759570
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -110.076
flat angles C4'-P-C4' energy: -87.970
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: 7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -528.986409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.986409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.986409 (E_RNA)
where:
Base-Base interactions energy: -251.131
where: short stacking energy: -156.472
Base-Backbone interact. energy: 2.541
local terms energy: -280.396152
where:
bonds (distance) C4'-P energy: -90.425
bonds (distance) P-C4' energy: -85.011
flat angles C4'-P-C4' energy: -67.297
flat angles P-C4'-P energy: -52.173
tors. eta vs tors. theta energy: 14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2074.019114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.019114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.019114 (E_RNA)
where:
Base-Base interactions energy: -1431.888
where: short stacking energy: -587.521
Base-Backbone interact. energy: -4.556
local terms energy: -637.574580
where:
bonds (distance) C4'-P energy: -127.320
bonds (distance) P-C4' energy: -118.774
flat angles C4'-P-C4' energy: -132.158
flat angles P-C4'-P energy: -92.108
tors. eta vs tors. theta energy: -167.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2024.440889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.440889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.440889 (E_RNA)
where:
Base-Base interactions energy: -1395.474
where: short stacking energy: -584.094
Base-Backbone interact. energy: -1.071
local terms energy: -627.896661
where:
bonds (distance) C4'-P energy: -113.256
bonds (distance) P-C4' energy: -118.420
flat angles C4'-P-C4' energy: -137.335
flat angles P-C4'-P energy: -85.850
tors. eta vs tors. theta energy: -173.035
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: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1870.245009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.245009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.245009 (E_RNA)
where:
Base-Base interactions energy: -1266.840
where: short stacking energy: -552.392
Base-Backbone interact. energy: -3.543
local terms energy: -599.861362
where:
bonds (distance) C4'-P energy: -111.758
bonds (distance) P-C4' energy: -115.769
flat angles C4'-P-C4' energy: -136.096
flat angles P-C4'-P energy: -80.282
tors. eta vs tors. theta energy: -155.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1872.396211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.396211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.396211 (E_RNA)
where:
Base-Base interactions energy: -1308.543
where: short stacking energy: -560.058
Base-Backbone interact. energy: -1.702
local terms energy: -562.151653
where:
bonds (distance) C4'-P energy: -107.802
bonds (distance) P-C4' energy: -102.087
flat angles C4'-P-C4' energy: -124.627
flat angles P-C4'-P energy: -62.284
tors. eta vs tors. theta energy: -165.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1733.888984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.888984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.888984 (E_RNA)
where:
Base-Base interactions energy: -1169.653
where: short stacking energy: -461.890
Base-Backbone interact. energy: -2.887
local terms energy: -561.348827
where:
bonds (distance) C4'-P energy: -99.332
bonds (distance) P-C4' energy: -110.238
flat angles C4'-P-C4' energy: -117.956
flat angles P-C4'-P energy: -97.681
tors. eta vs tors. theta energy: -136.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1517.380208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.380208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.380208 (E_RNA)
where:
Base-Base interactions energy: -997.627
where: short stacking energy: -438.581
Base-Backbone interact. energy: -3.012
local terms energy: -516.741001
where:
bonds (distance) C4'-P energy: -98.373
bonds (distance) P-C4' energy: -106.970
flat angles C4'-P-C4' energy: -120.938
flat angles P-C4'-P energy: -72.214
tors. eta vs tors. theta energy: -118.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1423.816481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.816481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.816481 (E_RNA)
where:
Base-Base interactions energy: -935.843
where: short stacking energy: -414.974
Base-Backbone interact. energy: -0.958
local terms energy: -487.015147
where:
bonds (distance) C4'-P energy: -104.837
bonds (distance) P-C4' energy: -110.463
flat angles C4'-P-C4' energy: -101.017
flat angles P-C4'-P energy: -70.506
tors. eta vs tors. theta energy: -100.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1071.600405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.600405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.600405 (E_RNA)
where:
Base-Base interactions energy: -648.672
where: short stacking energy: -322.172
Base-Backbone interact. energy: -2.921
local terms energy: -420.007855
where:
bonds (distance) C4'-P energy: -94.881
bonds (distance) P-C4' energy: -97.722
flat angles C4'-P-C4' energy: -103.460
flat angles P-C4'-P energy: -58.043
tors. eta vs tors. theta energy: -65.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -481.527534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.527534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.527534 (E_RNA)
where:
Base-Base interactions energy: -172.228
where: short stacking energy: -110.405
Base-Backbone interact. energy: 1.362
local terms energy: -310.661218
where:
bonds (distance) C4'-P energy: -85.519
bonds (distance) P-C4' energy: -110.526
flat angles C4'-P-C4' energy: -92.359
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: 20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -541.832386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.832386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.832386 (E_RNA)
where:
Base-Base interactions energy: -232.949
where: short stacking energy: -168.435
Base-Backbone interact. energy: -2.652
local terms energy: -306.231834
where:
bonds (distance) C4'-P energy: -94.379
bonds (distance) P-C4' energy: -104.995
flat angles C4'-P-C4' energy: -86.867
flat angles P-C4'-P energy: -34.731
tors. eta vs tors. theta energy: 14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2090.201488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.201488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.201488 (E_RNA)
where:
Base-Base interactions energy: -1476.130
where: short stacking energy: -588.345
Base-Backbone interact. energy: -3.544
local terms energy: -610.527497
where:
bonds (distance) C4'-P energy: -105.143
bonds (distance) P-C4' energy: -116.278
flat angles C4'-P-C4' energy: -124.120
flat angles P-C4'-P energy: -98.607
tors. eta vs tors. theta energy: -166.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2035.147647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.147647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.147647 (E_RNA)
where:
Base-Base interactions energy: -1400.784
where: short stacking energy: -592.195
Base-Backbone interact. energy: -0.334
local terms energy: -634.029699
where:
bonds (distance) C4'-P energy: -115.522
bonds (distance) P-C4' energy: -120.793
flat angles C4'-P-C4' energy: -113.648
flat angles P-C4'-P energy: -101.253
tors. eta vs tors. theta energy: -182.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1900.600301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.600301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.600301 (E_RNA)
where:
Base-Base interactions energy: -1287.631
where: short stacking energy: -543.866
Base-Backbone interact. energy: -0.737
local terms energy: -612.232636
where:
bonds (distance) C4'-P energy: -117.263
bonds (distance) P-C4' energy: -121.808
flat angles C4'-P-C4' energy: -127.321
flat angles P-C4'-P energy: -75.383
tors. eta vs tors. theta energy: -170.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1795.687399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.687399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.687399 (E_RNA)
where:
Base-Base interactions energy: -1260.218
where: short stacking energy: -527.626
Base-Backbone interact. energy: -0.731
local terms energy: -534.738376
where:
bonds (distance) C4'-P energy: -108.380
bonds (distance) P-C4' energy: -103.434
flat angles C4'-P-C4' energy: -113.386
flat angles P-C4'-P energy: -71.132
tors. eta vs tors. theta energy: -138.405
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: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1758.280854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.280854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.280854 (E_RNA)
where:
Base-Base interactions energy: -1219.810
where: short stacking energy: -488.606
Base-Backbone interact. energy: -4.235
local terms energy: -534.236095
where:
bonds (distance) C4'-P energy: -97.522
bonds (distance) P-C4' energy: -103.058
flat angles C4'-P-C4' energy: -123.846
flat angles P-C4'-P energy: -75.769
tors. eta vs tors. theta energy: -134.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1526.319460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.319460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.319460 (E_RNA)
where:
Base-Base interactions energy: -1040.213
where: short stacking energy: -440.477
Base-Backbone interact. energy: -1.496
local terms energy: -484.610194
where:
bonds (distance) C4'-P energy: -97.367
bonds (distance) P-C4' energy: -99.800
flat angles C4'-P-C4' energy: -105.566
flat angles P-C4'-P energy: -69.466
tors. eta vs tors. theta energy: -112.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1415.924117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.924117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.924117 (E_RNA)
where:
Base-Base interactions energy: -931.002
where: short stacking energy: -391.444
Base-Backbone interact. energy: 0.449
local terms energy: -485.370852
where:
bonds (distance) C4'-P energy: -96.634
bonds (distance) P-C4' energy: -93.206
flat angles C4'-P-C4' energy: -104.901
flat angles P-C4'-P energy: -74.960
tors. eta vs tors. theta energy: -115.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1033.687291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.687291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.687291 (E_RNA)
where:
Base-Base interactions energy: -586.683
where: short stacking energy: -285.328
Base-Backbone interact. energy: -3.351
local terms energy: -443.653591
where:
bonds (distance) C4'-P energy: -112.361
bonds (distance) P-C4' energy: -104.784
flat angles C4'-P-C4' energy: -107.332
flat angles P-C4'-P energy: -65.468
tors. eta vs tors. theta energy: -53.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -599.054119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.054119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.054119 (E_RNA)
where:
Base-Base interactions energy: -290.419
where: short stacking energy: -178.662
Base-Backbone interact. energy: 0.262
local terms energy: -308.897223
where:
bonds (distance) C4'-P energy: -94.629
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -89.359
flat angles P-C4'-P energy: -52.990
tors. eta vs tors. theta energy: 19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -467.992552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.992552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.992552 (E_RNA)
where:
Base-Base interactions energy: -147.703
where: short stacking energy: -128.121
Base-Backbone interact. energy: 3.018
local terms energy: -323.308044
where:
bonds (distance) C4'-P energy: -99.438
bonds (distance) P-C4' energy: -103.148
flat angles C4'-P-C4' energy: -84.020
flat angles P-C4'-P energy: -50.398
tors. eta vs tors. theta energy: 13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2070.162294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.162294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.162294 (E_RNA)
where:
Base-Base interactions energy: -1435.127
where: short stacking energy: -573.713
Base-Backbone interact. energy: -4.900
local terms energy: -630.135140
where:
bonds (distance) C4'-P energy: -128.113
bonds (distance) P-C4' energy: -104.180
flat angles C4'-P-C4' energy: -141.022
flat angles P-C4'-P energy: -81.927
tors. eta vs tors. theta energy: -174.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1993.558208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.558208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.558208 (E_RNA)
where:
Base-Base interactions energy: -1360.499
where: short stacking energy: -567.675
Base-Backbone interact. energy: -2.306
local terms energy: -630.753428
where:
bonds (distance) C4'-P energy: -114.343
bonds (distance) P-C4' energy: -115.697
flat angles C4'-P-C4' energy: -130.061
flat angles P-C4'-P energy: -91.250
tors. eta vs tors. theta energy: -179.403
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: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1893.765931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.765931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.765931 (E_RNA)
where:
Base-Base interactions energy: -1287.220
where: short stacking energy: -544.676
Base-Backbone interact. energy: -0.807
local terms energy: -605.739090
where:
bonds (distance) C4'-P energy: -115.813
bonds (distance) P-C4' energy: -112.986
flat angles C4'-P-C4' energy: -133.644
flat angles P-C4'-P energy: -76.530
tors. eta vs tors. theta energy: -166.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1795.697474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.697474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.697474 (E_RNA)
where:
Base-Base interactions energy: -1218.793
where: short stacking energy: -497.033
Base-Backbone interact. energy: -2.878
local terms energy: -574.027305
where:
bonds (distance) C4'-P energy: -118.276
bonds (distance) P-C4' energy: -100.488
flat angles C4'-P-C4' energy: -125.010
flat angles P-C4'-P energy: -77.643
tors. eta vs tors. theta energy: -152.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1748.479395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.479395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.479395 (E_RNA)
where:
Base-Base interactions energy: -1222.533
where: short stacking energy: -503.541
Base-Backbone interact. energy: 1.594
local terms energy: -527.540037
where:
bonds (distance) C4'-P energy: -99.525
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -118.363
flat angles P-C4'-P energy: -72.425
tors. eta vs tors. theta energy: -139.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1506.602205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.602205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.602205 (E_RNA)
where:
Base-Base interactions energy: -1026.311
where: short stacking energy: -431.460
Base-Backbone interact. energy: 1.617
local terms energy: -481.908792
where:
bonds (distance) C4'-P energy: -106.000
bonds (distance) P-C4' energy: -98.574
flat angles C4'-P-C4' energy: -105.808
flat angles P-C4'-P energy: -68.278
tors. eta vs tors. theta energy: -103.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1443.108131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.108131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.108131 (E_RNA)
where:
Base-Base interactions energy: -976.239
where: short stacking energy: -420.216
Base-Backbone interact. energy: 2.875
local terms energy: -469.743479
where:
bonds (distance) C4'-P energy: -90.646
bonds (distance) P-C4' energy: -106.136
flat angles C4'-P-C4' energy: -102.210
flat angles P-C4'-P energy: -66.076
tors. eta vs tors. theta energy: -104.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1025.225048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.225048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.225048 (E_RNA)
where:
Base-Base interactions energy: -620.721
where: short stacking energy: -274.845
Base-Backbone interact. energy: -1.590
local terms energy: -402.913352
where:
bonds (distance) C4'-P energy: -95.645
bonds (distance) P-C4' energy: -107.489
flat angles C4'-P-C4' energy: -96.046
flat angles P-C4'-P energy: -57.455
tors. eta vs tors. theta energy: -46.278
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: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -674.849779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.849779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.849779 (E_RNA)
where:
Base-Base interactions energy: -328.043
where: short stacking energy: -175.949
Base-Backbone interact. energy: 1.026
local terms energy: -347.832910
where:
bonds (distance) C4'-P energy: -88.039
bonds (distance) P-C4' energy: -114.409
flat angles C4'-P-C4' energy: -89.456
flat angles P-C4'-P energy: -57.314
tors. eta vs tors. theta energy: 1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -467.043992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.043992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.043992 (E_RNA)
where:
Base-Base interactions energy: -163.377
where: short stacking energy: -138.924
Base-Backbone interact. energy: -1.037
local terms energy: -302.630466
where:
bonds (distance) C4'-P energy: -92.140
bonds (distance) P-C4' energy: -108.927
flat angles C4'-P-C4' energy: -84.048
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: 16.003
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: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2093.069764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.069764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.069764 (E_RNA)
where:
Base-Base interactions energy: -1463.553
where: short stacking energy: -574.488
Base-Backbone interact. energy: -3.669
local terms energy: -625.846860
where:
bonds (distance) C4'-P energy: -130.871
bonds (distance) P-C4' energy: -114.991
flat angles C4'-P-C4' energy: -130.078
flat angles P-C4'-P energy: -80.771
tors. eta vs tors. theta energy: -169.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2049.895302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.895302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.895302 (E_RNA)
where:
Base-Base interactions energy: -1392.496
where: short stacking energy: -579.389
Base-Backbone interact. energy: -1.565
local terms energy: -655.833555
where:
bonds (distance) C4'-P energy: -120.221
bonds (distance) P-C4' energy: -134.784
flat angles C4'-P-C4' energy: -134.006
flat angles P-C4'-P energy: -87.302
tors. eta vs tors. theta energy: -179.521
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: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1876.657508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.657508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.657508 (E_RNA)
where:
Base-Base interactions energy: -1301.285
where: short stacking energy: -542.170
Base-Backbone interact. energy: -0.200
local terms energy: -575.172999
where:
bonds (distance) C4'-P energy: -115.741
bonds (distance) P-C4' energy: -117.841
flat angles C4'-P-C4' energy: -125.185
flat angles P-C4'-P energy: -65.671
tors. eta vs tors. theta energy: -150.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1767.066840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.066840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.066840 (E_RNA)
where:
Base-Base interactions energy: -1179.413
where: short stacking energy: -500.024
Base-Backbone interact. energy: 0.087
local terms energy: -587.741362
where:
bonds (distance) C4'-P energy: -114.431
bonds (distance) P-C4' energy: -114.281
flat angles C4'-P-C4' energy: -127.562
flat angles P-C4'-P energy: -75.022
tors. eta vs tors. theta energy: -156.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1705.264589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.264589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.264589 (E_RNA)
where:
Base-Base interactions energy: -1157.755
where: short stacking energy: -491.525
Base-Backbone interact. energy: -3.825
local terms energy: -543.684271
where:
bonds (distance) C4'-P energy: -97.324
bonds (distance) P-C4' energy: -112.705
flat angles C4'-P-C4' energy: -125.599
flat angles P-C4'-P energy: -74.791
tors. eta vs tors. theta energy: -133.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1497.065863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.065863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.065863 (E_RNA)
where:
Base-Base interactions energy: -991.527
where: short stacking energy: -407.844
Base-Backbone interact. energy: 0.660
local terms energy: -506.198167
where:
bonds (distance) C4'-P energy: -98.261
bonds (distance) P-C4' energy: -106.200
flat angles C4'-P-C4' energy: -108.619
flat angles P-C4'-P energy: -74.442
tors. eta vs tors. theta energy: -118.677
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: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1419.334564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.334564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.334564 (E_RNA)
where:
Base-Base interactions energy: -929.060
where: short stacking energy: -412.372
Base-Backbone interact. energy: -1.769
local terms energy: -488.505805
where:
bonds (distance) C4'-P energy: -98.531
bonds (distance) P-C4' energy: -104.538
flat angles C4'-P-C4' energy: -115.980
flat angles P-C4'-P energy: -47.983
tors. eta vs tors. theta energy: -121.475
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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1005.852009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.852009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.852009 (E_RNA)
where:
Base-Base interactions energy: -601.771
where: short stacking energy: -279.750
Base-Backbone interact. energy: -1.467
local terms energy: -402.613657
where:
bonds (distance) C4'-P energy: -95.614
bonds (distance) P-C4' energy: -110.471
flat angles C4'-P-C4' energy: -89.168
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -46.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -518.418555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.418555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.418555 (E_RNA)
where:
Base-Base interactions energy: -200.193
where: short stacking energy: -134.457
Base-Backbone interact. energy: 0.780
local terms energy: -319.005571
where:
bonds (distance) C4'-P energy: -98.232
bonds (distance) P-C4' energy: -99.399
flat angles C4'-P-C4' energy: -89.839
flat angles P-C4'-P energy: -53.909
tors. eta vs tors. theta energy: 22.374
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -447.785266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.785266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.785266 (E_RNA)
where:
Base-Base interactions energy: -158.801
where: short stacking energy: -121.788
Base-Backbone interact. energy: 6.637
local terms energy: -295.620607
where:
bonds (distance) C4'-P energy: -84.687
bonds (distance) P-C4' energy: -96.061
flat angles C4'-P-C4' energy: -84.373
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: 23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2091.147875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.147875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.147875 (E_RNA)
where:
Base-Base interactions energy: -1465.431
where: short stacking energy: -593.814
Base-Backbone interact. energy: 1.212
local terms energy: -626.929717
where:
bonds (distance) C4'-P energy: -107.131
bonds (distance) P-C4' energy: -123.103
flat angles C4'-P-C4' energy: -133.463
flat angles P-C4'-P energy: -88.190
tors. eta vs tors. theta energy: -175.042
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: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2011.158451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.158451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.158451 (E_RNA)
where:
Base-Base interactions energy: -1376.775
where: short stacking energy: -589.547
Base-Backbone interact. energy: -0.912
local terms energy: -633.470704
where:
bonds (distance) C4'-P energy: -110.289
bonds (distance) P-C4' energy: -124.362
flat angles C4'-P-C4' energy: -137.347
flat angles P-C4'-P energy: -80.816
tors. eta vs tors. theta energy: -180.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1838.376663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.376663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.376663 (E_RNA)
where:
Base-Base interactions energy: -1256.489
where: short stacking energy: -524.716
Base-Backbone interact. energy: -0.036
local terms energy: -581.851354
where:
bonds (distance) C4'-P energy: -97.725
bonds (distance) P-C4' energy: -116.293
flat angles C4'-P-C4' energy: -128.436
flat angles P-C4'-P energy: -84.506
tors. eta vs tors. theta energy: -154.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1794.162951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.162951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.162951 (E_RNA)
where:
Base-Base interactions energy: -1238.673
where: short stacking energy: -502.473
Base-Backbone interact. energy: 2.404
local terms energy: -557.893742
where:
bonds (distance) C4'-P energy: -97.486
bonds (distance) P-C4' energy: -98.270
flat angles C4'-P-C4' energy: -117.397
flat angles P-C4'-P energy: -85.236
tors. eta vs tors. theta energy: -159.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1731.607654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.607654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.607654 (E_RNA)
where:
Base-Base interactions energy: -1187.011
where: short stacking energy: -514.225
Base-Backbone interact. energy: 0.354
local terms energy: -544.950252
where:
bonds (distance) C4'-P energy: -90.712
bonds (distance) P-C4' energy: -99.006
flat angles C4'-P-C4' energy: -126.832
flat angles P-C4'-P energy: -77.891
tors. eta vs tors. theta energy: -150.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1569.552038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.552038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.552038 (E_RNA)
where:
Base-Base interactions energy: -1036.384
where: short stacking energy: -448.647
Base-Backbone interact. energy: -3.779
local terms energy: -529.389268
where:
bonds (distance) C4'-P energy: -95.363
bonds (distance) P-C4' energy: -111.117
flat angles C4'-P-C4' energy: -120.033
flat angles P-C4'-P energy: -76.870
tors. eta vs tors. theta energy: -126.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1406.377522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.377522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.377522 (E_RNA)
where:
Base-Base interactions energy: -951.341
where: short stacking energy: -426.893
Base-Backbone interact. energy: -1.535
local terms energy: -453.500996
where:
bonds (distance) C4'-P energy: -89.901
bonds (distance) P-C4' energy: -98.634
flat angles C4'-P-C4' energy: -95.677
flat angles P-C4'-P energy: -65.921
tors. eta vs tors. theta energy: -103.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -977.547753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.547753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.547753 (E_RNA)
where:
Base-Base interactions energy: -585.247
where: short stacking energy: -262.579
Base-Backbone interact. energy: -2.169
local terms energy: -390.131522
where:
bonds (distance) C4'-P energy: -96.288
bonds (distance) P-C4' energy: -102.956
flat angles C4'-P-C4' energy: -102.484
flat angles P-C4'-P energy: -51.878
tors. eta vs tors. theta energy: -36.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -566.415554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.415554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.415554 (E_RNA)
where:
Base-Base interactions energy: -255.465
where: short stacking energy: -169.452
Base-Backbone interact. energy: -2.839
local terms energy: -308.110989
where:
bonds (distance) C4'-P energy: -101.912
bonds (distance) P-C4' energy: -88.205
flat angles C4'-P-C4' energy: -84.921
flat angles P-C4'-P energy: -43.844
tors. eta vs tors. theta energy: 10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -447.081210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.081210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.081210 (E_RNA)
where:
Base-Base interactions energy: -160.461
where: short stacking energy: -112.227
Base-Backbone interact. energy: 6.532
local terms energy: -293.151657
where:
bonds (distance) C4'-P energy: -105.474
bonds (distance) P-C4' energy: -90.739
flat angles C4'-P-C4' energy: -89.559
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: 36.172
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: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2101.270129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.270129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.270129 (E_RNA)
where:
Base-Base interactions energy: -1460.127
where: short stacking energy: -598.256
Base-Backbone interact. energy: -3.395
local terms energy: -637.748512
where:
bonds (distance) C4'-P energy: -113.201
bonds (distance) P-C4' energy: -124.738
flat angles C4'-P-C4' energy: -132.746
flat angles P-C4'-P energy: -91.118
tors. eta vs tors. theta energy: -175.945
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: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2006.567249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.567249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.567249 (E_RNA)
where:
Base-Base interactions energy: -1368.947
where: short stacking energy: -590.238
Base-Backbone interact. energy: -1.898
local terms energy: -635.722075
where:
bonds (distance) C4'-P energy: -108.428
bonds (distance) P-C4' energy: -119.212
flat angles C4'-P-C4' energy: -132.046
flat angles P-C4'-P energy: -94.582
tors. eta vs tors. theta energy: -181.455
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: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1849.042168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.042168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.042168 (E_RNA)
where:
Base-Base interactions energy: -1283.454
where: short stacking energy: -519.462
Base-Backbone interact. energy: -2.198
local terms energy: -563.390262
where:
bonds (distance) C4'-P energy: -99.214
bonds (distance) P-C4' energy: -111.676
flat angles C4'-P-C4' energy: -126.626
flat angles P-C4'-P energy: -75.810
tors. eta vs tors. theta energy: -150.065
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: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1774.031394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.031394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.031394 (E_RNA)
where:
Base-Base interactions energy: -1218.710
where: short stacking energy: -491.885
Base-Backbone interact. energy: -1.365
local terms energy: -553.955946
where:
bonds (distance) C4'-P energy: -120.142
bonds (distance) P-C4' energy: -101.666
flat angles C4'-P-C4' energy: -123.054
flat angles P-C4'-P energy: -71.791
tors. eta vs tors. theta energy: -137.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1746.227983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.227983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.227983 (E_RNA)
where:
Base-Base interactions energy: -1186.407
where: short stacking energy: -526.643
Base-Backbone interact. energy: -0.977
local terms energy: -558.843651
where:
bonds (distance) C4'-P energy: -103.504
bonds (distance) P-C4' energy: -104.994
flat angles C4'-P-C4' energy: -115.988
flat angles P-C4'-P energy: -86.056
tors. eta vs tors. theta energy: -148.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1557.779906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.779906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.779906 (E_RNA)
where:
Base-Base interactions energy: -1063.867
where: short stacking energy: -466.891
Base-Backbone interact. energy: 0.786
local terms energy: -494.699341
where:
bonds (distance) C4'-P energy: -91.518
bonds (distance) P-C4' energy: -93.215
flat angles C4'-P-C4' energy: -126.715
flat angles P-C4'-P energy: -59.405
tors. eta vs tors. theta energy: -123.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1442.979375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.979375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.979375 (E_RNA)
where:
Base-Base interactions energy: -978.214
where: short stacking energy: -423.220
Base-Backbone interact. energy: -1.148
local terms energy: -463.617845
where:
bonds (distance) C4'-P energy: -89.953
bonds (distance) P-C4' energy: -94.983
flat angles C4'-P-C4' energy: -113.851
flat angles P-C4'-P energy: -58.550
tors. eta vs tors. theta energy: -106.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1004.948566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.948566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.948566 (E_RNA)
where:
Base-Base interactions energy: -593.587
where: short stacking energy: -292.838
Base-Backbone interact. energy: -0.944
local terms energy: -410.417534
where:
bonds (distance) C4'-P energy: -98.731
bonds (distance) P-C4' energy: -96.491
flat angles C4'-P-C4' energy: -102.424
flat angles P-C4'-P energy: -56.758
tors. eta vs tors. theta energy: -56.014
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: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -596.068821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.068821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.068821 (E_RNA)
where:
Base-Base interactions energy: -276.957
where: short stacking energy: -179.687
Base-Backbone interact. energy: 3.872
local terms energy: -322.983712
where:
bonds (distance) C4'-P energy: -93.494
bonds (distance) P-C4' energy: -111.403
flat angles C4'-P-C4' energy: -86.370
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: 14.941
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: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -434.967600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.967600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.967600 (E_RNA)
where:
Base-Base interactions energy: -148.840
where: short stacking energy: -105.852
Base-Backbone interact. energy: 2.101
local terms energy: -288.228113
where:
bonds (distance) C4'-P energy: -98.053
bonds (distance) P-C4' energy: -104.392
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -61.278
tors. eta vs tors. theta energy: 33.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2047.259903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.259903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.259903 (E_RNA)
where:
Base-Base interactions energy: -1449.644
where: short stacking energy: -588.797
Base-Backbone interact. energy: 1.447
local terms energy: -599.063545
where:
bonds (distance) C4'-P energy: -113.037
bonds (distance) P-C4' energy: -106.046
flat angles C4'-P-C4' energy: -120.494
flat angles P-C4'-P energy: -89.997
tors. eta vs tors. theta energy: -169.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2027.096800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.096800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.096800 (E_RNA)
where:
Base-Base interactions energy: -1385.410
where: short stacking energy: -591.838
Base-Backbone interact. energy: 2.784
local terms energy: -644.471396
where:
bonds (distance) C4'-P energy: -117.705
bonds (distance) P-C4' energy: -108.446
flat angles C4'-P-C4' energy: -141.063
flat angles P-C4'-P energy: -91.195
tors. eta vs tors. theta energy: -186.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1877.403238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.403238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.403238 (E_RNA)
where:
Base-Base interactions energy: -1294.445
where: short stacking energy: -532.601
Base-Backbone interact. energy: 0.013
local terms energy: -582.971287
where:
bonds (distance) C4'-P energy: -109.949
bonds (distance) P-C4' energy: -108.628
flat angles C4'-P-C4' energy: -122.382
flat angles P-C4'-P energy: -78.590
tors. eta vs tors. theta energy: -163.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1767.967731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.967731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.967731 (E_RNA)
where:
Base-Base interactions energy: -1202.897
where: short stacking energy: -506.869
Base-Backbone interact. energy: -2.612
local terms energy: -562.458750
where:
bonds (distance) C4'-P energy: -111.529
bonds (distance) P-C4' energy: -104.963
flat angles C4'-P-C4' energy: -115.068
flat angles P-C4'-P energy: -86.607
tors. eta vs tors. theta energy: -144.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1756.551140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.551140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.551140 (E_RNA)
where:
Base-Base interactions energy: -1201.223
where: short stacking energy: -517.476
Base-Backbone interact. energy: -3.939
local terms energy: -551.389532
where:
bonds (distance) C4'-P energy: -105.663
bonds (distance) P-C4' energy: -102.021
flat angles C4'-P-C4' energy: -118.735
flat angles P-C4'-P energy: -76.616
tors. eta vs tors. theta energy: -148.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1552.119712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.119712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.119712 (E_RNA)
where:
Base-Base interactions energy: -1044.677
where: short stacking energy: -443.724
Base-Backbone interact. energy: -2.527
local terms energy: -504.915054
where:
bonds (distance) C4'-P energy: -113.296
bonds (distance) P-C4' energy: -97.557
flat angles C4'-P-C4' energy: -109.747
flat angles P-C4'-P energy: -70.816
tors. eta vs tors. theta energy: -113.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1440.430670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.430670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.430670 (E_RNA)
where:
Base-Base interactions energy: -972.828
where: short stacking energy: -429.883
Base-Backbone interact. energy: -0.946
local terms energy: -466.657171
where:
bonds (distance) C4'-P energy: -80.989
bonds (distance) P-C4' energy: -92.660
flat angles C4'-P-C4' energy: -114.341
flat angles P-C4'-P energy: -70.826
tors. eta vs tors. theta energy: -107.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -996.220548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.220548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.220548 (E_RNA)
where:
Base-Base interactions energy: -600.481
where: short stacking energy: -285.935
Base-Backbone interact. energy: -2.229
local terms energy: -393.509993
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -108.423
flat angles C4'-P-C4' energy: -105.284
flat angles P-C4'-P energy: -57.517
tors. eta vs tors. theta energy: -33.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -567.258440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.258440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.258440 (E_RNA)
where:
Base-Base interactions energy: -258.186
where: short stacking energy: -152.636
Base-Backbone interact. energy: 1.677
local terms energy: -310.749417
where:
bonds (distance) C4'-P energy: -84.777
bonds (distance) P-C4' energy: -107.154
flat angles C4'-P-C4' energy: -93.989
flat angles P-C4'-P energy: -34.144
tors. eta vs tors. theta energy: 9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -450.804080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.804080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.804080 (E_RNA)
where:
Base-Base interactions energy: -140.255
where: short stacking energy: -125.836
Base-Backbone interact. energy: 4.785
local terms energy: -315.333659
where:
bonds (distance) C4'-P energy: -83.805
bonds (distance) P-C4' energy: -107.540
flat angles C4'-P-C4' energy: -81.044
flat angles P-C4'-P energy: -52.273
tors. eta vs tors. theta energy: 9.328
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: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2065.168373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.168373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.168373 (E_RNA)
where:
Base-Base interactions energy: -1402.175
where: short stacking energy: -597.603
Base-Backbone interact. energy: -6.362
local terms energy: -656.631641
where:
bonds (distance) C4'-P energy: -116.403
bonds (distance) P-C4' energy: -128.566
flat angles C4'-P-C4' energy: -130.665
flat angles P-C4'-P energy: -99.213
tors. eta vs tors. theta energy: -181.784
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: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2028.874691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.874691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.874691 (E_RNA)
where:
Base-Base interactions energy: -1418.730
where: short stacking energy: -598.614
Base-Backbone interact. energy: 0.268
local terms energy: -610.412766
where:
bonds (distance) C4'-P energy: -111.357
bonds (distance) P-C4' energy: -120.370
flat angles C4'-P-C4' energy: -122.703
flat angles P-C4'-P energy: -83.235
tors. eta vs tors. theta energy: -172.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1907.525390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.525390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.525390 (E_RNA)
where:
Base-Base interactions energy: -1288.237
where: short stacking energy: -545.221
Base-Backbone interact. energy: -2.502
local terms energy: -616.786761
where:
bonds (distance) C4'-P energy: -107.525
bonds (distance) P-C4' energy: -124.534
flat angles C4'-P-C4' energy: -127.674
flat angles P-C4'-P energy: -85.186
tors. eta vs tors. theta energy: -171.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1777.844276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.844276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.844276 (E_RNA)
where:
Base-Base interactions energy: -1238.906
where: short stacking energy: -496.082
Base-Backbone interact. energy: -3.258
local terms energy: -535.680187
where:
bonds (distance) C4'-P energy: -102.020
bonds (distance) P-C4' energy: -111.358
flat angles C4'-P-C4' energy: -118.399
flat angles P-C4'-P energy: -76.357
tors. eta vs tors. theta energy: -127.547
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: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1689.233209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.233209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.233209 (E_RNA)
where:
Base-Base interactions energy: -1170.519
where: short stacking energy: -496.774
Base-Backbone interact. energy: 3.395
local terms energy: -522.109336
where:
bonds (distance) C4'-P energy: -97.578
bonds (distance) P-C4' energy: -98.585
flat angles C4'-P-C4' energy: -113.378
flat angles P-C4'-P energy: -75.965
tors. eta vs tors. theta energy: -136.603
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: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1574.357348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.357348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.357348 (E_RNA)
where:
Base-Base interactions energy: -1061.982
where: short stacking energy: -466.029
Base-Backbone interact. energy: -0.594
local terms energy: -511.781211
where:
bonds (distance) C4'-P energy: -105.398
bonds (distance) P-C4' energy: -106.472
flat angles C4'-P-C4' energy: -104.654
flat angles P-C4'-P energy: -72.422
tors. eta vs tors. theta energy: -122.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1395.068863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.068863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.068863 (E_RNA)
where:
Base-Base interactions energy: -894.555
where: short stacking energy: -399.667
Base-Backbone interact. energy: -2.029
local terms energy: -498.484801
where:
bonds (distance) C4'-P energy: -99.692
bonds (distance) P-C4' energy: -110.883
flat angles C4'-P-C4' energy: -114.175
flat angles P-C4'-P energy: -75.383
tors. eta vs tors. theta energy: -98.351
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: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -997.885711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.885711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.885711 (E_RNA)
where:
Base-Base interactions energy: -566.333
where: short stacking energy: -267.085
Base-Backbone interact. energy: -2.387
local terms energy: -429.165677
where:
bonds (distance) C4'-P energy: -91.906
bonds (distance) P-C4' energy: -114.922
flat angles C4'-P-C4' energy: -102.868
flat angles P-C4'-P energy: -67.708
tors. eta vs tors. theta energy: -51.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -527.314071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.314071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.314071 (E_RNA)
where:
Base-Base interactions energy: -205.782
where: short stacking energy: -152.661
Base-Backbone interact. energy: 0.916
local terms energy: -322.447643
where:
bonds (distance) C4'-P energy: -106.198
bonds (distance) P-C4' energy: -89.067
flat angles C4'-P-C4' energy: -87.869
flat angles P-C4'-P energy: -44.185
tors. eta vs tors. theta energy: 4.871
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: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -452.680601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.680601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.680601 (E_RNA)
where:
Base-Base interactions energy: -187.414
where: short stacking energy: -131.940
Base-Backbone interact. energy: -2.490
local terms energy: -262.776689
where:
bonds (distance) C4'-P energy: -81.958
bonds (distance) P-C4' energy: -103.656
flat angles C4'-P-C4' energy: -97.446
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: 42.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2084.221513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.221513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.221513 (E_RNA)
where:
Base-Base interactions energy: -1461.591
where: short stacking energy: -591.984
Base-Backbone interact. energy: -1.195
local terms energy: -621.435522
where:
bonds (distance) C4'-P energy: -105.277
bonds (distance) P-C4' energy: -120.831
flat angles C4'-P-C4' energy: -129.989
flat angles P-C4'-P energy: -92.276
tors. eta vs tors. theta energy: -173.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2026.894810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.894810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.894810 (E_RNA)
where:
Base-Base interactions energy: -1392.233
where: short stacking energy: -573.736
Base-Backbone interact. energy: -2.436
local terms energy: -632.225080
where:
bonds (distance) C4'-P energy: -115.725
bonds (distance) P-C4' energy: -115.516
flat angles C4'-P-C4' energy: -130.135
flat angles P-C4'-P energy: -90.769
tors. eta vs tors. theta energy: -180.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1886.233574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.233574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.233574 (E_RNA)
where:
Base-Base interactions energy: -1266.029
where: short stacking energy: -575.971
Base-Backbone interact. energy: -2.350
local terms energy: -617.853734
where:
bonds (distance) C4'-P energy: -121.454
bonds (distance) P-C4' energy: -113.829
flat angles C4'-P-C4' energy: -130.360
flat angles P-C4'-P energy: -92.511
tors. eta vs tors. theta energy: -159.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1764.524217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.524217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.524217 (E_RNA)
where:
Base-Base interactions energy: -1206.806
where: short stacking energy: -531.790
Base-Backbone interact. energy: 0.345
local terms energy: -558.063447
where:
bonds (distance) C4'-P energy: -103.951
bonds (distance) P-C4' energy: -98.201
flat angles C4'-P-C4' energy: -128.165
flat angles P-C4'-P energy: -73.925
tors. eta vs tors. theta energy: -153.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1731.967551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.967551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.967551 (E_RNA)
where:
Base-Base interactions energy: -1205.044
where: short stacking energy: -507.191
Base-Backbone interact. energy: -0.485
local terms energy: -526.438092
where:
bonds (distance) C4'-P energy: -100.392
bonds (distance) P-C4' energy: -113.273
flat angles C4'-P-C4' energy: -117.185
flat angles P-C4'-P energy: -67.759
tors. eta vs tors. theta energy: -127.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1495.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.897067 (E_RNA)
where:
Base-Base interactions energy: -942.735
where: short stacking energy: -447.392
Base-Backbone interact. energy: -0.770
local terms energy: -552.392146
where:
bonds (distance) C4'-P energy: -111.417
bonds (distance) P-C4' energy: -126.042
flat angles C4'-P-C4' energy: -115.106
flat angles P-C4'-P energy: -72.093
tors. eta vs tors. theta energy: -127.734
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: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1456.999347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.999347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.999347 (E_RNA)
where:
Base-Base interactions energy: -960.794
where: short stacking energy: -416.046
Base-Backbone interact. energy: -2.508
local terms energy: -493.697354
where:
bonds (distance) C4'-P energy: -104.226
bonds (distance) P-C4' energy: -118.094
flat angles C4'-P-C4' energy: -93.784
flat angles P-C4'-P energy: -72.110
tors. eta vs tors. theta energy: -105.483
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: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -972.541522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.541522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.541522 (E_RNA)
where:
Base-Base interactions energy: -600.300
where: short stacking energy: -281.598
Base-Backbone interact. energy: 1.517
local terms energy: -373.757611
where:
bonds (distance) C4'-P energy: -99.563
bonds (distance) P-C4' energy: -94.100
flat angles C4'-P-C4' energy: -91.852
flat angles P-C4'-P energy: -51.428
tors. eta vs tors. theta energy: -36.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -481.114570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.114570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.114570 (E_RNA)
where:
Base-Base interactions energy: -173.655
where: short stacking energy: -137.673
Base-Backbone interact. energy: 4.928
local terms energy: -312.387440
where:
bonds (distance) C4'-P energy: -82.788
bonds (distance) P-C4' energy: -96.786
flat angles C4'-P-C4' energy: -87.085
flat angles P-C4'-P energy: -48.818
tors. eta vs tors. theta energy: 3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -510.954338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.954338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.954338 (E_RNA)
where:
Base-Base interactions energy: -214.169
where: short stacking energy: -143.382
Base-Backbone interact. energy: 2.539
local terms energy: -299.324083
where:
bonds (distance) C4'-P energy: -98.354
bonds (distance) P-C4' energy: -106.706
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: 13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2056.236488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.236488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.236488 (E_RNA)
where:
Base-Base interactions energy: -1421.595
where: short stacking energy: -612.036
Base-Backbone interact. energy: -3.295
local terms energy: -631.346482
where:
bonds (distance) C4'-P energy: -118.803
bonds (distance) P-C4' energy: -112.083
flat angles C4'-P-C4' energy: -131.850
flat angles P-C4'-P energy: -90.616
tors. eta vs tors. theta energy: -177.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2048.909407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.909407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.909407 (E_RNA)
where:
Base-Base interactions energy: -1413.502
where: short stacking energy: -570.801
Base-Backbone interact. energy: -2.310
local terms energy: -633.097558
where:
bonds (distance) C4'-P energy: -124.878
bonds (distance) P-C4' energy: -115.693
flat angles C4'-P-C4' energy: -134.841
flat angles P-C4'-P energy: -83.830
tors. eta vs tors. theta energy: -173.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1867.121173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.121173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.121173 (E_RNA)
where:
Base-Base interactions energy: -1299.203
where: short stacking energy: -552.204
Base-Backbone interact. energy: -2.085
local terms energy: -565.832366
where:
bonds (distance) C4'-P energy: -97.888
bonds (distance) P-C4' energy: -111.436
flat angles C4'-P-C4' energy: -114.272
flat angles P-C4'-P energy: -77.822
tors. eta vs tors. theta energy: -164.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1717.236043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.236043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.236043 (E_RNA)
where:
Base-Base interactions energy: -1156.529
where: short stacking energy: -467.026
Base-Backbone interact. energy: -2.811
local terms energy: -557.895917
where:
bonds (distance) C4'-P energy: -102.483
bonds (distance) P-C4' energy: -108.262
flat angles C4'-P-C4' energy: -125.951
flat angles P-C4'-P energy: -84.603
tors. eta vs tors. theta energy: -136.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1754.285677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.285677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.285677 (E_RNA)
where:
Base-Base interactions energy: -1220.867
where: short stacking energy: -503.263
Base-Backbone interact. energy: -0.377
local terms energy: -533.041232
where:
bonds (distance) C4'-P energy: -95.859
bonds (distance) P-C4' energy: -109.716
flat angles C4'-P-C4' energy: -120.057
flat angles P-C4'-P energy: -80.222
tors. eta vs tors. theta energy: -127.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1506.068957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.068957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.068957 (E_RNA)
where:
Base-Base interactions energy: -990.603
where: short stacking energy: -419.978
Base-Backbone interact. energy: 1.090
local terms energy: -516.555689
where:
bonds (distance) C4'-P energy: -93.881
bonds (distance) P-C4' energy: -99.755
flat angles C4'-P-C4' energy: -115.405
flat angles P-C4'-P energy: -87.791
tors. eta vs tors. theta energy: -119.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1473.708701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.708701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.708701 (E_RNA)
where:
Base-Base interactions energy: -975.337
where: short stacking energy: -428.014
Base-Backbone interact. energy: 1.863
local terms energy: -500.234449
where:
bonds (distance) C4'-P energy: -104.196
bonds (distance) P-C4' energy: -104.339
flat angles C4'-P-C4' energy: -111.710
flat angles P-C4'-P energy: -70.563
tors. eta vs tors. theta energy: -109.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -984.920295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.920295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.920295 (E_RNA)
where:
Base-Base interactions energy: -601.942
where: short stacking energy: -288.290
Base-Backbone interact. energy: -0.433
local terms energy: -382.545560
where:
bonds (distance) C4'-P energy: -105.184
bonds (distance) P-C4' energy: -96.022
flat angles C4'-P-C4' energy: -75.417
flat angles P-C4'-P energy: -67.196
tors. eta vs tors. theta energy: -38.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -525.090323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.090323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.090323 (E_RNA)
where:
Base-Base interactions energy: -234.937
where: short stacking energy: -155.703
Base-Backbone interact. energy: 0.423
local terms energy: -290.575978
where:
bonds (distance) C4'-P energy: -74.091
bonds (distance) P-C4' energy: -105.445
flat angles C4'-P-C4' energy: -74.959
flat angles P-C4'-P energy: -52.510
tors. eta vs tors. theta energy: 16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -452.208453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.208453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.208453 (E_RNA)
where:
Base-Base interactions energy: -155.821
where: short stacking energy: -136.221
Base-Backbone interact. energy: 9.595
local terms energy: -305.981744
where:
bonds (distance) C4'-P energy: -93.289
bonds (distance) P-C4' energy: -92.689
flat angles C4'-P-C4' energy: -91.306
flat angles P-C4'-P energy: -43.093
tors. eta vs tors. theta energy: 14.395
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: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2084.767469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.767469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.767469 (E_RNA)
where:
Base-Base interactions energy: -1445.549
where: short stacking energy: -616.046
Base-Backbone interact. energy: -1.205
local terms energy: -638.013821
where:
bonds (distance) C4'-P energy: -122.464
bonds (distance) P-C4' energy: -118.868
flat angles C4'-P-C4' energy: -114.789
flat angles P-C4'-P energy: -104.994
tors. eta vs tors. theta energy: -176.899
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: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2018.048373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.048373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.048373 (E_RNA)
where:
Base-Base interactions energy: -1397.717
where: short stacking energy: -559.683
Base-Backbone interact. energy: -3.643
local terms energy: -616.688031
where:
bonds (distance) C4'-P energy: -120.189
bonds (distance) P-C4' energy: -111.579
flat angles C4'-P-C4' energy: -130.971
flat angles P-C4'-P energy: -86.760
tors. eta vs tors. theta energy: -167.189
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: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1880.634552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.634552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.634552 (E_RNA)
where:
Base-Base interactions energy: -1301.905
where: short stacking energy: -565.539
Base-Backbone interact. energy: -1.405
local terms energy: -577.324200
where:
bonds (distance) C4'-P energy: -102.687
bonds (distance) P-C4' energy: -117.392
flat angles C4'-P-C4' energy: -123.319
flat angles P-C4'-P energy: -72.396
tors. eta vs tors. theta energy: -161.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1758.843712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.843712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.843712 (E_RNA)
where:
Base-Base interactions energy: -1184.352
where: short stacking energy: -501.036
Base-Backbone interact. energy: -1.574
local terms energy: -572.917692
where:
bonds (distance) C4'-P energy: -126.154
bonds (distance) P-C4' energy: -109.979
flat angles C4'-P-C4' energy: -130.103
flat angles P-C4'-P energy: -76.384
tors. eta vs tors. theta energy: -130.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1705.342260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.342260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.342260 (E_RNA)
where:
Base-Base interactions energy: -1189.095
where: short stacking energy: -491.201
Base-Backbone interact. energy: 0.075
local terms energy: -516.321422
where:
bonds (distance) C4'-P energy: -103.705
bonds (distance) P-C4' energy: -110.859
flat angles C4'-P-C4' energy: -105.070
flat angles P-C4'-P energy: -68.841
tors. eta vs tors. theta energy: -127.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1542.623021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.623021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.623021 (E_RNA)
where:
Base-Base interactions energy: -1035.347
where: short stacking energy: -446.411
Base-Backbone interact. energy: -1.418
local terms energy: -505.858530
where:
bonds (distance) C4'-P energy: -87.536
bonds (distance) P-C4' energy: -109.051
flat angles C4'-P-C4' energy: -106.572
flat angles P-C4'-P energy: -82.725
tors. eta vs tors. theta energy: -119.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1429.000120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.000120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.000120 (E_RNA)
where:
Base-Base interactions energy: -945.198
where: short stacking energy: -422.150
Base-Backbone interact. energy: -1.383
local terms energy: -482.419166
where:
bonds (distance) C4'-P energy: -90.429
bonds (distance) P-C4' energy: -103.473
flat angles C4'-P-C4' energy: -119.581
flat angles P-C4'-P energy: -61.341
tors. eta vs tors. theta energy: -107.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1043.671544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.671544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.671544 (E_RNA)
where:
Base-Base interactions energy: -648.893
where: short stacking energy: -290.082
Base-Backbone interact. energy: -2.586
local terms energy: -392.192037
where:
bonds (distance) C4'-P energy: -102.665
bonds (distance) P-C4' energy: -97.396
flat angles C4'-P-C4' energy: -86.271
flat angles P-C4'-P energy: -59.944
tors. eta vs tors. theta energy: -45.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -516.571514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.571514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.571514 (E_RNA)
where:
Base-Base interactions energy: -212.058
where: short stacking energy: -168.289
Base-Backbone interact. energy: 0.466
local terms energy: -304.980112
where:
bonds (distance) C4'-P energy: -86.549
bonds (distance) P-C4' energy: -103.067
flat angles C4'-P-C4' energy: -84.120
flat angles P-C4'-P energy: -43.520
tors. eta vs tors. theta energy: 12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -447.901188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.901188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.901188 (E_RNA)
where:
Base-Base interactions energy: -169.732
where: short stacking energy: -132.959
Base-Backbone interact. energy: -1.354
local terms energy: -276.815573
where:
bonds (distance) C4'-P energy: -90.068
bonds (distance) P-C4' energy: -103.615
flat angles C4'-P-C4' energy: -81.925
flat angles P-C4'-P energy: -26.859
tors. eta vs tors. theta energy: 25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2091.918808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.918808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.918808 (E_RNA)
where:
Base-Base interactions energy: -1474.582
where: short stacking energy: -623.068
Base-Backbone interact. energy: 0.384
local terms energy: -617.720592
where:
bonds (distance) C4'-P energy: -103.665
bonds (distance) P-C4' energy: -110.714
flat angles C4'-P-C4' energy: -138.954
flat angles P-C4'-P energy: -87.054
tors. eta vs tors. theta energy: -177.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2020.134212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.134212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.134212 (E_RNA)
where:
Base-Base interactions energy: -1403.589
where: short stacking energy: -573.770
Base-Backbone interact. energy: -2.104
local terms energy: -614.441314
where:
bonds (distance) C4'-P energy: -116.793
bonds (distance) P-C4' energy: -116.448
flat angles C4'-P-C4' energy: -134.499
flat angles P-C4'-P energy: -82.776
tors. eta vs tors. theta energy: -163.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1857.586008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.586008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.586008 (E_RNA)
where:
Base-Base interactions energy: -1267.845
where: short stacking energy: -550.331
Base-Backbone interact. energy: 0.250
local terms energy: -589.990836
where:
bonds (distance) C4'-P energy: -106.039
bonds (distance) P-C4' energy: -103.957
flat angles C4'-P-C4' energy: -120.711
flat angles P-C4'-P energy: -82.212
tors. eta vs tors. theta energy: -177.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1807.048175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.048175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.048175 (E_RNA)
where:
Base-Base interactions energy: -1218.375
where: short stacking energy: -552.877
Base-Backbone interact. energy: -2.383
local terms energy: -586.289486
where:
bonds (distance) C4'-P energy: -104.490
bonds (distance) P-C4' energy: -117.342
flat angles C4'-P-C4' energy: -129.183
flat angles P-C4'-P energy: -75.842
tors. eta vs tors. theta energy: -159.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1744.695267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.695267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.695267 (E_RNA)
where:
Base-Base interactions energy: -1179.915
where: short stacking energy: -492.782
Base-Backbone interact. energy: 0.235
local terms energy: -565.015330
where:
bonds (distance) C4'-P energy: -102.081
bonds (distance) P-C4' energy: -122.183
flat angles C4'-P-C4' energy: -122.693
flat angles P-C4'-P energy: -76.662
tors. eta vs tors. theta energy: -141.397
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: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1579.965921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.965921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.965921 (E_RNA)
where:
Base-Base interactions energy: -1059.651
where: short stacking energy: -494.177
Base-Backbone interact. energy: -2.047
local terms energy: -518.267648
where:
bonds (distance) C4'-P energy: -93.919
bonds (distance) P-C4' energy: -103.834
flat angles C4'-P-C4' energy: -125.036
flat angles P-C4'-P energy: -68.916
tors. eta vs tors. theta energy: -126.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1427.058591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.058591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.058591 (E_RNA)
where:
Base-Base interactions energy: -958.889
where: short stacking energy: -390.656
Base-Backbone interact. energy: -2.564
local terms energy: -465.605717
where:
bonds (distance) C4'-P energy: -105.092
bonds (distance) P-C4' energy: -98.413
flat angles C4'-P-C4' energy: -104.425
flat angles P-C4'-P energy: -69.554
tors. eta vs tors. theta energy: -88.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1043.354323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.354323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.354323 (E_RNA)
where:
Base-Base interactions energy: -623.056
where: short stacking energy: -277.783
Base-Backbone interact. energy: -2.010
local terms energy: -418.288801
where:
bonds (distance) C4'-P energy: -93.701
bonds (distance) P-C4' energy: -101.865
flat angles C4'-P-C4' energy: -100.833
flat angles P-C4'-P energy: -66.432
tors. eta vs tors. theta energy: -55.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -516.764037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.764037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.764037 (E_RNA)
where:
Base-Base interactions energy: -179.837
where: short stacking energy: -142.277
Base-Backbone interact. energy: -2.124
local terms energy: -334.803566
where:
bonds (distance) C4'-P energy: -104.781
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -86.469
flat angles P-C4'-P energy: -41.957
tors. eta vs tors. theta energy: 8.048
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: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -469.704636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.704636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.704636 (E_RNA)
where:
Base-Base interactions energy: -206.935
where: short stacking energy: -138.648
Base-Backbone interact. energy: -2.862
local terms energy: -259.907676
where:
bonds (distance) C4'-P energy: -80.944
bonds (distance) P-C4' energy: -97.287
flat angles C4'-P-C4' energy: -58.678
flat angles P-C4'-P energy: -46.537
tors. eta vs tors. theta energy: 23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2056.160543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.160543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.160543 (E_RNA)
where:
Base-Base interactions energy: -1438.720
where: short stacking energy: -590.416
Base-Backbone interact. energy: -1.699
local terms energy: -615.741505
where:
bonds (distance) C4'-P energy: -106.107
bonds (distance) P-C4' energy: -119.493
flat angles C4'-P-C4' energy: -131.471
flat angles P-C4'-P energy: -84.163
tors. eta vs tors. theta energy: -174.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2030.543345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.543345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.543345 (E_RNA)
where:
Base-Base interactions energy: -1419.439
where: short stacking energy: -571.453
Base-Backbone interact. energy: 5.099
local terms energy: -616.203296
where:
bonds (distance) C4'-P energy: -114.010
bonds (distance) P-C4' energy: -107.226
flat angles C4'-P-C4' energy: -133.035
flat angles P-C4'-P energy: -88.077
tors. eta vs tors. theta energy: -173.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1890.180847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.180847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.180847 (E_RNA)
where:
Base-Base interactions energy: -1275.642
where: short stacking energy: -553.563
Base-Backbone interact. energy: -1.349
local terms energy: -613.190061
where:
bonds (distance) C4'-P energy: -126.039
bonds (distance) P-C4' energy: -108.217
flat angles C4'-P-C4' energy: -127.774
flat angles P-C4'-P energy: -82.035
tors. eta vs tors. theta energy: -169.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1799.844304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.844304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.844304 (E_RNA)
where:
Base-Base interactions energy: -1244.969
where: short stacking energy: -515.493
Base-Backbone interact. energy: -1.496
local terms energy: -553.379680
where:
bonds (distance) C4'-P energy: -108.276
bonds (distance) P-C4' energy: -106.228
flat angles C4'-P-C4' energy: -130.482
flat angles P-C4'-P energy: -67.844
tors. eta vs tors. theta energy: -140.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1731.334021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.334021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.334021 (E_RNA)
where:
Base-Base interactions energy: -1172.267
where: short stacking energy: -488.430
Base-Backbone interact. energy: -1.911
local terms energy: -557.156167
where:
bonds (distance) C4'-P energy: -107.015
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -123.523
flat angles P-C4'-P energy: -85.286
tors. eta vs tors. theta energy: -140.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1488.215703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.215703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.215703 (E_RNA)
where:
Base-Base interactions energy: -1005.991
where: short stacking energy: -424.194
Base-Backbone interact. energy: -0.066
local terms energy: -482.158778
where:
bonds (distance) C4'-P energy: -97.158
bonds (distance) P-C4' energy: -98.214
flat angles C4'-P-C4' energy: -107.864
flat angles P-C4'-P energy: -61.217
tors. eta vs tors. theta energy: -117.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1459.417412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.417412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.417412 (E_RNA)
where:
Base-Base interactions energy: -987.179
where: short stacking energy: -416.410
Base-Backbone interact. energy: 2.807
local terms energy: -475.044899
where:
bonds (distance) C4'-P energy: -86.716
bonds (distance) P-C4' energy: -116.184
flat angles C4'-P-C4' energy: -103.087
flat angles P-C4'-P energy: -58.379
tors. eta vs tors. theta energy: -110.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1062.315782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.315782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.315782 (E_RNA)
where:
Base-Base interactions energy: -630.161
where: short stacking energy: -305.575
Base-Backbone interact. energy: 0.496
local terms energy: -432.651288
where:
bonds (distance) C4'-P energy: -86.790
bonds (distance) P-C4' energy: -99.824
flat angles C4'-P-C4' energy: -108.863
flat angles P-C4'-P energy: -69.089
tors. eta vs tors. theta energy: -68.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -502.440578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.440578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.440578 (E_RNA)
where:
Base-Base interactions energy: -176.257
where: short stacking energy: -103.330
Base-Backbone interact. energy: 1.997
local terms energy: -328.181393
where:
bonds (distance) C4'-P energy: -97.196
bonds (distance) P-C4' energy: -110.246
flat angles C4'-P-C4' energy: -103.489
flat angles P-C4'-P energy: -40.910
tors. eta vs tors. theta energy: 23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -460.662440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.662440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.662440 (E_RNA)
where:
Base-Base interactions energy: -166.445
where: short stacking energy: -135.397
Base-Backbone interact. energy: 0.564
local terms energy: -294.781045
where:
bonds (distance) C4'-P energy: -96.884
bonds (distance) P-C4' energy: -109.597
flat angles C4'-P-C4' energy: -63.608
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: 20.575
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: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2061.624245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.624245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.624245 (E_RNA)
where:
Base-Base interactions energy: -1453.023
where: short stacking energy: -602.611
Base-Backbone interact. energy: -3.830
local terms energy: -604.771357
where:
bonds (distance) C4'-P energy: -98.217
bonds (distance) P-C4' energy: -107.997
flat angles C4'-P-C4' energy: -130.028
flat angles P-C4'-P energy: -81.679
tors. eta vs tors. theta energy: -186.850
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: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2040.052805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.052805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.052805 (E_RNA)
where:
Base-Base interactions energy: -1411.337
where: short stacking energy: -584.031
Base-Backbone interact. energy: 0.513
local terms energy: -629.228580
where:
bonds (distance) C4'-P energy: -119.536
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -140.550
flat angles P-C4'-P energy: -93.689
tors. eta vs tors. theta energy: -164.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1898.268613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.268613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.268613 (E_RNA)
where:
Base-Base interactions energy: -1318.154
where: short stacking energy: -571.479
Base-Backbone interact. energy: -2.839
local terms energy: -577.275774
where:
bonds (distance) C4'-P energy: -98.066
bonds (distance) P-C4' energy: -110.993
flat angles C4'-P-C4' energy: -135.660
flat angles P-C4'-P energy: -70.758
tors. eta vs tors. theta energy: -161.799
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: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1819.499560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.499560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.499560 (E_RNA)
where:
Base-Base interactions energy: -1260.681
where: short stacking energy: -520.344
Base-Backbone interact. energy: 1.608
local terms energy: -560.427102
where:
bonds (distance) C4'-P energy: -108.183
bonds (distance) P-C4' energy: -109.617
flat angles C4'-P-C4' energy: -121.206
flat angles P-C4'-P energy: -75.982
tors. eta vs tors. theta energy: -145.439
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: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1696.861152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.861152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.861152 (E_RNA)
where:
Base-Base interactions energy: -1135.124
where: short stacking energy: -462.155
Base-Backbone interact. energy: -0.796
local terms energy: -560.940496
where:
bonds (distance) C4'-P energy: -118.244
bonds (distance) P-C4' energy: -120.512
flat angles C4'-P-C4' energy: -113.056
flat angles P-C4'-P energy: -74.912
tors. eta vs tors. theta energy: -134.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1526.216282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.216282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.216282 (E_RNA)
where:
Base-Base interactions energy: -1020.104
where: short stacking energy: -469.198
Base-Backbone interact. energy: -0.757
local terms energy: -505.354855
where:
bonds (distance) C4'-P energy: -92.362
bonds (distance) P-C4' energy: -102.554
flat angles C4'-P-C4' energy: -119.704
flat angles P-C4'-P energy: -64.378
tors. eta vs tors. theta energy: -126.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1443.913582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.913582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.913582 (E_RNA)
where:
Base-Base interactions energy: -969.544
where: short stacking energy: -397.711
Base-Backbone interact. energy: -2.838
local terms energy: -471.531539
where:
bonds (distance) C4'-P energy: -96.205
bonds (distance) P-C4' energy: -85.850
flat angles C4'-P-C4' energy: -109.663
flat angles P-C4'-P energy: -75.596
tors. eta vs tors. theta energy: -104.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1140.691639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.691639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.691639 (E_RNA)
where:
Base-Base interactions energy: -725.108
where: short stacking energy: -314.328
Base-Backbone interact. energy: 1.034
local terms energy: -416.617643
where:
bonds (distance) C4'-P energy: -83.616
bonds (distance) P-C4' energy: -111.288
flat angles C4'-P-C4' energy: -109.866
flat angles P-C4'-P energy: -55.209
tors. eta vs tors. theta energy: -56.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -495.750505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.750505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.750505 (E_RNA)
where:
Base-Base interactions energy: -161.592
where: short stacking energy: -141.029
Base-Backbone interact. energy: 1.422
local terms energy: -335.581037
where:
bonds (distance) C4'-P energy: -93.622
bonds (distance) P-C4' energy: -105.936
flat angles C4'-P-C4' energy: -90.011
flat angles P-C4'-P energy: -56.244
tors. eta vs tors. theta energy: 10.232
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: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -429.365638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.365638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.365638 (E_RNA)
where:
Base-Base interactions energy: -149.349
where: short stacking energy: -133.661
Base-Backbone interact. energy: 4.327
local terms energy: -284.344000
where:
bonds (distance) C4'-P energy: -100.459
bonds (distance) P-C4' energy: -80.880
flat angles C4'-P-C4' energy: -68.561
flat angles P-C4'-P energy: -50.124
tors. eta vs tors. theta energy: 15.680
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: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2068.566365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.566365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.566365 (E_RNA)
where:
Base-Base interactions energy: -1420.803
where: short stacking energy: -604.232
Base-Backbone interact. energy: 0.484
local terms energy: -648.247856
where:
bonds (distance) C4'-P energy: -126.365
bonds (distance) P-C4' energy: -116.299
flat angles C4'-P-C4' energy: -138.735
flat angles P-C4'-P energy: -89.448
tors. eta vs tors. theta energy: -177.401
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: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2029.987961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.987961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.987961 (E_RNA)
where:
Base-Base interactions energy: -1421.178
where: short stacking energy: -573.652
Base-Backbone interact. energy: -1.968
local terms energy: -606.841977
where:
bonds (distance) C4'-P energy: -110.541
bonds (distance) P-C4' energy: -121.024
flat angles C4'-P-C4' energy: -126.208
flat angles P-C4'-P energy: -85.460
tors. eta vs tors. theta energy: -163.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1912.985390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.985390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.985390 (E_RNA)
where:
Base-Base interactions energy: -1301.427
where: short stacking energy: -562.592
Base-Backbone interact. energy: -2.787
local terms energy: -608.771225
where:
bonds (distance) C4'-P energy: -98.103
bonds (distance) P-C4' energy: -112.604
flat angles C4'-P-C4' energy: -134.725
flat angles P-C4'-P energy: -93.276
tors. eta vs tors. theta energy: -170.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1806.779504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.779504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.779504 (E_RNA)
where:
Base-Base interactions energy: -1228.187
where: short stacking energy: -527.040
Base-Backbone interact. energy: 2.005
local terms energy: -580.597366
where:
bonds (distance) C4'-P energy: -93.650
bonds (distance) P-C4' energy: -96.387
flat angles C4'-P-C4' energy: -135.422
flat angles P-C4'-P energy: -96.341
tors. eta vs tors. theta energy: -158.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1710.633326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.633326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.633326 (E_RNA)
where:
Base-Base interactions energy: -1174.421
where: short stacking energy: -508.614
Base-Backbone interact. energy: 1.428
local terms energy: -537.640758
where:
bonds (distance) C4'-P energy: -95.687
bonds (distance) P-C4' energy: -101.694
flat angles C4'-P-C4' energy: -116.178
flat angles P-C4'-P energy: -70.873
tors. eta vs tors. theta energy: -153.209
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: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1431.207672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.207672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.207672 (E_RNA)
where:
Base-Base interactions energy: -931.213
where: short stacking energy: -384.180
Base-Backbone interact. energy: -4.462
local terms energy: -495.532058
where:
bonds (distance) C4'-P energy: -93.436
bonds (distance) P-C4' energy: -108.222
flat angles C4'-P-C4' energy: -118.793
flat angles P-C4'-P energy: -85.013
tors. eta vs tors. theta energy: -90.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1394.464981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.464981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.464981 (E_RNA)
where:
Base-Base interactions energy: -927.439
where: short stacking energy: -382.321
Base-Backbone interact. energy: -0.488
local terms energy: -466.537809
where:
bonds (distance) C4'-P energy: -89.936
bonds (distance) P-C4' energy: -94.853
flat angles C4'-P-C4' energy: -113.096
flat angles P-C4'-P energy: -63.474
tors. eta vs tors. theta energy: -105.179
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: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1144.715678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.715678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.715678 (E_RNA)
where:
Base-Base interactions energy: -746.072
where: short stacking energy: -299.958
Base-Backbone interact. energy: 0.252
local terms energy: -398.896514
where:
bonds (distance) C4'-P energy: -91.487
bonds (distance) P-C4' energy: -88.952
flat angles C4'-P-C4' energy: -115.572
flat angles P-C4'-P energy: -65.617
tors. eta vs tors. theta energy: -37.268
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: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -531.379110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.379110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.379110 (E_RNA)
where:
Base-Base interactions energy: -205.631
where: short stacking energy: -144.053
Base-Backbone interact. energy: -1.303
local terms energy: -324.445505
where:
bonds (distance) C4'-P energy: -99.660
bonds (distance) P-C4' energy: -109.645
flat angles C4'-P-C4' energy: -82.169
flat angles P-C4'-P energy: -58.240
tors. eta vs tors. theta energy: 25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -470.558781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.558781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.558781 (E_RNA)
where:
Base-Base interactions energy: -172.621
where: short stacking energy: -138.158
Base-Backbone interact. energy: 1.557
local terms energy: -299.495236
where:
bonds (distance) C4'-P energy: -87.565
bonds (distance) P-C4' energy: -93.878
flat angles C4'-P-C4' energy: -81.797
flat angles P-C4'-P energy: -50.037
tors. eta vs tors. theta energy: 13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2097.641706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.641706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.641706 (E_RNA)
where:
Base-Base interactions energy: -1459.093
where: short stacking energy: -614.294
Base-Backbone interact. energy: -2.133
local terms energy: -636.415235
where:
bonds (distance) C4'-P energy: -115.270
bonds (distance) P-C4' energy: -118.590
flat angles C4'-P-C4' energy: -128.311
flat angles P-C4'-P energy: -97.355
tors. eta vs tors. theta energy: -176.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2040.046726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.046726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.046726 (E_RNA)
where:
Base-Base interactions energy: -1409.115
where: short stacking energy: -595.459
Base-Backbone interact. energy: -1.540
local terms energy: -629.391440
where:
bonds (distance) C4'-P energy: -118.374
bonds (distance) P-C4' energy: -118.019
flat angles C4'-P-C4' energy: -133.133
flat angles P-C4'-P energy: -80.811
tors. eta vs tors. theta energy: -179.055
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: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1902.215073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.215073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.215073 (E_RNA)
where:
Base-Base interactions energy: -1303.124
where: short stacking energy: -552.996
Base-Backbone interact. energy: 1.843
local terms energy: -600.933951
where:
bonds (distance) C4'-P energy: -107.065
bonds (distance) P-C4' energy: -116.421
flat angles C4'-P-C4' energy: -122.555
flat angles P-C4'-P energy: -88.440
tors. eta vs tors. theta energy: -166.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1793.723396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.723396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.723396 (E_RNA)
where:
Base-Base interactions energy: -1228.334
where: short stacking energy: -518.186
Base-Backbone interact. energy: -0.502
local terms energy: -564.887420
where:
bonds (distance) C4'-P energy: -97.351
bonds (distance) P-C4' energy: -104.741
flat angles C4'-P-C4' energy: -135.848
flat angles P-C4'-P energy: -75.906
tors. eta vs tors. theta energy: -151.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1690.514512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.514512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.514512 (E_RNA)
where:
Base-Base interactions energy: -1132.363
where: short stacking energy: -470.998
Base-Backbone interact. energy: -2.597
local terms energy: -555.554210
where:
bonds (distance) C4'-P energy: -111.616
bonds (distance) P-C4' energy: -106.137
flat angles C4'-P-C4' energy: -115.481
flat angles P-C4'-P energy: -77.599
tors. eta vs tors. theta energy: -144.721
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: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1535.766737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.766737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.766737 (E_RNA)
where:
Base-Base interactions energy: -1041.419
where: short stacking energy: -436.267
Base-Backbone interact. energy: -1.978
local terms energy: -492.369028
where:
bonds (distance) C4'-P energy: -92.109
bonds (distance) P-C4' energy: -112.109
flat angles C4'-P-C4' energy: -105.216
flat angles P-C4'-P energy: -75.560
tors. eta vs tors. theta energy: -107.374
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: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1411.595174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.595174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.595174 (E_RNA)
where:
Base-Base interactions energy: -942.396
where: short stacking energy: -401.063
Base-Backbone interact. energy: -2.300
local terms energy: -466.899005
where:
bonds (distance) C4'-P energy: -99.429
bonds (distance) P-C4' energy: -106.816
flat angles C4'-P-C4' energy: -105.711
flat angles P-C4'-P energy: -63.348
tors. eta vs tors. theta energy: -91.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1138.958463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.958463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.958463 (E_RNA)
where:
Base-Base interactions energy: -734.809
where: short stacking energy: -331.954
Base-Backbone interact. energy: -0.459
local terms energy: -403.690278
where:
bonds (distance) C4'-P energy: -84.984
bonds (distance) P-C4' energy: -112.210
flat angles C4'-P-C4' energy: -101.808
flat angles P-C4'-P energy: -56.321
tors. eta vs tors. theta energy: -48.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -483.578599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.578599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.578599 (E_RNA)
where:
Base-Base interactions energy: -185.875
where: short stacking energy: -133.802
Base-Backbone interact. energy: 1.696
local terms energy: -299.399571
where:
bonds (distance) C4'-P energy: -85.536
bonds (distance) P-C4' energy: -101.851
flat angles C4'-P-C4' energy: -83.135
flat angles P-C4'-P energy: -44.168
tors. eta vs tors. theta energy: 15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -508.278238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.278238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.278238 (E_RNA)
where:
Base-Base interactions energy: -225.963
where: short stacking energy: -157.250
Base-Backbone interact. energy: -1.565
local terms energy: -280.749791
where:
bonds (distance) C4'-P energy: -98.394
bonds (distance) P-C4' energy: -86.425
flat angles C4'-P-C4' energy: -83.402
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: 8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2095.252047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.252047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.252047 (E_RNA)
where:
Base-Base interactions energy: -1456.353
where: short stacking energy: -594.547
Base-Backbone interact. energy: 1.182
local terms energy: -640.081620
where:
bonds (distance) C4'-P energy: -120.684
bonds (distance) P-C4' energy: -110.761
flat angles C4'-P-C4' energy: -138.302
flat angles P-C4'-P energy: -86.324
tors. eta vs tors. theta energy: -184.011
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: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2013.798145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.798145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.798145 (E_RNA)
where:
Base-Base interactions energy: -1403.651
where: short stacking energy: -584.144
Base-Backbone interact. energy: -3.701
local terms energy: -606.446420
where:
bonds (distance) C4'-P energy: -112.400
bonds (distance) P-C4' energy: -110.658
flat angles C4'-P-C4' energy: -137.040
flat angles P-C4'-P energy: -73.973
tors. eta vs tors. theta energy: -172.375
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: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1907.072123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.072123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.072123 (E_RNA)
where:
Base-Base interactions energy: -1297.499
where: short stacking energy: -548.213
Base-Backbone interact. energy: -1.639
local terms energy: -607.934490
where:
bonds (distance) C4'-P energy: -106.399
bonds (distance) P-C4' energy: -113.005
flat angles C4'-P-C4' energy: -137.349
flat angles P-C4'-P energy: -80.925
tors. eta vs tors. theta energy: -170.255
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: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1818.465030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.465030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.465030 (E_RNA)
where:
Base-Base interactions energy: -1225.330
where: short stacking energy: -516.070
Base-Backbone interact. energy: 5.013
local terms energy: -598.148042
where:
bonds (distance) C4'-P energy: -119.207
bonds (distance) P-C4' energy: -116.371
flat angles C4'-P-C4' energy: -132.539
flat angles P-C4'-P energy: -69.487
tors. eta vs tors. theta energy: -160.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1714.817568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.817568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.817568 (E_RNA)
where:
Base-Base interactions energy: -1153.311
where: short stacking energy: -495.924
Base-Backbone interact. energy: -0.483
local terms energy: -561.023650
where:
bonds (distance) C4'-P energy: -98.009
bonds (distance) P-C4' energy: -111.552
flat angles C4'-P-C4' energy: -125.375
flat angles P-C4'-P energy: -87.460
tors. eta vs tors. theta energy: -138.627
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: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1582.897424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.897424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.897424 (E_RNA)
where:
Base-Base interactions energy: -1074.963
where: short stacking energy: -462.599
Base-Backbone interact. energy: -1.292
local terms energy: -506.642811
where:
bonds (distance) C4'-P energy: -99.776
bonds (distance) P-C4' energy: -100.122
flat angles C4'-P-C4' energy: -110.601
flat angles P-C4'-P energy: -79.463
tors. eta vs tors. theta energy: -116.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1395.937677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.937677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.937677 (E_RNA)
where:
Base-Base interactions energy: -933.742
where: short stacking energy: -384.809
Base-Backbone interact. energy: 1.494
local terms energy: -463.689536
where:
bonds (distance) C4'-P energy: -104.225
bonds (distance) P-C4' energy: -107.596
flat angles C4'-P-C4' energy: -106.898
flat angles P-C4'-P energy: -50.963
tors. eta vs tors. theta energy: -94.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1143.480738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.480738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.480738 (E_RNA)
where:
Base-Base interactions energy: -689.116
where: short stacking energy: -325.435
Base-Backbone interact. energy: -2.802
local terms energy: -451.562080
where:
bonds (distance) C4'-P energy: -107.180
bonds (distance) P-C4' energy: -104.592
flat angles C4'-P-C4' energy: -108.822
flat angles P-C4'-P energy: -65.188
tors. eta vs tors. theta energy: -65.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -450.251549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.251549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.251549 (E_RNA)
where:
Base-Base interactions energy: -161.329
where: short stacking energy: -131.953
Base-Backbone interact. energy: 1.645
local terms energy: -290.567407
where:
bonds (distance) C4'-P energy: -110.144
bonds (distance) P-C4' energy: -101.793
flat angles C4'-P-C4' energy: -80.136
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: 31.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -580.588188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.588188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.588188 (E_RNA)
where:
Base-Base interactions energy: -287.205
where: short stacking energy: -178.877
Base-Backbone interact. energy: 7.704
local terms energy: -301.087509
where:
bonds (distance) C4'-P energy: -76.819
bonds (distance) P-C4' energy: -92.623
flat angles C4'-P-C4' energy: -107.720
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2074.360875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.360875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.360875 (E_RNA)
where:
Base-Base interactions energy: -1441.768
where: short stacking energy: -586.461
Base-Backbone interact. energy: -3.352
local terms energy: -629.240463
where:
bonds (distance) C4'-P energy: -117.950
bonds (distance) P-C4' energy: -120.318
flat angles C4'-P-C4' energy: -124.398
flat angles P-C4'-P energy: -85.792
tors. eta vs tors. theta energy: -180.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2006.742807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.742807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.742807 (E_RNA)
where:
Base-Base interactions energy: -1403.686
where: short stacking energy: -578.267
Base-Backbone interact. energy: -3.049
local terms energy: -600.008218
where:
bonds (distance) C4'-P energy: -103.212
bonds (distance) P-C4' energy: -115.695
flat angles C4'-P-C4' energy: -130.061
flat angles P-C4'-P energy: -83.863
tors. eta vs tors. theta energy: -167.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1914.731728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.731728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.731728 (E_RNA)
where:
Base-Base interactions energy: -1302.806
where: short stacking energy: -552.308
Base-Backbone interact. energy: -0.893
local terms energy: -611.032572
where:
bonds (distance) C4'-P energy: -109.134
bonds (distance) P-C4' energy: -117.585
flat angles C4'-P-C4' energy: -134.970
flat angles P-C4'-P energy: -82.802
tors. eta vs tors. theta energy: -166.541
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: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1816.925093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.925093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.925093 (E_RNA)
where:
Base-Base interactions energy: -1254.425
where: short stacking energy: -522.365
Base-Backbone interact. energy: 0.607
local terms energy: -563.107429
where:
bonds (distance) C4'-P energy: -110.264
bonds (distance) P-C4' energy: -108.359
flat angles C4'-P-C4' energy: -117.171
flat angles P-C4'-P energy: -73.227
tors. eta vs tors. theta energy: -154.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1675.077203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.077203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.077203 (E_RNA)
where:
Base-Base interactions energy: -1131.646
where: short stacking energy: -473.412
Base-Backbone interact. energy: -1.510
local terms energy: -541.921472
where:
bonds (distance) C4'-P energy: -102.497
bonds (distance) P-C4' energy: -92.075
flat angles C4'-P-C4' energy: -123.072
flat angles P-C4'-P energy: -83.543
tors. eta vs tors. theta energy: -140.735
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: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1583.595027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.595027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.595027 (E_RNA)
where:
Base-Base interactions energy: -1067.452
where: short stacking energy: -441.058
Base-Backbone interact. energy: 0.847
local terms energy: -516.990215
where:
bonds (distance) C4'-P energy: -96.953
bonds (distance) P-C4' energy: -109.300
flat angles C4'-P-C4' energy: -122.309
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: -124.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1381.022225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.022225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.022225 (E_RNA)
where:
Base-Base interactions energy: -908.987
where: short stacking energy: -399.367
Base-Backbone interact. energy: 3.391
local terms energy: -475.427005
where:
bonds (distance) C4'-P energy: -96.580
bonds (distance) P-C4' energy: -100.472
flat angles C4'-P-C4' energy: -107.447
flat angles P-C4'-P energy: -65.660
tors. eta vs tors. theta energy: -105.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1119.990608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.990608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.990608 (E_RNA)
where:
Base-Base interactions energy: -698.193
where: short stacking energy: -313.506
Base-Backbone interact. energy: 3.586
local terms energy: -425.383594
where:
bonds (distance) C4'-P energy: -106.350
bonds (distance) P-C4' energy: -100.993
flat angles C4'-P-C4' energy: -91.398
flat angles P-C4'-P energy: -68.361
tors. eta vs tors. theta energy: -58.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -638.744179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.744179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.744179 (E_RNA)
where:
Base-Base interactions energy: -312.350
where: short stacking energy: -163.606
Base-Backbone interact. energy: -3.041
local terms energy: -323.352426
where:
bonds (distance) C4'-P energy: -75.468
bonds (distance) P-C4' energy: -100.978
flat angles C4'-P-C4' energy: -93.588
flat angles P-C4'-P energy: -53.857
tors. eta vs tors. theta energy: 0.539
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: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -501.948285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.948285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.948285 (E_RNA)
where:
Base-Base interactions energy: -207.641
where: short stacking energy: -134.740
Base-Backbone interact. energy: 5.292
local terms energy: -299.599051
where:
bonds (distance) C4'-P energy: -98.254
bonds (distance) P-C4' energy: -112.907
flat angles C4'-P-C4' energy: -58.755
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: 10.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2071.372471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.372471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.372471 (E_RNA)
where:
Base-Base interactions energy: -1434.945
where: short stacking energy: -589.440
Base-Backbone interact. energy: -1.481
local terms energy: -634.946596
where:
bonds (distance) C4'-P energy: -120.068
bonds (distance) P-C4' energy: -115.356
flat angles C4'-P-C4' energy: -128.272
flat angles P-C4'-P energy: -89.929
tors. eta vs tors. theta energy: -181.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2023.960657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.960657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.960657 (E_RNA)
where:
Base-Base interactions energy: -1419.375
where: short stacking energy: -558.587
Base-Backbone interact. energy: -2.931
local terms energy: -601.654683
where:
bonds (distance) C4'-P energy: -108.348
bonds (distance) P-C4' energy: -116.276
flat angles C4'-P-C4' energy: -128.802
flat angles P-C4'-P energy: -88.177
tors. eta vs tors. theta energy: -160.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1890.462850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.462850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.462850 (E_RNA)
where:
Base-Base interactions energy: -1281.688
where: short stacking energy: -565.041
Base-Backbone interact. energy: -1.526
local terms energy: -607.249456
where:
bonds (distance) C4'-P energy: -103.458
bonds (distance) P-C4' energy: -108.625
flat angles C4'-P-C4' energy: -137.950
flat angles P-C4'-P energy: -83.718
tors. eta vs tors. theta energy: -173.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1816.703212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.703212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.703212 (E_RNA)
where:
Base-Base interactions energy: -1243.655
where: short stacking energy: -510.145
Base-Backbone interact. energy: 1.100
local terms energy: -574.147840
where:
bonds (distance) C4'-P energy: -85.371
bonds (distance) P-C4' energy: -110.393
flat angles C4'-P-C4' energy: -136.763
flat angles P-C4'-P energy: -83.063
tors. eta vs tors. theta energy: -158.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1690.541128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.541128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.541128 (E_RNA)
where:
Base-Base interactions energy: -1122.031
where: short stacking energy: -493.255
Base-Backbone interact. energy: -1.355
local terms energy: -567.154588
where:
bonds (distance) C4'-P energy: -112.536
bonds (distance) P-C4' energy: -97.313
flat angles C4'-P-C4' energy: -125.793
flat angles P-C4'-P energy: -92.218
tors. eta vs tors. theta energy: -139.295
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: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1548.846355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.846355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.846355 (E_RNA)
where:
Base-Base interactions energy: -1053.924
where: short stacking energy: -450.039
Base-Backbone interact. energy: 1.064
local terms energy: -495.986066
where:
bonds (distance) C4'-P energy: -89.414
bonds (distance) P-C4' energy: -101.346
flat angles C4'-P-C4' energy: -125.058
flat angles P-C4'-P energy: -71.918
tors. eta vs tors. theta energy: -108.250
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: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1398.120623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.120623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.120623 (E_RNA)
where:
Base-Base interactions energy: -925.417
where: short stacking energy: -413.548
Base-Backbone interact. energy: -2.626
local terms energy: -470.077468
where:
bonds (distance) C4'-P energy: -105.006
bonds (distance) P-C4' energy: -105.534
flat angles C4'-P-C4' energy: -100.877
flat angles P-C4'-P energy: -62.138
tors. eta vs tors. theta energy: -96.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1167.570957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.570957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.570957 (E_RNA)
where:
Base-Base interactions energy: -727.341
where: short stacking energy: -355.408
Base-Backbone interact. energy: 2.968
local terms energy: -443.197472
where:
bonds (distance) C4'-P energy: -97.118
bonds (distance) P-C4' energy: -115.259
flat angles C4'-P-C4' energy: -104.149
flat angles P-C4'-P energy: -59.588
tors. eta vs tors. theta energy: -67.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -694.275304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.275304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.275304 (E_RNA)
where:
Base-Base interactions energy: -341.878
where: short stacking energy: -200.001
Base-Backbone interact. energy: -1.436
local terms energy: -350.961327
where:
bonds (distance) C4'-P energy: -90.287
bonds (distance) P-C4' energy: -96.520
flat angles C4'-P-C4' energy: -94.985
flat angles P-C4'-P energy: -50.674
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -538.472144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.472144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.472144 (E_RNA)
where:
Base-Base interactions energy: -229.214
where: short stacking energy: -124.669
Base-Backbone interact. energy: -1.849
local terms energy: -307.409800
where:
bonds (distance) C4'-P energy: -84.514
bonds (distance) P-C4' energy: -101.753
flat angles C4'-P-C4' energy: -98.424
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: 23.978
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: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2049.933863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.933863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.933863 (E_RNA)
where:
Base-Base interactions energy: -1401.864
where: short stacking energy: -591.204
Base-Backbone interact. energy: -0.738
local terms energy: -647.331726
where:
bonds (distance) C4'-P energy: -118.568
bonds (distance) P-C4' energy: -124.340
flat angles C4'-P-C4' energy: -143.931
flat angles P-C4'-P energy: -84.194
tors. eta vs tors. theta energy: -176.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2036.326351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.326351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.326351 (E_RNA)
where:
Base-Base interactions energy: -1419.814
where: short stacking energy: -566.978
Base-Backbone interact. energy: -1.829
local terms energy: -614.683363
where:
bonds (distance) C4'-P energy: -121.322
bonds (distance) P-C4' energy: -113.287
flat angles C4'-P-C4' energy: -128.636
flat angles P-C4'-P energy: -91.082
tors. eta vs tors. theta energy: -160.357
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: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1905.664575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.664575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.664575 (E_RNA)
where:
Base-Base interactions energy: -1308.348
where: short stacking energy: -544.424
Base-Backbone interact. energy: -2.196
local terms energy: -595.120971
where:
bonds (distance) C4'-P energy: -110.788
bonds (distance) P-C4' energy: -121.195
flat angles C4'-P-C4' energy: -121.826
flat angles P-C4'-P energy: -72.032
tors. eta vs tors. theta energy: -169.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1800.289074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.289074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.289074 (E_RNA)
where:
Base-Base interactions energy: -1219.750
where: short stacking energy: -504.320
Base-Backbone interact. energy: 0.767
local terms energy: -581.305492
where:
bonds (distance) C4'-P energy: -108.700
bonds (distance) P-C4' energy: -116.185
flat angles C4'-P-C4' energy: -131.185
flat angles P-C4'-P energy: -78.012
tors. eta vs tors. theta energy: -147.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1710.734487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.734487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.734487 (E_RNA)
where:
Base-Base interactions energy: -1177.232
where: short stacking energy: -504.261
Base-Backbone interact. energy: -3.942
local terms energy: -529.560562
where:
bonds (distance) C4'-P energy: -108.845
bonds (distance) P-C4' energy: -104.383
flat angles C4'-P-C4' energy: -114.958
flat angles P-C4'-P energy: -66.924
tors. eta vs tors. theta energy: -134.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1540.199261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.199261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.199261 (E_RNA)
where:
Base-Base interactions energy: -1022.511
where: short stacking energy: -458.850
Base-Backbone interact. energy: -1.488
local terms energy: -516.200457
where:
bonds (distance) C4'-P energy: -87.630
bonds (distance) P-C4' energy: -117.804
flat angles C4'-P-C4' energy: -120.822
flat angles P-C4'-P energy: -75.253
tors. eta vs tors. theta energy: -114.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1364.536191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.536191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.536191 (E_RNA)
where:
Base-Base interactions energy: -880.417
where: short stacking energy: -382.351
Base-Backbone interact. energy: 1.730
local terms energy: -485.848653
where:
bonds (distance) C4'-P energy: -104.732
bonds (distance) P-C4' energy: -101.272
flat angles C4'-P-C4' energy: -105.999
flat angles P-C4'-P energy: -79.759
tors. eta vs tors. theta energy: -94.087
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: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1175.588649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.588649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.588649 (E_RNA)
where:
Base-Base interactions energy: -773.859
where: short stacking energy: -349.490
Base-Backbone interact. energy: -0.130
local terms energy: -401.599337
where:
bonds (distance) C4'-P energy: -95.908
bonds (distance) P-C4' energy: -99.283
flat angles C4'-P-C4' energy: -81.396
flat angles P-C4'-P energy: -46.863
tors. eta vs tors. theta energy: -78.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -763.050037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.050037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.050037 (E_RNA)
where:
Base-Base interactions energy: -412.276
where: short stacking energy: -218.813
Base-Backbone interact. energy: 0.525
local terms energy: -351.298638
where:
bonds (distance) C4'-P energy: -99.937
bonds (distance) P-C4' energy: -86.773
flat angles C4'-P-C4' energy: -90.194
flat angles P-C4'-P energy: -66.795
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -441.273525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.273525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.273525 (E_RNA)
where:
Base-Base interactions energy: -170.910
where: short stacking energy: -119.185
Base-Backbone interact. energy: -1.022
local terms energy: -269.341294
where:
bonds (distance) C4'-P energy: -108.694
bonds (distance) P-C4' energy: -80.433
flat angles C4'-P-C4' energy: -83.299
flat angles P-C4'-P energy: -30.834
tors. eta vs tors. theta energy: 33.920
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: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2075.202268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.202268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.202268 (E_RNA)
where:
Base-Base interactions energy: -1465.895
where: short stacking energy: -610.511
Base-Backbone interact. energy: -1.912
local terms energy: -607.395005
where:
bonds (distance) C4'-P energy: -108.237
bonds (distance) P-C4' energy: -112.014
flat angles C4'-P-C4' energy: -127.425
flat angles P-C4'-P energy: -78.884
tors. eta vs tors. theta energy: -180.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2043.032588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.032588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.032588 (E_RNA)
where:
Base-Base interactions energy: -1449.995
where: short stacking energy: -559.617
Base-Backbone interact. energy: -2.480
local terms energy: -590.557602
where:
bonds (distance) C4'-P energy: -114.114
bonds (distance) P-C4' energy: -102.006
flat angles C4'-P-C4' energy: -135.397
flat angles P-C4'-P energy: -79.799
tors. eta vs tors. theta energy: -159.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1934.230813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.230813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.230813 (E_RNA)
where:
Base-Base interactions energy: -1313.805
where: short stacking energy: -570.040
Base-Backbone interact. energy: -1.607
local terms energy: -618.818917
where:
bonds (distance) C4'-P energy: -111.191
bonds (distance) P-C4' energy: -113.237
flat angles C4'-P-C4' energy: -138.489
flat angles P-C4'-P energy: -85.610
tors. eta vs tors. theta energy: -170.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1819.239784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.239784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.239784 (E_RNA)
where:
Base-Base interactions energy: -1268.231
where: short stacking energy: -511.819
Base-Backbone interact. energy: -2.366
local terms energy: -548.643118
where:
bonds (distance) C4'-P energy: -95.802
bonds (distance) P-C4' energy: -112.786
flat angles C4'-P-C4' energy: -124.846
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -150.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1695.750749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.750749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.750749 (E_RNA)
where:
Base-Base interactions energy: -1159.263
where: short stacking energy: -475.795
Base-Backbone interact. energy: -2.488
local terms energy: -533.999414
where:
bonds (distance) C4'-P energy: -106.299
bonds (distance) P-C4' energy: -109.166
flat angles C4'-P-C4' energy: -115.106
flat angles P-C4'-P energy: -68.235
tors. eta vs tors. theta energy: -135.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1558.702477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.702477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.702477 (E_RNA)
where:
Base-Base interactions energy: -1030.740
where: short stacking energy: -458.833
Base-Backbone interact. energy: -0.918
local terms energy: -527.044363
where:
bonds (distance) C4'-P energy: -99.455
bonds (distance) P-C4' energy: -113.327
flat angles C4'-P-C4' energy: -113.156
flat angles P-C4'-P energy: -80.717
tors. eta vs tors. theta energy: -120.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1443.054221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.054221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.054221 (E_RNA)
where:
Base-Base interactions energy: -975.665
where: short stacking energy: -440.220
Base-Backbone interact. energy: -2.732
local terms energy: -464.657660
where:
bonds (distance) C4'-P energy: -97.157
bonds (distance) P-C4' energy: -85.558
flat angles C4'-P-C4' energy: -112.935
flat angles P-C4'-P energy: -59.672
tors. eta vs tors. theta energy: -109.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1174.851060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.851060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.851060 (E_RNA)
where:
Base-Base interactions energy: -741.742
where: short stacking energy: -301.671
Base-Backbone interact. energy: -0.606
local terms energy: -432.502125
where:
bonds (distance) C4'-P energy: -92.515
bonds (distance) P-C4' energy: -103.041
flat angles C4'-P-C4' energy: -103.222
flat angles P-C4'-P energy: -77.811
tors. eta vs tors. theta energy: -55.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -709.380692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.380692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.380692 (E_RNA)
where:
Base-Base interactions energy: -356.932
where: short stacking energy: -204.702
Base-Backbone interact. energy: 1.142
local terms energy: -353.590093
where:
bonds (distance) C4'-P energy: -91.688
bonds (distance) P-C4' energy: -94.817
flat angles C4'-P-C4' energy: -86.211
flat angles P-C4'-P energy: -64.312
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -451.237184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.237184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.237184 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -113.050
Base-Backbone interact. energy: 0.725
local terms energy: -310.371869
where:
bonds (distance) C4'-P energy: -98.470
bonds (distance) P-C4' energy: -91.863
flat angles C4'-P-C4' energy: -84.390
flat angles P-C4'-P energy: -53.678
tors. eta vs tors. theta energy: 18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2071.512870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.512870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.512870 (E_RNA)
where:
Base-Base interactions energy: -1424.905
where: short stacking energy: -599.312
Base-Backbone interact. energy: -1.085
local terms energy: -645.522658
where:
bonds (distance) C4'-P energy: -112.684
bonds (distance) P-C4' energy: -127.300
flat angles C4'-P-C4' energy: -131.409
flat angles P-C4'-P energy: -90.689
tors. eta vs tors. theta energy: -183.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2010.999770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.999770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.999770 (E_RNA)
where:
Base-Base interactions energy: -1386.236
where: short stacking energy: -552.809
Base-Backbone interact. energy: 0.489
local terms energy: -625.252565
where:
bonds (distance) C4'-P energy: -118.077
bonds (distance) P-C4' energy: -116.197
flat angles C4'-P-C4' energy: -128.385
flat angles P-C4'-P energy: -100.328
tors. eta vs tors. theta energy: -162.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1921.125039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.125039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.125039 (E_RNA)
where:
Base-Base interactions energy: -1318.409
where: short stacking energy: -578.039
Base-Backbone interact. energy: -4.099
local terms energy: -598.616525
where:
bonds (distance) C4'-P energy: -104.475
bonds (distance) P-C4' energy: -117.143
flat angles C4'-P-C4' energy: -120.176
flat angles P-C4'-P energy: -80.581
tors. eta vs tors. theta energy: -176.241
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: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1785.406032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.406032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.406032 (E_RNA)
where:
Base-Base interactions energy: -1234.905
where: short stacking energy: -521.753
Base-Backbone interact. energy: -1.186
local terms energy: -549.315773
where:
bonds (distance) C4'-P energy: -109.017
bonds (distance) P-C4' energy: -113.634
flat angles C4'-P-C4' energy: -113.456
flat angles P-C4'-P energy: -61.804
tors. eta vs tors. theta energy: -151.405
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: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1693.629731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.629731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.629731 (E_RNA)
where:
Base-Base interactions energy: -1151.446
where: short stacking energy: -490.311
Base-Backbone interact. energy: 1.310
local terms energy: -543.493309
where:
bonds (distance) C4'-P energy: -99.530
bonds (distance) P-C4' energy: -100.082
flat angles C4'-P-C4' energy: -111.779
flat angles P-C4'-P energy: -84.529
tors. eta vs tors. theta energy: -147.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1457.373222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.373222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.373222 (E_RNA)
where:
Base-Base interactions energy: -978.829
where: short stacking energy: -428.263
Base-Backbone interact. energy: -1.465
local terms energy: -477.079145
where:
bonds (distance) C4'-P energy: -86.797
bonds (distance) P-C4' energy: -100.532
flat angles C4'-P-C4' energy: -121.374
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: -106.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1427.085703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.085703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.085703 (E_RNA)
where:
Base-Base interactions energy: -951.596
where: short stacking energy: -403.435
Base-Backbone interact. energy: -1.924
local terms energy: -473.564944
where:
bonds (distance) C4'-P energy: -94.227
bonds (distance) P-C4' energy: -99.840
flat angles C4'-P-C4' energy: -118.089
flat angles P-C4'-P energy: -61.384
tors. eta vs tors. theta energy: -100.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1170.156509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.156509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.156509 (E_RNA)
where:
Base-Base interactions energy: -749.219
where: short stacking energy: -333.514
Base-Backbone interact. energy: -1.395
local terms energy: -419.542591
where:
bonds (distance) C4'-P energy: -82.414
bonds (distance) P-C4' energy: -109.311
flat angles C4'-P-C4' energy: -97.498
flat angles P-C4'-P energy: -55.895
tors. eta vs tors. theta energy: -74.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -736.225363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.225363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.225363 (E_RNA)
where:
Base-Base interactions energy: -402.881
where: short stacking energy: -221.967
Base-Backbone interact. energy: -1.070
local terms energy: -332.274484
where:
bonds (distance) C4'-P energy: -100.752
bonds (distance) P-C4' energy: -95.062
flat angles C4'-P-C4' energy: -83.405
flat angles P-C4'-P energy: -35.966
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -469.703152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.703152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.703152 (E_RNA)
where:
Base-Base interactions energy: -167.081
where: short stacking energy: -125.335
Base-Backbone interact. energy: -1.690
local terms energy: -300.932213
where:
bonds (distance) C4'-P energy: -116.797
bonds (distance) P-C4' energy: -95.871
flat angles C4'-P-C4' energy: -72.290
flat angles P-C4'-P energy: -50.200
tors. eta vs tors. theta energy: 34.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2073.817918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.817918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.817918 (E_RNA)
where:
Base-Base interactions energy: -1457.033
where: short stacking energy: -608.327
Base-Backbone interact. energy: -1.934
local terms energy: -614.850939
where:
bonds (distance) C4'-P energy: -111.995
bonds (distance) P-C4' energy: -119.183
flat angles C4'-P-C4' energy: -120.378
flat angles P-C4'-P energy: -81.329
tors. eta vs tors. theta energy: -181.966
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: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2027.971017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.971017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.971017 (E_RNA)
where:
Base-Base interactions energy: -1410.577
where: short stacking energy: -562.479
Base-Backbone interact. energy: -1.129
local terms energy: -616.265282
where:
bonds (distance) C4'-P energy: -112.199
bonds (distance) P-C4' energy: -111.389
flat angles C4'-P-C4' energy: -128.749
flat angles P-C4'-P energy: -100.685
tors. eta vs tors. theta energy: -163.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1888.841024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.841024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.841024 (E_RNA)
where:
Base-Base interactions energy: -1286.631
where: short stacking energy: -566.353
Base-Backbone interact. energy: -2.009
local terms energy: -600.200803
where:
bonds (distance) C4'-P energy: -105.072
bonds (distance) P-C4' energy: -113.841
flat angles C4'-P-C4' energy: -132.088
flat angles P-C4'-P energy: -77.481
tors. eta vs tors. theta energy: -171.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1798.283969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.283969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.283969 (E_RNA)
where:
Base-Base interactions energy: -1206.630
where: short stacking energy: -495.832
Base-Backbone interact. energy: -3.412
local terms energy: -588.241341
where:
bonds (distance) C4'-P energy: -100.574
bonds (distance) P-C4' energy: -118.718
flat angles C4'-P-C4' energy: -131.679
flat angles P-C4'-P energy: -90.189
tors. eta vs tors. theta energy: -147.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1667.071781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.071781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.071781 (E_RNA)
where:
Base-Base interactions energy: -1144.596
where: short stacking energy: -505.542
Base-Backbone interact. energy: -0.551
local terms energy: -521.924711
where:
bonds (distance) C4'-P energy: -98.583
bonds (distance) P-C4' energy: -87.754
flat angles C4'-P-C4' energy: -122.912
flat angles P-C4'-P energy: -67.241
tors. eta vs tors. theta energy: -145.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1546.049965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.049965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.049965 (E_RNA)
where:
Base-Base interactions energy: -1039.144
where: short stacking energy: -448.573
Base-Backbone interact. energy: -1.512
local terms energy: -505.393377
where:
bonds (distance) C4'-P energy: -102.580
bonds (distance) P-C4' energy: -102.954
flat angles C4'-P-C4' energy: -112.845
flat angles P-C4'-P energy: -69.861
tors. eta vs tors. theta energy: -117.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1384.998197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.998197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.998197 (E_RNA)
where:
Base-Base interactions energy: -937.704
where: short stacking energy: -416.582
Base-Backbone interact. energy: 1.110
local terms energy: -448.403600
where:
bonds (distance) C4'-P energy: -85.496
bonds (distance) P-C4' energy: -89.595
flat angles C4'-P-C4' energy: -100.407
flat angles P-C4'-P energy: -73.258
tors. eta vs tors. theta energy: -99.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1155.099733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.099733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.099733 (E_RNA)
where:
Base-Base interactions energy: -770.776
where: short stacking energy: -325.087
Base-Backbone interact. energy: 0.913
local terms energy: -385.237058
where:
bonds (distance) C4'-P energy: -84.737
bonds (distance) P-C4' energy: -98.539
flat angles C4'-P-C4' energy: -84.207
flat angles P-C4'-P energy: -63.313
tors. eta vs tors. theta energy: -54.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -704.656411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.656411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.656411 (E_RNA)
where:
Base-Base interactions energy: -365.254
where: short stacking energy: -219.321
Base-Backbone interact. energy: 4.471
local terms energy: -343.873327
where:
bonds (distance) C4'-P energy: -93.196
bonds (distance) P-C4' energy: -94.826
flat angles C4'-P-C4' energy: -96.050
flat angles P-C4'-P energy: -61.958
tors. eta vs tors. theta energy: 2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -477.990891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.990891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.990891 (E_RNA)
where:
Base-Base interactions energy: -164.408
where: short stacking energy: -113.817
Base-Backbone interact. energy: 4.327
local terms energy: -317.909318
where:
bonds (distance) C4'-P energy: -91.876
bonds (distance) P-C4' energy: -108.989
flat angles C4'-P-C4' energy: -94.499
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: 19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2052.750632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.750632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.750632 (E_RNA)
where:
Base-Base interactions energy: -1440.134
where: short stacking energy: -542.916
Base-Backbone interact. energy: -3.596
local terms energy: -609.020193
where:
bonds (distance) C4'-P energy: -121.668
bonds (distance) P-C4' energy: -115.895
flat angles C4'-P-C4' energy: -127.228
flat angles P-C4'-P energy: -85.406
tors. eta vs tors. theta energy: -158.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2031.324211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.324211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.324211 (E_RNA)
where:
Base-Base interactions energy: -1413.526
where: short stacking energy: -590.471
Base-Backbone interact. energy: 0.820
local terms energy: -618.618654
where:
bonds (distance) C4'-P energy: -104.267
bonds (distance) P-C4' energy: -113.802
flat angles C4'-P-C4' energy: -134.332
flat angles P-C4'-P energy: -94.923
tors. eta vs tors. theta energy: -171.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1905.429184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.429184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.429184 (E_RNA)
where:
Base-Base interactions energy: -1304.684
where: short stacking energy: -581.568
Base-Backbone interact. energy: -0.196
local terms energy: -600.550060
where:
bonds (distance) C4'-P energy: -110.119
bonds (distance) P-C4' energy: -115.166
flat angles C4'-P-C4' energy: -113.636
flat angles P-C4'-P energy: -83.681
tors. eta vs tors. theta energy: -177.948
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: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1776.988970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.988970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.988970 (E_RNA)
where:
Base-Base interactions energy: -1228.527
where: short stacking energy: -510.416
Base-Backbone interact. energy: 1.633
local terms energy: -550.094495
where:
bonds (distance) C4'-P energy: -107.170
bonds (distance) P-C4' energy: -115.312
flat angles C4'-P-C4' energy: -120.621
flat angles P-C4'-P energy: -65.236
tors. eta vs tors. theta energy: -141.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1619.644721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.644721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.644721 (E_RNA)
where:
Base-Base interactions energy: -1099.395
where: short stacking energy: -456.791
Base-Backbone interact. energy: 2.513
local terms energy: -522.763127
where:
bonds (distance) C4'-P energy: -108.234
bonds (distance) P-C4' energy: -101.857
flat angles C4'-P-C4' energy: -113.358
flat angles P-C4'-P energy: -69.611
tors. eta vs tors. theta energy: -129.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1547.664992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.664992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.664992 (E_RNA)
where:
Base-Base interactions energy: -1020.696
where: short stacking energy: -447.541
Base-Backbone interact. energy: -1.633
local terms energy: -525.336232
where:
bonds (distance) C4'-P energy: -113.041
bonds (distance) P-C4' energy: -93.991
flat angles C4'-P-C4' energy: -111.419
flat angles P-C4'-P energy: -78.915
tors. eta vs tors. theta energy: -127.971
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: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1418.637860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.637860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.637860 (E_RNA)
where:
Base-Base interactions energy: -947.651
where: short stacking energy: -392.679
Base-Backbone interact. energy: -0.270
local terms energy: -470.716554
where:
bonds (distance) C4'-P energy: -87.109
bonds (distance) P-C4' energy: -106.612
flat angles C4'-P-C4' energy: -99.317
flat angles P-C4'-P energy: -77.613
tors. eta vs tors. theta energy: -100.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1142.017944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.017944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.017944 (E_RNA)
where:
Base-Base interactions energy: -723.725
where: short stacking energy: -324.448
Base-Backbone interact. energy: -0.422
local terms energy: -417.871565
where:
bonds (distance) C4'-P energy: -105.419
bonds (distance) P-C4' energy: -98.318
flat angles C4'-P-C4' energy: -85.405
flat angles P-C4'-P energy: -67.564
tors. eta vs tors. theta energy: -61.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -763.898264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.898264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.898264 (E_RNA)
where:
Base-Base interactions energy: -397.972
where: short stacking energy: -216.811
Base-Backbone interact. energy: 4.623
local terms energy: -370.549708
where:
bonds (distance) C4'-P energy: -95.822
bonds (distance) P-C4' energy: -111.684
flat angles C4'-P-C4' energy: -94.955
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -488.603048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.603048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.603048 (E_RNA)
where:
Base-Base interactions energy: -185.688
where: short stacking energy: -151.693
Base-Backbone interact. energy: -1.752
local terms energy: -301.162739
where:
bonds (distance) C4'-P energy: -85.630
bonds (distance) P-C4' energy: -84.019
flat angles C4'-P-C4' energy: -87.466
flat angles P-C4'-P energy: -63.131
tors. eta vs tors. theta energy: 19.084
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: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2084.695211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.695211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.695211 (E_RNA)
where:
Base-Base interactions energy: -1458.511
where: short stacking energy: -591.158
Base-Backbone interact. energy: -4.267
local terms energy: -621.917057
where:
bonds (distance) C4'-P energy: -121.871
bonds (distance) P-C4' energy: -114.545
flat angles C4'-P-C4' energy: -135.506
flat angles P-C4'-P energy: -81.753
tors. eta vs tors. theta energy: -168.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2016.712293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.712293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.712293 (E_RNA)
where:
Base-Base interactions energy: -1404.079
where: short stacking energy: -570.546
Base-Backbone interact. energy: -3.786
local terms energy: -608.847720
where:
bonds (distance) C4'-P energy: -116.119
bonds (distance) P-C4' energy: -115.501
flat angles C4'-P-C4' energy: -122.823
flat angles P-C4'-P energy: -83.128
tors. eta vs tors. theta energy: -171.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1907.540627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.540627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.540627 (E_RNA)
where:
Base-Base interactions energy: -1313.806
where: short stacking energy: -572.805
Base-Backbone interact. energy: 1.757
local terms energy: -595.491200
where:
bonds (distance) C4'-P energy: -113.038
bonds (distance) P-C4' energy: -99.134
flat angles C4'-P-C4' energy: -128.601
flat angles P-C4'-P energy: -76.230
tors. eta vs tors. theta energy: -178.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1836.551244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.551244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.551244 (E_RNA)
where:
Base-Base interactions energy: -1275.366
where: short stacking energy: -540.868
Base-Backbone interact. energy: -0.637
local terms energy: -560.548279
where:
bonds (distance) C4'-P energy: -101.532
bonds (distance) P-C4' energy: -99.334
flat angles C4'-P-C4' energy: -122.130
flat angles P-C4'-P energy: -82.300
tors. eta vs tors. theta energy: -155.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1623.591164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.591164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.591164 (E_RNA)
where:
Base-Base interactions energy: -1105.414
where: short stacking energy: -464.023
Base-Backbone interact. energy: -0.454
local terms energy: -517.722995
where:
bonds (distance) C4'-P energy: -108.527
bonds (distance) P-C4' energy: -103.378
flat angles C4'-P-C4' energy: -110.400
flat angles P-C4'-P energy: -61.947
tors. eta vs tors. theta energy: -133.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1545.973973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.973973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.973973 (E_RNA)
where:
Base-Base interactions energy: -1038.318
where: short stacking energy: -436.991
Base-Backbone interact. energy: -3.437
local terms energy: -504.219054
where:
bonds (distance) C4'-P energy: -94.354
bonds (distance) P-C4' energy: -101.825
flat angles C4'-P-C4' energy: -111.755
flat angles P-C4'-P energy: -76.534
tors. eta vs tors. theta energy: -119.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1410.228773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.228773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.228773 (E_RNA)
where:
Base-Base interactions energy: -932.372
where: short stacking energy: -396.417
Base-Backbone interact. energy: -1.520
local terms energy: -476.336899
where:
bonds (distance) C4'-P energy: -106.291
bonds (distance) P-C4' energy: -96.155
flat angles C4'-P-C4' energy: -112.635
flat angles P-C4'-P energy: -66.397
tors. eta vs tors. theta energy: -94.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1142.622569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.622569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.622569 (E_RNA)
where:
Base-Base interactions energy: -718.998
where: short stacking energy: -333.494
Base-Backbone interact. energy: 0.737
local terms energy: -424.361080
where:
bonds (distance) C4'-P energy: -93.324
bonds (distance) P-C4' energy: -100.601
flat angles C4'-P-C4' energy: -92.271
flat angles P-C4'-P energy: -58.973
tors. eta vs tors. theta energy: -79.193
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: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -715.442135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.442135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.442135 (E_RNA)
where:
Base-Base interactions energy: -367.122
where: short stacking energy: -193.897
Base-Backbone interact. energy: 4.345
local terms energy: -352.665589
where:
bonds (distance) C4'-P energy: -109.553
bonds (distance) P-C4' energy: -116.020
flat angles C4'-P-C4' energy: -78.398
flat angles P-C4'-P energy: -47.921
tors. eta vs tors. theta energy: -0.774
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: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -446.605207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.605207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.605207 (E_RNA)
where:
Base-Base interactions energy: -162.460
where: short stacking energy: -113.205
Base-Backbone interact. energy: 0.401
local terms energy: -284.546991
where:
bonds (distance) C4'-P energy: -100.349
bonds (distance) P-C4' energy: -96.216
flat angles C4'-P-C4' energy: -73.287
flat angles P-C4'-P energy: -50.526
tors. eta vs tors. theta energy: 35.830
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: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2071.156251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.156251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.156251 (E_RNA)
where:
Base-Base interactions energy: -1447.080
where: short stacking energy: -579.601
Base-Backbone interact. energy: -2.766
local terms energy: -621.310615
where:
bonds (distance) C4'-P energy: -114.867
bonds (distance) P-C4' energy: -119.673
flat angles C4'-P-C4' energy: -134.690
flat angles P-C4'-P energy: -82.108
tors. eta vs tors. theta energy: -169.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2029.377341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.377341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.377341 (E_RNA)
where:
Base-Base interactions energy: -1413.663
where: short stacking energy: -593.063
Base-Backbone interact. energy: -2.502
local terms energy: -613.212822
where:
bonds (distance) C4'-P energy: -127.079
bonds (distance) P-C4' energy: -98.312
flat angles C4'-P-C4' energy: -129.075
flat angles P-C4'-P energy: -90.595
tors. eta vs tors. theta energy: -168.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1884.514967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.514967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.514967 (E_RNA)
where:
Base-Base interactions energy: -1285.076
where: short stacking energy: -561.952
Base-Backbone interact. energy: 3.621
local terms energy: -603.059890
where:
bonds (distance) C4'-P energy: -109.491
bonds (distance) P-C4' energy: -113.680
flat angles C4'-P-C4' energy: -135.545
flat angles P-C4'-P energy: -84.198
tors. eta vs tors. theta energy: -160.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1843.383502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.383502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.383502 (E_RNA)
where:
Base-Base interactions energy: -1278.886
where: short stacking energy: -529.547
Base-Backbone interact. energy: -2.118
local terms energy: -562.379389
where:
bonds (distance) C4'-P energy: -103.329
bonds (distance) P-C4' energy: -115.112
flat angles C4'-P-C4' energy: -131.046
flat angles P-C4'-P energy: -73.103
tors. eta vs tors. theta energy: -139.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1710.201051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.201051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.201051 (E_RNA)
where:
Base-Base interactions energy: -1153.264
where: short stacking energy: -504.093
Base-Backbone interact. energy: -2.094
local terms energy: -554.842640
where:
bonds (distance) C4'-P energy: -93.617
bonds (distance) P-C4' energy: -111.418
flat angles C4'-P-C4' energy: -123.641
flat angles P-C4'-P energy: -76.002
tors. eta vs tors. theta energy: -150.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1536.255683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.255683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.255683 (E_RNA)
where:
Base-Base interactions energy: -1033.296
where: short stacking energy: -439.412
Base-Backbone interact. energy: 4.270
local terms energy: -507.229055
where:
bonds (distance) C4'-P energy: -106.245
bonds (distance) P-C4' energy: -103.605
flat angles C4'-P-C4' energy: -105.598
flat angles P-C4'-P energy: -76.385
tors. eta vs tors. theta energy: -115.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1432.979955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.979955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.979955 (E_RNA)
where:
Base-Base interactions energy: -943.034
where: short stacking energy: -397.531
Base-Backbone interact. energy: -0.505
local terms energy: -489.441092
where:
bonds (distance) C4'-P energy: -96.572
bonds (distance) P-C4' energy: -108.986
flat angles C4'-P-C4' energy: -105.054
flat angles P-C4'-P energy: -83.567
tors. eta vs tors. theta energy: -95.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1184.461174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.461174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.461174 (E_RNA)
where:
Base-Base interactions energy: -736.974
where: short stacking energy: -335.116
Base-Backbone interact. energy: -0.567
local terms energy: -446.919959
where:
bonds (distance) C4'-P energy: -84.167
bonds (distance) P-C4' energy: -110.044
flat angles C4'-P-C4' energy: -121.410
flat angles P-C4'-P energy: -61.047
tors. eta vs tors. theta energy: -70.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -726.121755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.121755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.121755 (E_RNA)
where:
Base-Base interactions energy: -400.835
where: short stacking energy: -211.210
Base-Backbone interact. energy: 1.861
local terms energy: -327.147924
where:
bonds (distance) C4'-P energy: -87.165
bonds (distance) P-C4' energy: -92.450
flat angles C4'-P-C4' energy: -86.901
flat angles P-C4'-P energy: -48.610
tors. eta vs tors. theta energy: -12.023
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: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -471.813376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.813376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.813376 (E_RNA)
where:
Base-Base interactions energy: -160.433
where: short stacking energy: -139.316
Base-Backbone interact. energy: 1.993
local terms energy: -313.373386
where:
bonds (distance) C4'-P energy: -85.102
bonds (distance) P-C4' energy: -95.041
flat angles C4'-P-C4' energy: -84.725
flat angles P-C4'-P energy: -49.496
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: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2071.590978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.590978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.590978 (E_RNA)
where:
Base-Base interactions energy: -1425.214
where: short stacking energy: -544.860
Base-Backbone interact. energy: -2.652
local terms energy: -643.724830
where:
bonds (distance) C4'-P energy: -118.669
bonds (distance) P-C4' energy: -126.987
flat angles C4'-P-C4' energy: -143.044
flat angles P-C4'-P energy: -84.490
tors. eta vs tors. theta energy: -170.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2040.804346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.804346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.804346 (E_RNA)
where:
Base-Base interactions energy: -1416.005
where: short stacking energy: -563.642
Base-Backbone interact. energy: -1.480
local terms energy: -623.318650
where:
bonds (distance) C4'-P energy: -120.075
bonds (distance) P-C4' energy: -112.820
flat angles C4'-P-C4' energy: -120.532
flat angles P-C4'-P energy: -92.064
tors. eta vs tors. theta energy: -177.827
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: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1895.154909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.154909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.154909 (E_RNA)
where:
Base-Base interactions energy: -1284.582
where: short stacking energy: -560.811
Base-Backbone interact. energy: 0.612
local terms energy: -611.184312
where:
bonds (distance) C4'-P energy: -103.420
bonds (distance) P-C4' energy: -118.215
flat angles C4'-P-C4' energy: -125.129
flat angles P-C4'-P energy: -86.199
tors. eta vs tors. theta energy: -178.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1846.364611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.364611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.364611 (E_RNA)
where:
Base-Base interactions energy: -1305.187
where: short stacking energy: -521.202
Base-Backbone interact. energy: 0.142
local terms energy: -541.319579
where:
bonds (distance) C4'-P energy: -100.014
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -121.038
flat angles P-C4'-P energy: -77.110
tors. eta vs tors. theta energy: -149.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1657.158988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.158988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.158988 (E_RNA)
where:
Base-Base interactions energy: -1122.875
where: short stacking energy: -488.480
Base-Backbone interact. energy: 6.746
local terms energy: -541.030711
where:
bonds (distance) C4'-P energy: -110.238
bonds (distance) P-C4' energy: -102.813
flat angles C4'-P-C4' energy: -114.796
flat angles P-C4'-P energy: -66.310
tors. eta vs tors. theta energy: -146.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1543.391605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.391605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.391605 (E_RNA)
where:
Base-Base interactions energy: -1066.709
where: short stacking energy: -452.345
Base-Backbone interact. energy: 3.612
local terms energy: -480.295245
where:
bonds (distance) C4'-P energy: -89.520
bonds (distance) P-C4' energy: -100.943
flat angles C4'-P-C4' energy: -118.683
flat angles P-C4'-P energy: -60.476
tors. eta vs tors. theta energy: -110.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1369.794516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.794516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.794516 (E_RNA)
where:
Base-Base interactions energy: -888.988
where: short stacking energy: -389.722
Base-Backbone interact. energy: -2.595
local terms energy: -478.210919
where:
bonds (distance) C4'-P energy: -107.063
bonds (distance) P-C4' energy: -83.698
flat angles C4'-P-C4' energy: -103.336
flat angles P-C4'-P energy: -76.508
tors. eta vs tors. theta energy: -107.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1144.077965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.077965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.077965 (E_RNA)
where:
Base-Base interactions energy: -731.974
where: short stacking energy: -333.255
Base-Backbone interact. energy: 2.097
local terms energy: -414.200794
where:
bonds (distance) C4'-P energy: -84.345
bonds (distance) P-C4' energy: -99.684
flat angles C4'-P-C4' energy: -107.215
flat angles P-C4'-P energy: -56.825
tors. eta vs tors. theta energy: -66.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -731.130045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.130045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.130045 (E_RNA)
where:
Base-Base interactions energy: -366.980
where: short stacking energy: -191.491
Base-Backbone interact. energy: -4.416
local terms energy: -359.734625
where:
bonds (distance) C4'-P energy: -91.240
bonds (distance) P-C4' energy: -116.009
flat angles C4'-P-C4' energy: -91.412
flat angles P-C4'-P energy: -53.715
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -432.038576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.038576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.038576 (E_RNA)
where:
Base-Base interactions energy: -144.832
where: short stacking energy: -96.124
Base-Backbone interact. energy: -0.210
local terms energy: -286.995725
where:
bonds (distance) C4'-P energy: -93.267
bonds (distance) P-C4' energy: -101.854
flat angles C4'-P-C4' energy: -71.256
flat angles P-C4'-P energy: -46.553
tors. eta vs tors. theta energy: 25.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2088.535162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.535162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.535162 (E_RNA)
where:
Base-Base interactions energy: -1457.452
where: short stacking energy: -589.070
Base-Backbone interact. energy: -4.823
local terms energy: -626.260790
where:
bonds (distance) C4'-P energy: -114.138
bonds (distance) P-C4' energy: -126.814
flat angles C4'-P-C4' energy: -137.014
flat angles P-C4'-P energy: -82.028
tors. eta vs tors. theta energy: -166.267
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: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2010.341625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.341625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.341625 (E_RNA)
where:
Base-Base interactions energy: -1394.223
where: short stacking energy: -558.335
Base-Backbone interact. energy: -0.847
local terms energy: -615.272426
where:
bonds (distance) C4'-P energy: -113.750
bonds (distance) P-C4' energy: -101.745
flat angles C4'-P-C4' energy: -141.359
flat angles P-C4'-P energy: -80.486
tors. eta vs tors. theta energy: -177.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1927.517781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.517781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.517781 (E_RNA)
where:
Base-Base interactions energy: -1321.809
where: short stacking energy: -571.049
Base-Backbone interact. energy: -1.897
local terms energy: -603.811539
where:
bonds (distance) C4'-P energy: -115.578
bonds (distance) P-C4' energy: -111.007
flat angles C4'-P-C4' energy: -123.926
flat angles P-C4'-P energy: -81.811
tors. eta vs tors. theta energy: -171.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1812.490176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.490176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.490176 (E_RNA)
where:
Base-Base interactions energy: -1273.133
where: short stacking energy: -504.105
Base-Backbone interact. energy: -2.263
local terms energy: -537.094266
where:
bonds (distance) C4'-P energy: -88.067
bonds (distance) P-C4' energy: -104.228
flat angles C4'-P-C4' energy: -139.011
flat angles P-C4'-P energy: -65.555
tors. eta vs tors. theta energy: -140.232
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: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1613.838372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.838372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.838372 (E_RNA)
where:
Base-Base interactions energy: -1119.280
where: short stacking energy: -476.399
Base-Backbone interact. energy: 2.292
local terms energy: -496.850951
where:
bonds (distance) C4'-P energy: -95.084
bonds (distance) P-C4' energy: -100.457
flat angles C4'-P-C4' energy: -110.465
flat angles P-C4'-P energy: -78.706
tors. eta vs tors. theta energy: -112.139
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: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1517.279573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.279573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.279573 (E_RNA)
where:
Base-Base interactions energy: -998.594
where: short stacking energy: -435.339
Base-Backbone interact. energy: -4.635
local terms energy: -514.050411
where:
bonds (distance) C4'-P energy: -122.319
bonds (distance) P-C4' energy: -109.725
flat angles C4'-P-C4' energy: -98.151
flat angles P-C4'-P energy: -73.051
tors. eta vs tors. theta energy: -110.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1369.007058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.007058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.007058 (E_RNA)
where:
Base-Base interactions energy: -876.033
where: short stacking energy: -397.354
Base-Backbone interact. energy: -1.882
local terms energy: -491.091745
where:
bonds (distance) C4'-P energy: -105.794
bonds (distance) P-C4' energy: -105.252
flat angles C4'-P-C4' energy: -120.340
flat angles P-C4'-P energy: -60.268
tors. eta vs tors. theta energy: -99.438
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: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1129.455263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.455263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.455263 (E_RNA)
where:
Base-Base interactions energy: -738.506
where: short stacking energy: -312.931
Base-Backbone interact. energy: -0.442
local terms energy: -390.507458
where:
bonds (distance) C4'-P energy: -83.052
bonds (distance) P-C4' energy: -91.268
flat angles C4'-P-C4' energy: -89.062
flat angles P-C4'-P energy: -62.452
tors. eta vs tors. theta energy: -64.674
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: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -723.714196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.714196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.714196 (E_RNA)
where:
Base-Base interactions energy: -398.043
where: short stacking energy: -208.902
Base-Backbone interact. energy: 2.614
local terms energy: -328.285181
where:
bonds (distance) C4'-P energy: -82.177
bonds (distance) P-C4' energy: -97.025
flat angles C4'-P-C4' energy: -75.354
flat angles P-C4'-P energy: -64.194
tors. eta vs tors. theta energy: -9.535
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: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -431.391375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.391375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.391375 (E_RNA)
where:
Base-Base interactions energy: -171.210
where: short stacking energy: -154.996
Base-Backbone interact. energy: 2.126
local terms energy: -262.308026
where:
bonds (distance) C4'-P energy: -80.701
bonds (distance) P-C4' energy: -86.326
flat angles C4'-P-C4' energy: -73.820
flat angles P-C4'-P energy: -31.809
tors. eta vs tors. theta energy: 10.347
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: 355
Temperature: 0.900000
Total energy: -2069.329363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.329363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.329363 (E_RNA)
where:
Base-Base interactions energy: -1450.483
where: short stacking energy: -583.831
Base-Backbone interact. energy: -3.402
local terms energy: -615.443717
where:
bonds (distance) C4'-P energy: -122.156
bonds (distance) P-C4' energy: -120.739
flat angles C4'-P-C4' energy: -123.441
flat angles P-C4'-P energy: -75.074
tors. eta vs tors. theta energy: -174.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2031.133886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.133886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.133886 (E_RNA)
where:
Base-Base interactions energy: -1403.451
where: short stacking energy: -576.199
Base-Backbone interact. energy: -2.413
local terms energy: -625.269672
where:
bonds (distance) C4'-P energy: -116.990
bonds (distance) P-C4' energy: -125.045
flat angles C4'-P-C4' energy: -132.223
flat angles P-C4'-P energy: -76.649
tors. eta vs tors. theta energy: -174.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1920.869816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.869816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.869816 (E_RNA)
where:
Base-Base interactions energy: -1304.981
where: short stacking energy: -564.314
Base-Backbone interact. energy: -3.190
local terms energy: -612.698359
where:
bonds (distance) C4'-P energy: -123.060
bonds (distance) P-C4' energy: -122.089
flat angles C4'-P-C4' energy: -123.103
flat angles P-C4'-P energy: -75.611
tors. eta vs tors. theta energy: -168.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1823.645245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.645245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.645245 (E_RNA)
where:
Base-Base interactions energy: -1258.166
where: short stacking energy: -493.527
Base-Backbone interact. energy: 1.068
local terms energy: -566.547776
where:
bonds (distance) C4'-P energy: -106.278
bonds (distance) P-C4' energy: -123.380
flat angles C4'-P-C4' energy: -120.597
flat angles P-C4'-P energy: -80.108
tors. eta vs tors. theta energy: -136.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1593.777531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.777531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.777531 (E_RNA)
where:
Base-Base interactions energy: -1064.600
where: short stacking energy: -455.905
Base-Backbone interact. energy: 3.825
local terms energy: -533.003145
where:
bonds (distance) C4'-P energy: -98.019
bonds (distance) P-C4' energy: -119.634
flat angles C4'-P-C4' energy: -115.823
flat angles P-C4'-P energy: -83.650
tors. eta vs tors. theta energy: -115.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1551.776427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.776427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.776427 (E_RNA)
where:
Base-Base interactions energy: -1039.865
where: short stacking energy: -455.155
Base-Backbone interact. energy: -2.014
local terms energy: -509.897461
where:
bonds (distance) C4'-P energy: -106.578
bonds (distance) P-C4' energy: -110.057
flat angles C4'-P-C4' energy: -105.330
flat angles P-C4'-P energy: -69.019
tors. eta vs tors. theta energy: -118.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1357.996286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.996286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.996286 (E_RNA)
where:
Base-Base interactions energy: -892.532
where: short stacking energy: -386.603
Base-Backbone interact. energy: -0.626
local terms energy: -464.838258
where:
bonds (distance) C4'-P energy: -102.061
bonds (distance) P-C4' energy: -111.309
flat angles C4'-P-C4' energy: -99.572
flat angles P-C4'-P energy: -66.796
tors. eta vs tors. theta energy: -85.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1203.728902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.728902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.728902 (E_RNA)
where:
Base-Base interactions energy: -785.950
where: short stacking energy: -342.165
Base-Backbone interact. energy: 0.884
local terms energy: -418.662676
where:
bonds (distance) C4'-P energy: -89.839
bonds (distance) P-C4' energy: -100.417
flat angles C4'-P-C4' energy: -85.529
flat angles P-C4'-P energy: -64.529
tors. eta vs tors. theta energy: -78.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -706.165430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.165430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.165430 (E_RNA)
where:
Base-Base interactions energy: -377.090
where: short stacking energy: -199.901
Base-Backbone interact. energy: 4.558
local terms energy: -333.633108
where:
bonds (distance) C4'-P energy: -76.505
bonds (distance) P-C4' energy: -105.018
flat angles C4'-P-C4' energy: -91.679
flat angles P-C4'-P energy: -61.444
tors. eta vs tors. theta energy: 1.013
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: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -474.199974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.199974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.199974 (E_RNA)
where:
Base-Base interactions energy: -183.713
where: short stacking energy: -137.855
Base-Backbone interact. energy: 10.840
local terms energy: -301.327036
where:
bonds (distance) C4'-P energy: -92.805
bonds (distance) P-C4' energy: -103.123
flat angles C4'-P-C4' energy: -78.030
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: 17.011
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: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2061.087671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.087671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.087671 (E_RNA)
where:
Base-Base interactions energy: -1461.168
where: short stacking energy: -592.703
Base-Backbone interact. energy: -4.276
local terms energy: -595.643918
where:
bonds (distance) C4'-P energy: -96.467
bonds (distance) P-C4' energy: -116.038
flat angles C4'-P-C4' energy: -130.100
flat angles P-C4'-P energy: -85.893
tors. eta vs tors. theta energy: -167.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2005.778493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.778493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.778493 (E_RNA)
where:
Base-Base interactions energy: -1385.987
where: short stacking energy: -572.258
Base-Backbone interact. energy: 1.671
local terms energy: -621.462421
where:
bonds (distance) C4'-P energy: -122.602
bonds (distance) P-C4' energy: -120.373
flat angles C4'-P-C4' energy: -119.109
flat angles P-C4'-P energy: -84.490
tors. eta vs tors. theta energy: -174.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1941.826063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.826063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.826063 (E_RNA)
where:
Base-Base interactions energy: -1314.126
where: short stacking energy: -571.576
Base-Backbone interact. energy: -1.487
local terms energy: -626.213664
where:
bonds (distance) C4'-P energy: -114.720
bonds (distance) P-C4' energy: -121.673
flat angles C4'-P-C4' energy: -119.252
flat angles P-C4'-P energy: -90.187
tors. eta vs tors. theta energy: -180.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1830.705237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.705237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.705237 (E_RNA)
where:
Base-Base interactions energy: -1267.761
where: short stacking energy: -523.377
Base-Backbone interact. energy: 0.484
local terms energy: -563.428191
where:
bonds (distance) C4'-P energy: -113.435
bonds (distance) P-C4' energy: -110.800
flat angles C4'-P-C4' energy: -122.829
flat angles P-C4'-P energy: -75.169
tors. eta vs tors. theta energy: -141.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1591.939151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.939151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.939151 (E_RNA)
where:
Base-Base interactions energy: -1109.130
where: short stacking energy: -461.240
Base-Backbone interact. energy: -0.740
local terms energy: -482.068630
where:
bonds (distance) C4'-P energy: -86.229
bonds (distance) P-C4' energy: -94.756
flat angles C4'-P-C4' energy: -107.875
flat angles P-C4'-P energy: -63.551
tors. eta vs tors. theta energy: -129.658
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: 356
Temperature: 1.150000
Total energy: -1579.698964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.698964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.698964 (E_RNA)
where:
Base-Base interactions energy: -1046.645
where: short stacking energy: -451.096
Base-Backbone interact. energy: -0.920
local terms energy: -532.133902
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -105.483
flat angles C4'-P-C4' energy: -113.142
flat angles P-C4'-P energy: -78.201
tors. eta vs tors. theta energy: -129.148
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: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1383.507491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.507491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.507491 (E_RNA)
where:
Base-Base interactions energy: -876.332
where: short stacking energy: -393.857
Base-Backbone interact. energy: -1.638
local terms energy: -505.537625
where:
bonds (distance) C4'-P energy: -106.901
bonds (distance) P-C4' energy: -105.058
flat angles C4'-P-C4' energy: -117.874
flat angles P-C4'-P energy: -75.361
tors. eta vs tors. theta energy: -100.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1185.069367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.069367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.069367 (E_RNA)
where:
Base-Base interactions energy: -765.951
where: short stacking energy: -322.551
Base-Backbone interact. energy: 1.404
local terms energy: -420.522061
where:
bonds (distance) C4'-P energy: -89.227
bonds (distance) P-C4' energy: -103.890
flat angles C4'-P-C4' energy: -93.972
flat angles P-C4'-P energy: -70.108
tors. eta vs tors. theta energy: -63.324
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -734.188531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.188531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.188531 (E_RNA)
where:
Base-Base interactions energy: -363.188
where: short stacking energy: -198.684
Base-Backbone interact. energy: -1.531
local terms energy: -369.469784
where:
bonds (distance) C4'-P energy: -98.453
bonds (distance) P-C4' energy: -105.839
flat angles C4'-P-C4' energy: -98.275
flat angles P-C4'-P energy: -65.928
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -471.286981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.286981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.286981 (E_RNA)
where:
Base-Base interactions energy: -187.962
where: short stacking energy: -95.407
Base-Backbone interact. energy: 0.907
local terms energy: -284.232272
where:
bonds (distance) C4'-P energy: -83.650
bonds (distance) P-C4' energy: -100.200
flat angles C4'-P-C4' energy: -82.206
flat angles P-C4'-P energy: -54.966
tors. eta vs tors. theta energy: 36.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2081.746641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.746641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.746641 (E_RNA)
where:
Base-Base interactions energy: -1436.234
where: short stacking energy: -609.371
Base-Backbone interact. energy: -2.303
local terms energy: -643.209070
where:
bonds (distance) C4'-P energy: -131.826
bonds (distance) P-C4' energy: -106.223
flat angles C4'-P-C4' energy: -137.761
flat angles P-C4'-P energy: -82.573
tors. eta vs tors. theta energy: -184.826
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2005.768766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.768766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.768766 (E_RNA)
where:
Base-Base interactions energy: -1371.302
where: short stacking energy: -565.955
Base-Backbone interact. energy: -0.713
local terms energy: -633.753585
where:
bonds (distance) C4'-P energy: -121.727
bonds (distance) P-C4' energy: -113.174
flat angles C4'-P-C4' energy: -135.659
flat angles P-C4'-P energy: -88.087
tors. eta vs tors. theta energy: -175.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1916.962869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.962869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.962869 (E_RNA)
where:
Base-Base interactions energy: -1285.709
where: short stacking energy: -571.943
Base-Backbone interact. energy: 4.071
local terms energy: -635.324843
where:
bonds (distance) C4'-P energy: -113.640
bonds (distance) P-C4' energy: -119.577
flat angles C4'-P-C4' energy: -135.205
flat angles P-C4'-P energy: -88.273
tors. eta vs tors. theta energy: -178.629
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: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1791.831283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.831283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.831283 (E_RNA)
where:
Base-Base interactions energy: -1217.414
where: short stacking energy: -507.090
Base-Backbone interact. energy: -3.704
local terms energy: -570.713388
where:
bonds (distance) C4'-P energy: -119.990
bonds (distance) P-C4' energy: -113.209
flat angles C4'-P-C4' energy: -120.916
flat angles P-C4'-P energy: -77.390
tors. eta vs tors. theta energy: -139.208
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: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1627.870909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.870909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.870909 (E_RNA)
where:
Base-Base interactions energy: -1091.212
where: short stacking energy: -463.609
Base-Backbone interact. energy: 1.097
local terms energy: -537.755531
where:
bonds (distance) C4'-P energy: -108.156
bonds (distance) P-C4' energy: -113.478
flat angles C4'-P-C4' energy: -126.023
flat angles P-C4'-P energy: -62.479
tors. eta vs tors. theta energy: -127.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1612.415315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.415315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.415315 (E_RNA)
where:
Base-Base interactions energy: -1078.022
where: short stacking energy: -471.946
Base-Backbone interact. energy: -1.553
local terms energy: -532.841079
where:
bonds (distance) C4'-P energy: -106.143
bonds (distance) P-C4' energy: -110.964
flat angles C4'-P-C4' energy: -122.928
flat angles P-C4'-P energy: -66.310
tors. eta vs tors. theta energy: -126.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1366.455922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.455922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.455922 (E_RNA)
where:
Base-Base interactions energy: -915.127
where: short stacking energy: -415.265
Base-Backbone interact. energy: -2.282
local terms energy: -449.046322
where:
bonds (distance) C4'-P energy: -91.983
bonds (distance) P-C4' energy: -99.821
flat angles C4'-P-C4' energy: -110.073
flat angles P-C4'-P energy: -48.886
tors. eta vs tors. theta energy: -98.284
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: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1179.730292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.730292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.730292 (E_RNA)
where:
Base-Base interactions energy: -735.991
where: short stacking energy: -335.465
Base-Backbone interact. energy: -0.313
local terms energy: -443.426047
where:
bonds (distance) C4'-P energy: -100.696
bonds (distance) P-C4' energy: -110.951
flat angles C4'-P-C4' energy: -95.319
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -82.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -676.645459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.645459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.645459 (E_RNA)
where:
Base-Base interactions energy: -343.702
where: short stacking energy: -195.098
Base-Backbone interact. energy: -3.242
local terms energy: -329.700977
where:
bonds (distance) C4'-P energy: -85.190
bonds (distance) P-C4' energy: -107.546
flat angles C4'-P-C4' energy: -74.404
flat angles P-C4'-P energy: -52.937
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -438.782943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.782943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.782943 (E_RNA)
where:
Base-Base interactions energy: -164.150
where: short stacking energy: -132.702
Base-Backbone interact. energy: 0.377
local terms energy: -275.009273
where:
bonds (distance) C4'-P energy: -81.830
bonds (distance) P-C4' energy: -89.011
flat angles C4'-P-C4' energy: -69.020
flat angles P-C4'-P energy: -57.770
tors. eta vs tors. theta energy: 22.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2089.894672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.894672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.894672 (E_RNA)
where:
Base-Base interactions energy: -1450.881
where: short stacking energy: -597.733
Base-Backbone interact. energy: -5.222
local terms energy: -633.791838
where:
bonds (distance) C4'-P energy: -112.450
bonds (distance) P-C4' energy: -113.808
flat angles C4'-P-C4' energy: -141.513
flat angles P-C4'-P energy: -82.998
tors. eta vs tors. theta energy: -183.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2021.079410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.079410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.079410 (E_RNA)
where:
Base-Base interactions energy: -1395.653
where: short stacking energy: -567.665
Base-Backbone interact. energy: -1.870
local terms energy: -623.555910
where:
bonds (distance) C4'-P energy: -106.760
bonds (distance) P-C4' energy: -123.755
flat angles C4'-P-C4' energy: -130.193
flat angles P-C4'-P energy: -86.773
tors. eta vs tors. theta energy: -176.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1944.859398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.859398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.859398 (E_RNA)
where:
Base-Base interactions energy: -1337.165
where: short stacking energy: -574.136
Base-Backbone interact. energy: -2.612
local terms energy: -605.082161
where:
bonds (distance) C4'-P energy: -93.566
bonds (distance) P-C4' energy: -116.510
flat angles C4'-P-C4' energy: -134.623
flat angles P-C4'-P energy: -81.387
tors. eta vs tors. theta energy: -178.997
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: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1773.737715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.737715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.737715 (E_RNA)
where:
Base-Base interactions energy: -1222.625
where: short stacking energy: -499.664
Base-Backbone interact. energy: -3.820
local terms energy: -547.293512
where:
bonds (distance) C4'-P energy: -98.391
bonds (distance) P-C4' energy: -117.801
flat angles C4'-P-C4' energy: -117.349
flat angles P-C4'-P energy: -78.178
tors. eta vs tors. theta energy: -135.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1605.801577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.801577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.801577 (E_RNA)
where:
Base-Base interactions energy: -1070.202
where: short stacking energy: -457.295
Base-Backbone interact. energy: 0.273
local terms energy: -535.872389
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -105.328
flat angles C4'-P-C4' energy: -113.214
flat angles P-C4'-P energy: -78.196
tors. eta vs tors. theta energy: -131.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1595.891460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.891460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.891460 (E_RNA)
where:
Base-Base interactions energy: -1093.415
where: short stacking energy: -460.910
Base-Backbone interact. energy: 3.676
local terms energy: -506.152258
where:
bonds (distance) C4'-P energy: -103.408
bonds (distance) P-C4' energy: -90.808
flat angles C4'-P-C4' energy: -100.051
flat angles P-C4'-P energy: -73.422
tors. eta vs tors. theta energy: -138.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1415.077507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.077507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.077507 (E_RNA)
where:
Base-Base interactions energy: -932.937
where: short stacking energy: -394.951
Base-Backbone interact. energy: -0.777
local terms energy: -481.363851
where:
bonds (distance) C4'-P energy: -89.906
bonds (distance) P-C4' energy: -104.316
flat angles C4'-P-C4' energy: -111.905
flat angles P-C4'-P energy: -73.421
tors. eta vs tors. theta energy: -101.816
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: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1215.660394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.660394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.660394 (E_RNA)
where:
Base-Base interactions energy: -791.848
where: short stacking energy: -349.697
Base-Backbone interact. energy: -1.800
local terms energy: -422.012021
where:
bonds (distance) C4'-P energy: -90.429
bonds (distance) P-C4' energy: -93.968
flat angles C4'-P-C4' energy: -103.585
flat angles P-C4'-P energy: -59.673
tors. eta vs tors. theta energy: -74.357
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: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -657.029325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.029325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.029325 (E_RNA)
where:
Base-Base interactions energy: -328.718
where: short stacking energy: -188.161
Base-Backbone interact. energy: -1.655
local terms energy: -326.657165
where:
bonds (distance) C4'-P energy: -78.729
bonds (distance) P-C4' energy: -100.464
flat angles C4'-P-C4' energy: -84.410
flat angles P-C4'-P energy: -49.624
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -449.061587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.061587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.061587 (E_RNA)
where:
Base-Base interactions energy: -163.091
where: short stacking energy: -144.351
Base-Backbone interact. energy: -1.026
local terms energy: -284.944616
where:
bonds (distance) C4'-P energy: -83.111
bonds (distance) P-C4' energy: -101.976
flat angles C4'-P-C4' energy: -56.000
flat angles P-C4'-P energy: -64.199
tors. eta vs tors. theta energy: 20.341
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: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2074.171294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.171294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.171294 (E_RNA)
where:
Base-Base interactions energy: -1435.284
where: short stacking energy: -598.152
Base-Backbone interact. energy: -0.253
local terms energy: -638.633867
where:
bonds (distance) C4'-P energy: -124.511
bonds (distance) P-C4' energy: -114.268
flat angles C4'-P-C4' energy: -138.428
flat angles P-C4'-P energy: -88.262
tors. eta vs tors. theta energy: -173.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2006.377038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.377038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.377038 (E_RNA)
where:
Base-Base interactions energy: -1379.239
where: short stacking energy: -578.275
Base-Backbone interact. energy: -2.842
local terms energy: -624.295912
where:
bonds (distance) C4'-P energy: -118.886
bonds (distance) P-C4' energy: -107.121
flat angles C4'-P-C4' energy: -133.432
flat angles P-C4'-P energy: -80.939
tors. eta vs tors. theta energy: -183.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1964.119520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.119520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.119520 (E_RNA)
where:
Base-Base interactions energy: -1342.796
where: short stacking energy: -583.229
Base-Backbone interact. energy: -1.069
local terms energy: -620.254619
where:
bonds (distance) C4'-P energy: -115.470
bonds (distance) P-C4' energy: -116.779
flat angles C4'-P-C4' energy: -132.522
flat angles P-C4'-P energy: -83.181
tors. eta vs tors. theta energy: -172.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1795.191173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.191173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.191173 (E_RNA)
where:
Base-Base interactions energy: -1223.805
where: short stacking energy: -503.733
Base-Backbone interact. energy: -2.833
local terms energy: -568.553365
where:
bonds (distance) C4'-P energy: -109.790
bonds (distance) P-C4' energy: -118.267
flat angles C4'-P-C4' energy: -125.127
flat angles P-C4'-P energy: -80.070
tors. eta vs tors. theta energy: -135.300
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: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1624.067768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.067768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.067768 (E_RNA)
where:
Base-Base interactions energy: -1090.340
where: short stacking energy: -492.464
Base-Backbone interact. energy: -1.348
local terms energy: -532.379804
where:
bonds (distance) C4'-P energy: -89.365
bonds (distance) P-C4' energy: -116.797
flat angles C4'-P-C4' energy: -109.648
flat angles P-C4'-P energy: -78.282
tors. eta vs tors. theta energy: -138.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1589.969820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.969820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.969820 (E_RNA)
where:
Base-Base interactions energy: -1061.568
where: short stacking energy: -461.915
Base-Backbone interact. energy: 3.336
local terms energy: -531.737881
where:
bonds (distance) C4'-P energy: -102.952
bonds (distance) P-C4' energy: -112.571
flat angles C4'-P-C4' energy: -108.301
flat angles P-C4'-P energy: -69.687
tors. eta vs tors. theta energy: -138.226
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: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1394.307664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.307664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.307664 (E_RNA)
where:
Base-Base interactions energy: -909.931
where: short stacking energy: -400.084
Base-Backbone interact. energy: -0.833
local terms energy: -483.543898
where:
bonds (distance) C4'-P energy: -107.303
bonds (distance) P-C4' energy: -104.671
flat angles C4'-P-C4' energy: -101.240
flat angles P-C4'-P energy: -72.544
tors. eta vs tors. theta energy: -97.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1142.475727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.475727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.475727 (E_RNA)
where:
Base-Base interactions energy: -743.487
where: short stacking energy: -306.204
Base-Backbone interact. energy: -1.059
local terms energy: -397.929415
where:
bonds (distance) C4'-P energy: -93.852
bonds (distance) P-C4' energy: -104.061
flat angles C4'-P-C4' energy: -103.362
flat angles P-C4'-P energy: -51.306
tors. eta vs tors. theta energy: -45.347
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: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -734.625170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.625170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.625170 (E_RNA)
where:
Base-Base interactions energy: -353.707
where: short stacking energy: -185.403
Base-Backbone interact. energy: 1.342
local terms energy: -382.259624
where:
bonds (distance) C4'-P energy: -106.785
bonds (distance) P-C4' energy: -108.081
flat angles C4'-P-C4' energy: -101.565
flat angles P-C4'-P energy: -50.716
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -483.312937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.312937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.312937 (E_RNA)
where:
Base-Base interactions energy: -179.225
where: short stacking energy: -137.309
Base-Backbone interact. energy: -1.572
local terms energy: -302.515946
where:
bonds (distance) C4'-P energy: -70.449
bonds (distance) P-C4' energy: -105.928
flat angles C4'-P-C4' energy: -92.537
flat angles P-C4'-P energy: -56.220
tors. eta vs tors. theta energy: 22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2057.863117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.863117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.863117 (E_RNA)
where:
Base-Base interactions energy: -1430.403
where: short stacking energy: -588.634
Base-Backbone interact. energy: -3.853
local terms energy: -623.607482
where:
bonds (distance) C4'-P energy: -128.811
bonds (distance) P-C4' energy: -104.522
flat angles C4'-P-C4' energy: -126.159
flat angles P-C4'-P energy: -86.739
tors. eta vs tors. theta energy: -177.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1997.347927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.347927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.347927 (E_RNA)
where:
Base-Base interactions energy: -1388.246
where: short stacking energy: -556.204
Base-Backbone interact. energy: -2.745
local terms energy: -606.356988
where:
bonds (distance) C4'-P energy: -111.776
bonds (distance) P-C4' energy: -102.188
flat angles C4'-P-C4' energy: -137.675
flat angles P-C4'-P energy: -87.470
tors. eta vs tors. theta energy: -167.248
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: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1917.281582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.281582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.281582 (E_RNA)
where:
Base-Base interactions energy: -1338.093
where: short stacking energy: -573.320
Base-Backbone interact. energy: 1.957
local terms energy: -581.145549
where:
bonds (distance) C4'-P energy: -114.101
bonds (distance) P-C4' energy: -100.119
flat angles C4'-P-C4' energy: -119.699
flat angles P-C4'-P energy: -79.464
tors. eta vs tors. theta energy: -167.762
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: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1796.851987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.851987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.851987 (E_RNA)
where:
Base-Base interactions energy: -1236.573
where: short stacking energy: -491.048
Base-Backbone interact. energy: -0.181
local terms energy: -560.097146
where:
bonds (distance) C4'-P energy: -97.167
bonds (distance) P-C4' energy: -112.319
flat angles C4'-P-C4' energy: -124.469
flat angles P-C4'-P energy: -82.852
tors. eta vs tors. theta energy: -143.291
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: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1621.845000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.845000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.845000 (E_RNA)
where:
Base-Base interactions energy: -1100.405
where: short stacking energy: -466.028
Base-Backbone interact. energy: -3.800
local terms energy: -517.640398
where:
bonds (distance) C4'-P energy: -113.064
bonds (distance) P-C4' energy: -101.251
flat angles C4'-P-C4' energy: -109.091
flat angles P-C4'-P energy: -63.843
tors. eta vs tors. theta energy: -130.391
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: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1554.549928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.549928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.549928 (E_RNA)
where:
Base-Base interactions energy: -1063.319
where: short stacking energy: -462.370
Base-Backbone interact. energy: -0.650
local terms energy: -490.581523
where:
bonds (distance) C4'-P energy: -86.502
bonds (distance) P-C4' energy: -92.321
flat angles C4'-P-C4' energy: -122.808
flat angles P-C4'-P energy: -68.837
tors. eta vs tors. theta energy: -120.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1420.639101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.639101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.639101 (E_RNA)
where:
Base-Base interactions energy: -930.165
where: short stacking energy: -419.142
Base-Backbone interact. energy: -0.279
local terms energy: -490.195418
where:
bonds (distance) C4'-P energy: -97.955
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -105.877
flat angles P-C4'-P energy: -77.878
tors. eta vs tors. theta energy: -106.518
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: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1195.503695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.503695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.503695 (E_RNA)
where:
Base-Base interactions energy: -763.952
where: short stacking energy: -327.535
Base-Backbone interact. energy: 0.909
local terms energy: -432.460225
where:
bonds (distance) C4'-P energy: -84.082
bonds (distance) P-C4' energy: -91.344
flat angles C4'-P-C4' energy: -114.027
flat angles P-C4'-P energy: -64.325
tors. eta vs tors. theta energy: -78.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -748.180817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.180817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.180817 (E_RNA)
where:
Base-Base interactions energy: -382.310
where: short stacking energy: -214.000
Base-Backbone interact. energy: 3.544
local terms energy: -369.414655
where:
bonds (distance) C4'-P energy: -99.919
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -65.671
flat angles P-C4'-P energy: -71.112
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -485.441071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.441071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.441071 (E_RNA)
where:
Base-Base interactions energy: -160.573
where: short stacking energy: -115.625
Base-Backbone interact. energy: -1.164
local terms energy: -323.704028
where:
bonds (distance) C4'-P energy: -103.373
bonds (distance) P-C4' energy: -117.120
flat angles C4'-P-C4' energy: -83.835
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: 35.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2057.074888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.074888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.074888 (E_RNA)
where:
Base-Base interactions energy: -1432.276
where: short stacking energy: -574.868
Base-Backbone interact. energy: -3.163
local terms energy: -621.636421
where:
bonds (distance) C4'-P energy: -126.613
bonds (distance) P-C4' energy: -109.478
flat angles C4'-P-C4' energy: -132.499
flat angles P-C4'-P energy: -78.783
tors. eta vs tors. theta energy: -174.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1999.031600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.031600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.031600 (E_RNA)
where:
Base-Base interactions energy: -1390.931
where: short stacking energy: -571.577
Base-Backbone interact. energy: -0.702
local terms energy: -607.397802
where:
bonds (distance) C4'-P energy: -110.635
bonds (distance) P-C4' energy: -113.244
flat angles C4'-P-C4' energy: -130.386
flat angles P-C4'-P energy: -91.581
tors. eta vs tors. theta energy: -161.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1938.203075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.203075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.203075 (E_RNA)
where:
Base-Base interactions energy: -1318.505
where: short stacking energy: -562.321
Base-Backbone interact. energy: -2.570
local terms energy: -617.127669
where:
bonds (distance) C4'-P energy: -119.641
bonds (distance) P-C4' energy: -104.378
flat angles C4'-P-C4' energy: -130.905
flat angles P-C4'-P energy: -89.610
tors. eta vs tors. theta energy: -172.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1767.656560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.656560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.656560 (E_RNA)
where:
Base-Base interactions energy: -1207.455
where: short stacking energy: -507.206
Base-Backbone interact. energy: -0.616
local terms energy: -559.585456
where:
bonds (distance) C4'-P energy: -108.063
bonds (distance) P-C4' energy: -100.823
flat angles C4'-P-C4' energy: -121.707
flat angles P-C4'-P energy: -79.991
tors. eta vs tors. theta energy: -149.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1605.011800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.011800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.011800 (E_RNA)
where:
Base-Base interactions energy: -1092.669
where: short stacking energy: -482.980
Base-Backbone interact. energy: 1.670
local terms energy: -514.012206
where:
bonds (distance) C4'-P energy: -88.182
bonds (distance) P-C4' energy: -123.049
flat angles C4'-P-C4' energy: -102.460
flat angles P-C4'-P energy: -70.666
tors. eta vs tors. theta energy: -129.655
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: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1501.740979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.740979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.740979 (E_RNA)
where:
Base-Base interactions energy: -998.469
where: short stacking energy: -434.568
Base-Backbone interact. energy: 8.054
local terms energy: -511.325624
where:
bonds (distance) C4'-P energy: -98.995
bonds (distance) P-C4' energy: -99.257
flat angles C4'-P-C4' energy: -106.604
flat angles P-C4'-P energy: -88.534
tors. eta vs tors. theta energy: -117.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1502.492684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.492684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.492684 (E_RNA)
where:
Base-Base interactions energy: -1032.591
where: short stacking energy: -417.367
Base-Backbone interact. energy: -0.655
local terms energy: -469.246825
where:
bonds (distance) C4'-P energy: -100.391
bonds (distance) P-C4' energy: -84.714
flat angles C4'-P-C4' energy: -104.288
flat angles P-C4'-P energy: -70.627
tors. eta vs tors. theta energy: -109.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1178.747238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.747238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.747238 (E_RNA)
where:
Base-Base interactions energy: -746.171
where: short stacking energy: -334.144
Base-Backbone interact. energy: -2.911
local terms energy: -429.665371
where:
bonds (distance) C4'-P energy: -87.442
bonds (distance) P-C4' energy: -105.080
flat angles C4'-P-C4' energy: -102.796
flat angles P-C4'-P energy: -67.901
tors. eta vs tors. theta energy: -66.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -731.307142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.307142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.307142 (E_RNA)
where:
Base-Base interactions energy: -392.308
where: short stacking energy: -228.398
Base-Backbone interact. energy: 4.259
local terms energy: -343.257524
where:
bonds (distance) C4'-P energy: -93.824
bonds (distance) P-C4' energy: -99.811
flat angles C4'-P-C4' energy: -88.734
flat angles P-C4'-P energy: -52.912
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -524.761616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.761616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.761616 (E_RNA)
where:
Base-Base interactions energy: -229.863
where: short stacking energy: -125.389
Base-Backbone interact. energy: 0.717
local terms energy: -295.615701
where:
bonds (distance) C4'-P energy: -77.960
bonds (distance) P-C4' energy: -87.026
flat angles C4'-P-C4' energy: -81.620
flat angles P-C4'-P energy: -49.921
tors. eta vs tors. theta energy: 0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2082.821326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.821326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.821326 (E_RNA)
where:
Base-Base interactions energy: -1442.598
where: short stacking energy: -597.437
Base-Backbone interact. energy: -2.972
local terms energy: -637.252026
where:
bonds (distance) C4'-P energy: -113.758
bonds (distance) P-C4' energy: -112.935
flat angles C4'-P-C4' energy: -138.010
flat angles P-C4'-P energy: -95.261
tors. eta vs tors. theta energy: -177.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2004.516276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.516276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.516276 (E_RNA)
where:
Base-Base interactions energy: -1386.028
where: short stacking energy: -574.231
Base-Backbone interact. energy: -2.048
local terms energy: -616.440739
where:
bonds (distance) C4'-P energy: -113.320
bonds (distance) P-C4' energy: -115.527
flat angles C4'-P-C4' energy: -128.134
flat angles P-C4'-P energy: -88.486
tors. eta vs tors. theta energy: -170.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1927.552059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.552059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.552059 (E_RNA)
where:
Base-Base interactions energy: -1327.656
where: short stacking energy: -577.431
Base-Backbone interact. energy: 3.841
local terms energy: -603.737912
where:
bonds (distance) C4'-P energy: -115.879
bonds (distance) P-C4' energy: -96.408
flat angles C4'-P-C4' energy: -131.644
flat angles P-C4'-P energy: -87.807
tors. eta vs tors. theta energy: -171.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1832.288011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.288011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.288011 (E_RNA)
where:
Base-Base interactions energy: -1253.872
where: short stacking energy: -513.611
Base-Backbone interact. energy: -1.102
local terms energy: -577.314319
where:
bonds (distance) C4'-P energy: -108.118
bonds (distance) P-C4' energy: -109.693
flat angles C4'-P-C4' energy: -129.647
flat angles P-C4'-P energy: -79.128
tors. eta vs tors. theta energy: -150.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1656.603947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.603947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.603947 (E_RNA)
where:
Base-Base interactions energy: -1097.890
where: short stacking energy: -479.612
Base-Backbone interact. energy: -0.255
local terms energy: -558.459643
where:
bonds (distance) C4'-P energy: -103.203
bonds (distance) P-C4' energy: -110.017
flat angles C4'-P-C4' energy: -121.760
flat angles P-C4'-P energy: -80.956
tors. eta vs tors. theta energy: -142.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1474.090266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.090266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.090266 (E_RNA)
where:
Base-Base interactions energy: -976.356
where: short stacking energy: -415.181
Base-Backbone interact. energy: -1.311
local terms energy: -496.423692
where:
bonds (distance) C4'-P energy: -100.373
bonds (distance) P-C4' energy: -109.979
flat angles C4'-P-C4' energy: -98.348
flat angles P-C4'-P energy: -86.852
tors. eta vs tors. theta energy: -100.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1509.177166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.177166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.177166 (E_RNA)
where:
Base-Base interactions energy: -1047.487
where: short stacking energy: -444.403
Base-Backbone interact. energy: -1.199
local terms energy: -460.491300
where:
bonds (distance) C4'-P energy: -82.019
bonds (distance) P-C4' energy: -89.643
flat angles C4'-P-C4' energy: -118.384
flat angles P-C4'-P energy: -65.117
tors. eta vs tors. theta energy: -105.328
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: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1197.099196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.099196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.099196 (E_RNA)
where:
Base-Base interactions energy: -765.281
where: short stacking energy: -343.875
Base-Backbone interact. energy: 0.697
local terms energy: -432.515310
where:
bonds (distance) C4'-P energy: -98.559
bonds (distance) P-C4' energy: -99.695
flat angles C4'-P-C4' energy: -99.222
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -64.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -725.826991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.826991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.826991 (E_RNA)
where:
Base-Base interactions energy: -391.689
where: short stacking energy: -229.001
Base-Backbone interact. energy: -3.555
local terms energy: -330.582801
where:
bonds (distance) C4'-P energy: -82.307
bonds (distance) P-C4' energy: -92.847
flat angles C4'-P-C4' energy: -85.456
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -546.603241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.603241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.603241 (E_RNA)
where:
Base-Base interactions energy: -253.962
where: short stacking energy: -130.012
Base-Backbone interact. energy: -1.953
local terms energy: -290.687700
where:
bonds (distance) C4'-P energy: -90.410
bonds (distance) P-C4' energy: -100.504
flat angles C4'-P-C4' energy: -79.740
flat angles P-C4'-P energy: -38.440
tors. eta vs tors. theta energy: 18.406
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: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2086.548710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.548710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.548710 (E_RNA)
where:
Base-Base interactions energy: -1443.060
where: short stacking energy: -594.104
Base-Backbone interact. energy: -1.504
local terms energy: -641.984232
where:
bonds (distance) C4'-P energy: -113.049
bonds (distance) P-C4' energy: -126.302
flat angles C4'-P-C4' energy: -142.747
flat angles P-C4'-P energy: -88.369
tors. eta vs tors. theta energy: -171.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1999.116567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.116567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.116567 (E_RNA)
where:
Base-Base interactions energy: -1399.078
where: short stacking energy: -584.690
Base-Backbone interact. energy: 0.846
local terms energy: -600.885167
where:
bonds (distance) C4'-P energy: -101.108
bonds (distance) P-C4' energy: -109.367
flat angles C4'-P-C4' energy: -132.073
flat angles P-C4'-P energy: -84.150
tors. eta vs tors. theta energy: -174.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1938.356383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.356383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.356383 (E_RNA)
where:
Base-Base interactions energy: -1334.877
where: short stacking energy: -591.030
Base-Backbone interact. energy: -1.596
local terms energy: -601.883992
where:
bonds (distance) C4'-P energy: -102.509
bonds (distance) P-C4' energy: -125.555
flat angles C4'-P-C4' energy: -120.303
flat angles P-C4'-P energy: -76.230
tors. eta vs tors. theta energy: -177.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1856.510811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.510811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.510811 (E_RNA)
where:
Base-Base interactions energy: -1275.339
where: short stacking energy: -542.909
Base-Backbone interact. energy: -1.033
local terms energy: -580.139079
where:
bonds (distance) C4'-P energy: -114.025
bonds (distance) P-C4' energy: -108.198
flat angles C4'-P-C4' energy: -122.389
flat angles P-C4'-P energy: -72.172
tors. eta vs tors. theta energy: -163.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1624.455967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.455967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.455967 (E_RNA)
where:
Base-Base interactions energy: -1098.236
where: short stacking energy: -448.667
Base-Backbone interact. energy: -2.772
local terms energy: -523.448345
where:
bonds (distance) C4'-P energy: -116.447
bonds (distance) P-C4' energy: -99.125
flat angles C4'-P-C4' energy: -127.627
flat angles P-C4'-P energy: -53.657
tors. eta vs tors. theta energy: -126.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1507.892431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.892431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.892431 (E_RNA)
where:
Base-Base interactions energy: -1022.980
where: short stacking energy: -425.179
Base-Backbone interact. energy: 0.285
local terms energy: -485.197549
where:
bonds (distance) C4'-P energy: -108.434
bonds (distance) P-C4' energy: -117.900
flat angles C4'-P-C4' energy: -94.630
flat angles P-C4'-P energy: -60.603
tors. eta vs tors. theta energy: -103.630
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: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1386.988992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.988992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.988992 (E_RNA)
where:
Base-Base interactions energy: -902.609
where: short stacking energy: -408.471
Base-Backbone interact. energy: -1.266
local terms energy: -483.114781
where:
bonds (distance) C4'-P energy: -118.132
bonds (distance) P-C4' energy: -109.465
flat angles C4'-P-C4' energy: -98.839
flat angles P-C4'-P energy: -57.396
tors. eta vs tors. theta energy: -99.283
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: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1172.698821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.698821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.698821 (E_RNA)
where:
Base-Base interactions energy: -713.062
where: short stacking energy: -331.881
Base-Backbone interact. energy: -3.186
local terms energy: -456.450797
where:
bonds (distance) C4'-P energy: -105.957
bonds (distance) P-C4' energy: -109.724
flat angles C4'-P-C4' energy: -100.987
flat angles P-C4'-P energy: -56.584
tors. eta vs tors. theta energy: -83.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -767.195667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.195667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.195667 (E_RNA)
where:
Base-Base interactions energy: -402.886
where: short stacking energy: -209.213
Base-Backbone interact. energy: 1.940
local terms energy: -366.249796
where:
bonds (distance) C4'-P energy: -78.574
bonds (distance) P-C4' energy: -104.214
flat angles C4'-P-C4' energy: -96.469
flat angles P-C4'-P energy: -80.533
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -457.182630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.182630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.182630 (E_RNA)
where:
Base-Base interactions energy: -150.453
where: short stacking energy: -138.804
Base-Backbone interact. energy: -2.188
local terms energy: -304.541682
where:
bonds (distance) C4'-P energy: -98.761
bonds (distance) P-C4' energy: -98.360
flat angles C4'-P-C4' energy: -70.670
flat angles P-C4'-P energy: -40.824
tors. eta vs tors. theta energy: 4.074
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: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2069.384060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.384060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.384060 (E_RNA)
where:
Base-Base interactions energy: -1440.575
where: short stacking energy: -582.725
Base-Backbone interact. energy: -1.115
local terms energy: -627.694552
where:
bonds (distance) C4'-P energy: -113.773
bonds (distance) P-C4' energy: -116.553
flat angles C4'-P-C4' energy: -136.173
flat angles P-C4'-P energy: -90.694
tors. eta vs tors. theta energy: -170.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1989.072689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.072689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.072689 (E_RNA)
where:
Base-Base interactions energy: -1379.219
where: short stacking energy: -551.061
Base-Backbone interact. energy: -2.301
local terms energy: -607.552726
where:
bonds (distance) C4'-P energy: -112.769
bonds (distance) P-C4' energy: -118.222
flat angles C4'-P-C4' energy: -141.688
flat angles P-C4'-P energy: -71.774
tors. eta vs tors. theta energy: -163.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1954.672743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.672743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.672743 (E_RNA)
where:
Base-Base interactions energy: -1342.666
where: short stacking energy: -555.047
Base-Backbone interact. energy: 0.774
local terms energy: -612.780541
where:
bonds (distance) C4'-P energy: -109.924
bonds (distance) P-C4' energy: -116.578
flat angles C4'-P-C4' energy: -130.067
flat angles P-C4'-P energy: -86.611
tors. eta vs tors. theta energy: -169.600
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: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1853.069946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.069946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.069946 (E_RNA)
where:
Base-Base interactions energy: -1260.610
where: short stacking energy: -529.662
Base-Backbone interact. energy: -1.901
local terms energy: -590.558831
where:
bonds (distance) C4'-P energy: -117.446
bonds (distance) P-C4' energy: -111.172
flat angles C4'-P-C4' energy: -125.592
flat angles P-C4'-P energy: -88.102
tors. eta vs tors. theta energy: -148.247
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: 364
Temperature: 1.100000
Total energy: -1611.790566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.790566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.790566 (E_RNA)
where:
Base-Base interactions energy: -1099.870
where: short stacking energy: -469.000
Base-Backbone interact. energy: -0.842
local terms energy: -511.078841
where:
bonds (distance) C4'-P energy: -102.453
bonds (distance) P-C4' energy: -90.128
flat angles C4'-P-C4' energy: -117.756
flat angles P-C4'-P energy: -69.899
tors. eta vs tors. theta energy: -130.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1591.244692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.244692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.244692 (E_RNA)
where:
Base-Base interactions energy: -1099.951
where: short stacking energy: -444.730
Base-Backbone interact. energy: -1.657
local terms energy: -489.636180
where:
bonds (distance) C4'-P energy: -95.829
bonds (distance) P-C4' energy: -88.122
flat angles C4'-P-C4' energy: -108.036
flat angles P-C4'-P energy: -76.537
tors. eta vs tors. theta energy: -121.113
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: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1355.312170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.312170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.312170 (E_RNA)
where:
Base-Base interactions energy: -881.603
where: short stacking energy: -387.493
Base-Backbone interact. energy: 1.579
local terms energy: -475.288665
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -90.431
flat angles C4'-P-C4' energy: -113.666
flat angles P-C4'-P energy: -70.868
tors. eta vs tors. theta energy: -95.825
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: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1132.189321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.189321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.189321 (E_RNA)
where:
Base-Base interactions energy: -723.400
where: short stacking energy: -328.437
Base-Backbone interact. energy: -0.075
local terms energy: -408.714086
where:
bonds (distance) C4'-P energy: -81.896
bonds (distance) P-C4' energy: -82.098
flat angles C4'-P-C4' energy: -111.058
flat angles P-C4'-P energy: -75.773
tors. eta vs tors. theta energy: -57.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -827.320915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.320915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.320915 (E_RNA)
where:
Base-Base interactions energy: -471.162
where: short stacking energy: -231.178
Base-Backbone interact. energy: -3.044
local terms energy: -353.114976
where:
bonds (distance) C4'-P energy: -77.475
bonds (distance) P-C4' energy: -99.799
flat angles C4'-P-C4' energy: -99.907
flat angles P-C4'-P energy: -48.452
tors. eta vs tors. theta energy: -27.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -460.244019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.244019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.244019 (E_RNA)
where:
Base-Base interactions energy: -167.134
where: short stacking energy: -112.477
Base-Backbone interact. energy: 5.290
local terms energy: -298.400124
where:
bonds (distance) C4'-P energy: -95.527
bonds (distance) P-C4' energy: -111.279
flat angles C4'-P-C4' energy: -72.061
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: 29.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2069.000589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.000589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.000589 (E_RNA)
where:
Base-Base interactions energy: -1423.227
where: short stacking energy: -591.879
Base-Backbone interact. energy: -1.295
local terms energy: -644.477940
where:
bonds (distance) C4'-P energy: -98.879
bonds (distance) P-C4' energy: -122.127
flat angles C4'-P-C4' energy: -137.210
flat angles P-C4'-P energy: -97.974
tors. eta vs tors. theta energy: -188.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1969.932794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.932794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.932794 (E_RNA)
where:
Base-Base interactions energy: -1352.565
where: short stacking energy: -551.951
Base-Backbone interact. energy: -0.254
local terms energy: -617.113758
where:
bonds (distance) C4'-P energy: -103.515
bonds (distance) P-C4' energy: -119.058
flat angles C4'-P-C4' energy: -134.021
flat angles P-C4'-P energy: -89.978
tors. eta vs tors. theta energy: -170.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1936.044853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.044853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.044853 (E_RNA)
where:
Base-Base interactions energy: -1362.924
where: short stacking energy: -548.516
Base-Backbone interact. energy: 2.528
local terms energy: -575.648842
where:
bonds (distance) C4'-P energy: -98.651
bonds (distance) P-C4' energy: -103.965
flat angles C4'-P-C4' energy: -133.696
flat angles P-C4'-P energy: -77.564
tors. eta vs tors. theta energy: -161.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1830.998907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.998907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.998907 (E_RNA)
where:
Base-Base interactions energy: -1258.431
where: short stacking energy: -544.864
Base-Backbone interact. energy: -0.823
local terms energy: -571.744735
where:
bonds (distance) C4'-P energy: -119.365
bonds (distance) P-C4' energy: -117.716
flat angles C4'-P-C4' energy: -119.923
flat angles P-C4'-P energy: -62.879
tors. eta vs tors. theta energy: -151.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1650.686219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.686219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.686219 (E_RNA)
where:
Base-Base interactions energy: -1107.076
where: short stacking energy: -466.251
Base-Backbone interact. energy: -0.271
local terms energy: -543.338529
where:
bonds (distance) C4'-P energy: -107.146
bonds (distance) P-C4' energy: -98.811
flat angles C4'-P-C4' energy: -128.200
flat angles P-C4'-P energy: -77.118
tors. eta vs tors. theta energy: -132.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1578.158634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.158634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.158634 (E_RNA)
where:
Base-Base interactions energy: -1076.386
where: short stacking energy: -437.015
Base-Backbone interact. energy: 0.228
local terms energy: -502.000282
where:
bonds (distance) C4'-P energy: -95.708
bonds (distance) P-C4' energy: -119.647
flat angles C4'-P-C4' energy: -123.931
flat angles P-C4'-P energy: -63.971
tors. eta vs tors. theta energy: -98.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1349.917588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.917588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.917588 (E_RNA)
where:
Base-Base interactions energy: -876.915
where: short stacking energy: -385.881
Base-Backbone interact. energy: -2.907
local terms energy: -470.096278
where:
bonds (distance) C4'-P energy: -105.518
bonds (distance) P-C4' energy: -109.194
flat angles C4'-P-C4' energy: -99.558
flat angles P-C4'-P energy: -62.489
tors. eta vs tors. theta energy: -93.338
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: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1146.593199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.593199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.593199 (E_RNA)
where:
Base-Base interactions energy: -706.434
where: short stacking energy: -333.738
Base-Backbone interact. energy: -4.875
local terms energy: -435.283691
where:
bonds (distance) C4'-P energy: -88.449
bonds (distance) P-C4' energy: -104.429
flat angles C4'-P-C4' energy: -105.401
flat angles P-C4'-P energy: -66.795
tors. eta vs tors. theta energy: -70.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -739.432012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.432012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.432012 (E_RNA)
where:
Base-Base interactions energy: -408.204
where: short stacking energy: -207.776
Base-Backbone interact. energy: -1.562
local terms energy: -329.666331
where:
bonds (distance) C4'-P energy: -103.281
bonds (distance) P-C4' energy: -88.489
flat angles C4'-P-C4' energy: -92.004
flat angles P-C4'-P energy: -36.853
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -449.182967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.182967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.182967 (E_RNA)
where:
Base-Base interactions energy: -165.664
where: short stacking energy: -113.218
Base-Backbone interact. energy: -2.475
local terms energy: -281.043470
where:
bonds (distance) C4'-P energy: -77.683
bonds (distance) P-C4' energy: -100.229
flat angles C4'-P-C4' energy: -86.975
flat angles P-C4'-P energy: -48.352
tors. eta vs tors. theta energy: 32.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2074.220512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.220512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.220512 (E_RNA)
where:
Base-Base interactions energy: -1456.092
where: short stacking energy: -596.452
Base-Backbone interact. energy: 2.534
local terms energy: -620.662142
where:
bonds (distance) C4'-P energy: -101.618
bonds (distance) P-C4' energy: -123.415
flat angles C4'-P-C4' energy: -136.862
flat angles P-C4'-P energy: -82.523
tors. eta vs tors. theta energy: -176.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1988.321748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.321748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.321748 (E_RNA)
where:
Base-Base interactions energy: -1355.991
where: short stacking energy: -594.848
Base-Backbone interact. energy: 0.253
local terms energy: -632.583155
where:
bonds (distance) C4'-P energy: -121.393
bonds (distance) P-C4' energy: -122.781
flat angles C4'-P-C4' energy: -139.555
flat angles P-C4'-P energy: -77.714
tors. eta vs tors. theta energy: -171.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1958.829011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.829011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.829011 (E_RNA)
where:
Base-Base interactions energy: -1343.601
where: short stacking energy: -566.733
Base-Backbone interact. energy: -0.568
local terms energy: -614.660050
where:
bonds (distance) C4'-P energy: -113.712
bonds (distance) P-C4' energy: -116.037
flat angles C4'-P-C4' energy: -128.352
flat angles P-C4'-P energy: -97.898
tors. eta vs tors. theta energy: -158.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1798.896509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.896509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.896509 (E_RNA)
where:
Base-Base interactions energy: -1230.835
where: short stacking energy: -517.137
Base-Backbone interact. energy: -0.689
local terms energy: -567.372237
where:
bonds (distance) C4'-P energy: -89.286
bonds (distance) P-C4' energy: -120.037
flat angles C4'-P-C4' energy: -123.745
flat angles P-C4'-P energy: -82.657
tors. eta vs tors. theta energy: -151.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1657.956146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.956146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.956146 (E_RNA)
where:
Base-Base interactions energy: -1122.547
where: short stacking energy: -501.509
Base-Backbone interact. energy: -1.574
local terms energy: -533.835203
where:
bonds (distance) C4'-P energy: -92.495
bonds (distance) P-C4' energy: -112.247
flat angles C4'-P-C4' energy: -118.627
flat angles P-C4'-P energy: -74.903
tors. eta vs tors. theta energy: -135.564
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: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1570.809837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.809837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.809837 (E_RNA)
where:
Base-Base interactions energy: -1079.295
where: short stacking energy: -433.028
Base-Backbone interact. energy: -1.237
local terms energy: -490.277573
where:
bonds (distance) C4'-P energy: -102.052
bonds (distance) P-C4' energy: -97.370
flat angles C4'-P-C4' energy: -118.332
flat angles P-C4'-P energy: -65.440
tors. eta vs tors. theta energy: -107.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1323.520639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.520639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.520639 (E_RNA)
where:
Base-Base interactions energy: -883.370
where: short stacking energy: -400.751
Base-Backbone interact. energy: 1.756
local terms energy: -441.905725
where:
bonds (distance) C4'-P energy: -95.694
bonds (distance) P-C4' energy: -108.135
flat angles C4'-P-C4' energy: -106.169
flat angles P-C4'-P energy: -57.166
tors. eta vs tors. theta energy: -74.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1127.858911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.858911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.858911 (E_RNA)
where:
Base-Base interactions energy: -709.507
where: short stacking energy: -325.878
Base-Backbone interact. energy: -2.580
local terms energy: -415.772544
where:
bonds (distance) C4'-P energy: -83.510
bonds (distance) P-C4' energy: -95.541
flat angles C4'-P-C4' energy: -107.985
flat angles P-C4'-P energy: -61.601
tors. eta vs tors. theta energy: -67.136
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: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -748.077391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.077391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.077391 (E_RNA)
where:
Base-Base interactions energy: -393.751
where: short stacking energy: -193.848
Base-Backbone interact. energy: -3.188
local terms energy: -351.138767
where:
bonds (distance) C4'-P energy: -97.082
bonds (distance) P-C4' energy: -98.650
flat angles C4'-P-C4' energy: -97.106
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -444.795964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.795964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.795964 (E_RNA)
where:
Base-Base interactions energy: -149.221
where: short stacking energy: -106.968
Base-Backbone interact. energy: -0.464
local terms energy: -295.111129
where:
bonds (distance) C4'-P energy: -83.798
bonds (distance) P-C4' energy: -86.464
flat angles C4'-P-C4' energy: -84.243
flat angles P-C4'-P energy: -56.837
tors. eta vs tors. theta energy: 16.231
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: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2089.072443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.072443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.072443 (E_RNA)
where:
Base-Base interactions energy: -1422.088
where: short stacking energy: -572.470
Base-Backbone interact. energy: -5.090
local terms energy: -661.893978
where:
bonds (distance) C4'-P energy: -117.318
bonds (distance) P-C4' energy: -124.511
flat angles C4'-P-C4' energy: -133.986
flat angles P-C4'-P energy: -107.604
tors. eta vs tors. theta energy: -178.475
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: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1997.099405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.099405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.099405 (E_RNA)
where:
Base-Base interactions energy: -1364.709
where: short stacking energy: -576.483
Base-Backbone interact. energy: -3.173
local terms energy: -629.217064
where:
bonds (distance) C4'-P energy: -114.898
bonds (distance) P-C4' energy: -117.396
flat angles C4'-P-C4' energy: -135.583
flat angles P-C4'-P energy: -86.561
tors. eta vs tors. theta energy: -174.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1943.397246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.397246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.397246 (E_RNA)
where:
Base-Base interactions energy: -1335.150
where: short stacking energy: -555.558
Base-Backbone interact. energy: -0.935
local terms energy: -607.312683
where:
bonds (distance) C4'-P energy: -117.015
bonds (distance) P-C4' energy: -117.745
flat angles C4'-P-C4' energy: -123.068
flat angles P-C4'-P energy: -88.251
tors. eta vs tors. theta energy: -161.234
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: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1822.740792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.740792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.740792 (E_RNA)
where:
Base-Base interactions energy: -1226.319
where: short stacking energy: -506.899
Base-Backbone interact. energy: 0.033
local terms energy: -596.454264
where:
bonds (distance) C4'-P energy: -113.821
bonds (distance) P-C4' energy: -116.601
flat angles C4'-P-C4' energy: -126.222
flat angles P-C4'-P energy: -81.444
tors. eta vs tors. theta energy: -158.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1710.141780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.141780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.141780 (E_RNA)
where:
Base-Base interactions energy: -1173.215
where: short stacking energy: -512.988
Base-Backbone interact. energy: 0.653
local terms energy: -537.580195
where:
bonds (distance) C4'-P energy: -103.753
bonds (distance) P-C4' energy: -99.956
flat angles C4'-P-C4' energy: -120.186
flat angles P-C4'-P energy: -70.948
tors. eta vs tors. theta energy: -142.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1523.806094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.806094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.806094 (E_RNA)
where:
Base-Base interactions energy: -1036.598
where: short stacking energy: -415.648
Base-Backbone interact. energy: -0.365
local terms energy: -486.843541
where:
bonds (distance) C4'-P energy: -95.744
bonds (distance) P-C4' energy: -113.329
flat angles C4'-P-C4' energy: -104.450
flat angles P-C4'-P energy: -70.060
tors. eta vs tors. theta energy: -103.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1329.487366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.487366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.487366 (E_RNA)
where:
Base-Base interactions energy: -865.109
where: short stacking energy: -376.215
Base-Backbone interact. energy: 0.968
local terms energy: -465.346665
where:
bonds (distance) C4'-P energy: -86.179
bonds (distance) P-C4' energy: -113.320
flat angles C4'-P-C4' energy: -100.987
flat angles P-C4'-P energy: -74.208
tors. eta vs tors. theta energy: -90.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1105.790174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.790174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.790174 (E_RNA)
where:
Base-Base interactions energy: -686.861
where: short stacking energy: -325.305
Base-Backbone interact. energy: 0.693
local terms energy: -419.622308
where:
bonds (distance) C4'-P energy: -87.366
bonds (distance) P-C4' energy: -105.646
flat angles C4'-P-C4' energy: -99.428
flat angles P-C4'-P energy: -60.470
tors. eta vs tors. theta energy: -66.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -743.358443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.358443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.358443 (E_RNA)
where:
Base-Base interactions energy: -394.719
where: short stacking energy: -220.835
Base-Backbone interact. energy: 4.809
local terms energy: -353.447867
where:
bonds (distance) C4'-P energy: -98.455
bonds (distance) P-C4' energy: -109.331
flat angles C4'-P-C4' energy: -86.568
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -524.216803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.216803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.216803 (E_RNA)
where:
Base-Base interactions energy: -219.623
where: short stacking energy: -153.018
Base-Backbone interact. energy: 3.762
local terms energy: -308.355657
where:
bonds (distance) C4'-P energy: -84.967
bonds (distance) P-C4' energy: -88.811
flat angles C4'-P-C4' energy: -77.047
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2085.577942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.577942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.577942 (E_RNA)
where:
Base-Base interactions energy: -1463.528
where: short stacking energy: -602.692
Base-Backbone interact. energy: -3.927
local terms energy: -618.123070
where:
bonds (distance) C4'-P energy: -105.296
bonds (distance) P-C4' energy: -110.302
flat angles C4'-P-C4' energy: -141.464
flat angles P-C4'-P energy: -88.798
tors. eta vs tors. theta energy: -172.263
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: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2012.345089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.345089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.345089 (E_RNA)
where:
Base-Base interactions energy: -1409.652
where: short stacking energy: -582.303
Base-Backbone interact. energy: -0.594
local terms energy: -602.099068
where:
bonds (distance) C4'-P energy: -105.716
bonds (distance) P-C4' energy: -120.612
flat angles C4'-P-C4' energy: -120.531
flat angles P-C4'-P energy: -83.019
tors. eta vs tors. theta energy: -172.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1957.206941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.206941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.206941 (E_RNA)
where:
Base-Base interactions energy: -1336.271
where: short stacking energy: -559.967
Base-Backbone interact. energy: 0.301
local terms energy: -621.236725
where:
bonds (distance) C4'-P energy: -119.505
bonds (distance) P-C4' energy: -117.362
flat angles C4'-P-C4' energy: -137.304
flat angles P-C4'-P energy: -73.731
tors. eta vs tors. theta energy: -173.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1836.808008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.808008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.808008 (E_RNA)
where:
Base-Base interactions energy: -1282.638
where: short stacking energy: -524.731
Base-Backbone interact. energy: 1.554
local terms energy: -555.723973
where:
bonds (distance) C4'-P energy: -104.162
bonds (distance) P-C4' energy: -101.603
flat angles C4'-P-C4' energy: -127.525
flat angles P-C4'-P energy: -75.740
tors. eta vs tors. theta energy: -146.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1627.016994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.016994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.016994 (E_RNA)
where:
Base-Base interactions energy: -1072.848
where: short stacking energy: -467.802
Base-Backbone interact. energy: -3.300
local terms energy: -550.869289
where:
bonds (distance) C4'-P energy: -102.597
bonds (distance) P-C4' energy: -109.034
flat angles C4'-P-C4' energy: -126.689
flat angles P-C4'-P energy: -85.308
tors. eta vs tors. theta energy: -127.241
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: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1572.225135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.225135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.225135 (E_RNA)
where:
Base-Base interactions energy: -1051.839
where: short stacking energy: -467.897
Base-Backbone interact. energy: 2.276
local terms energy: -522.661849
where:
bonds (distance) C4'-P energy: -102.460
bonds (distance) P-C4' energy: -102.441
flat angles C4'-P-C4' energy: -115.177
flat angles P-C4'-P energy: -83.461
tors. eta vs tors. theta energy: -119.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1349.343143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.343143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.343143 (E_RNA)
where:
Base-Base interactions energy: -886.770
where: short stacking energy: -404.893
Base-Backbone interact. energy: -2.627
local terms energy: -459.946734
where:
bonds (distance) C4'-P energy: -98.873
bonds (distance) P-C4' energy: -101.368
flat angles C4'-P-C4' energy: -97.467
flat angles P-C4'-P energy: -69.416
tors. eta vs tors. theta energy: -92.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1039.467009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.467009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.467009 (E_RNA)
where:
Base-Base interactions energy: -673.324
where: short stacking energy: -296.009
Base-Backbone interact. energy: 6.035
local terms energy: -372.178230
where:
bonds (distance) C4'-P energy: -94.970
bonds (distance) P-C4' energy: -100.798
flat angles C4'-P-C4' energy: -90.121
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -44.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -730.298934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.298934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.298934 (E_RNA)
where:
Base-Base interactions energy: -404.177
where: short stacking energy: -195.489
Base-Backbone interact. energy: -0.463
local terms energy: -325.659254
where:
bonds (distance) C4'-P energy: -78.060
bonds (distance) P-C4' energy: -85.971
flat angles C4'-P-C4' energy: -80.348
flat angles P-C4'-P energy: -63.282
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -478.905322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.905322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.905322 (E_RNA)
where:
Base-Base interactions energy: -160.674
where: short stacking energy: -110.262
Base-Backbone interact. energy: 2.447
local terms energy: -320.677848
where:
bonds (distance) C4'-P energy: -94.215
bonds (distance) P-C4' energy: -107.693
flat angles C4'-P-C4' energy: -92.993
flat angles P-C4'-P energy: -51.545
tors. eta vs tors. theta energy: 25.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2054.960067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.960067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.960067 (E_RNA)
where:
Base-Base interactions energy: -1413.032
where: short stacking energy: -595.416
Base-Backbone interact. energy: -0.001
local terms energy: -641.926890
where:
bonds (distance) C4'-P energy: -120.944
bonds (distance) P-C4' energy: -122.579
flat angles C4'-P-C4' energy: -137.158
flat angles P-C4'-P energy: -90.165
tors. eta vs tors. theta energy: -171.081
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: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1998.327644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.327644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.327644 (E_RNA)
where:
Base-Base interactions energy: -1350.014
where: short stacking energy: -578.818
Base-Backbone interact. energy: -0.792
local terms energy: -647.521703
where:
bonds (distance) C4'-P energy: -114.580
bonds (distance) P-C4' energy: -124.586
flat angles C4'-P-C4' energy: -143.344
flat angles P-C4'-P energy: -84.930
tors. eta vs tors. theta energy: -180.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1914.969854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.969854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.969854 (E_RNA)
where:
Base-Base interactions energy: -1299.605
where: short stacking energy: -553.121
Base-Backbone interact. energy: 2.111
local terms energy: -617.475850
where:
bonds (distance) C4'-P energy: -112.725
bonds (distance) P-C4' energy: -115.695
flat angles C4'-P-C4' energy: -127.813
flat angles P-C4'-P energy: -91.884
tors. eta vs tors. theta energy: -169.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1853.589146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.589146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.589146 (E_RNA)
where:
Base-Base interactions energy: -1295.314
where: short stacking energy: -519.695
Base-Backbone interact. energy: 1.784
local terms energy: -560.059531
where:
bonds (distance) C4'-P energy: -111.155
bonds (distance) P-C4' energy: -101.841
flat angles C4'-P-C4' energy: -123.861
flat angles P-C4'-P energy: -73.853
tors. eta vs tors. theta energy: -149.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1632.767878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.767878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.767878 (E_RNA)
where:
Base-Base interactions energy: -1094.337
where: short stacking energy: -495.313
Base-Backbone interact. energy: -1.235
local terms energy: -537.195899
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -109.207
flat angles C4'-P-C4' energy: -118.404
flat angles P-C4'-P energy: -70.427
tors. eta vs tors. theta energy: -143.703
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: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1615.740923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.740923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.740923 (E_RNA)
where:
Base-Base interactions energy: -1085.243
where: short stacking energy: -459.906
Base-Backbone interact. energy: -2.496
local terms energy: -528.001333
where:
bonds (distance) C4'-P energy: -102.570
bonds (distance) P-C4' energy: -101.765
flat angles C4'-P-C4' energy: -102.648
flat angles P-C4'-P energy: -89.240
tors. eta vs tors. theta energy: -131.778
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: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1313.283833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.283833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.283833 (E_RNA)
where:
Base-Base interactions energy: -883.252
where: short stacking energy: -354.973
Base-Backbone interact. energy: -3.595
local terms energy: -426.436812
where:
bonds (distance) C4'-P energy: -99.106
bonds (distance) P-C4' energy: -89.186
flat angles C4'-P-C4' energy: -105.368
flat angles P-C4'-P energy: -58.156
tors. eta vs tors. theta energy: -74.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1059.085226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.085226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.085226 (E_RNA)
where:
Base-Base interactions energy: -647.447
where: short stacking energy: -305.415
Base-Backbone interact. energy: 5.171
local terms energy: -416.808972
where:
bonds (distance) C4'-P energy: -107.977
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -106.326
flat angles P-C4'-P energy: -59.511
tors. eta vs tors. theta energy: -54.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -723.740076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.740076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.740076 (E_RNA)
where:
Base-Base interactions energy: -390.810
where: short stacking energy: -200.977
Base-Backbone interact. energy: -1.142
local terms energy: -331.787440
where:
bonds (distance) C4'-P energy: -82.130
bonds (distance) P-C4' energy: -97.660
flat angles C4'-P-C4' energy: -81.110
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -447.158968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.158968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.158968 (E_RNA)
where:
Base-Base interactions energy: -156.479
where: short stacking energy: -127.863
Base-Backbone interact. energy: 4.925
local terms energy: -295.605027
where:
bonds (distance) C4'-P energy: -90.726
bonds (distance) P-C4' energy: -86.838
flat angles C4'-P-C4' energy: -77.403
flat angles P-C4'-P energy: -57.104
tors. eta vs tors. theta energy: 16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2091.730907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.730907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.730907 (E_RNA)
where:
Base-Base interactions energy: -1471.375
where: short stacking energy: -591.402
Base-Backbone interact. energy: -2.059
local terms energy: -618.296119
where:
bonds (distance) C4'-P energy: -114.306
bonds (distance) P-C4' energy: -111.089
flat angles C4'-P-C4' energy: -132.725
flat angles P-C4'-P energy: -84.183
tors. eta vs tors. theta energy: -175.993
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: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1990.830437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.830437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.830437 (E_RNA)
where:
Base-Base interactions energy: -1370.394
where: short stacking energy: -562.937
Base-Backbone interact. energy: 3.687
local terms energy: -624.123659
where:
bonds (distance) C4'-P energy: -114.170
bonds (distance) P-C4' energy: -117.599
flat angles C4'-P-C4' energy: -123.124
flat angles P-C4'-P energy: -94.492
tors. eta vs tors. theta energy: -174.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1929.952301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.952301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.952301 (E_RNA)
where:
Base-Base interactions energy: -1387.302
where: short stacking energy: -588.081
Base-Backbone interact. energy: -2.120
local terms energy: -540.530669
where:
bonds (distance) C4'-P energy: -81.357
bonds (distance) P-C4' energy: -100.032
flat angles C4'-P-C4' energy: -116.325
flat angles P-C4'-P energy: -82.112
tors. eta vs tors. theta energy: -160.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1837.642368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.642368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.642368 (E_RNA)
where:
Base-Base interactions energy: -1264.205
where: short stacking energy: -540.042
Base-Backbone interact. energy: -1.961
local terms energy: -571.476278
where:
bonds (distance) C4'-P energy: -120.581
bonds (distance) P-C4' energy: -109.943
flat angles C4'-P-C4' energy: -109.644
flat angles P-C4'-P energy: -68.966
tors. eta vs tors. theta energy: -162.343
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: 370
Temperature: 1.100000
Total energy: -1615.953112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.953112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.953112 (E_RNA)
where:
Base-Base interactions energy: -1095.129
where: short stacking energy: -461.541
Base-Backbone interact. energy: -0.612
local terms energy: -520.211643
where:
bonds (distance) C4'-P energy: -104.183
bonds (distance) P-C4' energy: -100.052
flat angles C4'-P-C4' energy: -115.996
flat angles P-C4'-P energy: -74.913
tors. eta vs tors. theta energy: -125.067
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: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1492.451749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.451749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.451749 (E_RNA)
where:
Base-Base interactions energy: -986.202
where: short stacking energy: -422.052
Base-Backbone interact. energy: 2.087
local terms energy: -508.336154
where:
bonds (distance) C4'-P energy: -108.782
bonds (distance) P-C4' energy: -99.493
flat angles C4'-P-C4' energy: -124.960
flat angles P-C4'-P energy: -76.321
tors. eta vs tors. theta energy: -98.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1367.571249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.571249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.571249 (E_RNA)
where:
Base-Base interactions energy: -895.299
where: short stacking energy: -402.663
Base-Backbone interact. energy: 1.280
local terms energy: -473.552508
where:
bonds (distance) C4'-P energy: -98.756
bonds (distance) P-C4' energy: -92.614
flat angles C4'-P-C4' energy: -103.542
flat angles P-C4'-P energy: -72.556
tors. eta vs tors. theta energy: -106.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1091.210739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.210739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.210739 (E_RNA)
where:
Base-Base interactions energy: -683.666
where: short stacking energy: -302.910
Base-Backbone interact. energy: -0.495
local terms energy: -407.049382
where:
bonds (distance) C4'-P energy: -99.893
bonds (distance) P-C4' energy: -95.541
flat angles C4'-P-C4' energy: -107.470
flat angles P-C4'-P energy: -58.476
tors. eta vs tors. theta energy: -45.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -755.249046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.249046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.249046 (E_RNA)
where:
Base-Base interactions energy: -423.547
where: short stacking energy: -232.846
Base-Backbone interact. energy: -2.380
local terms energy: -329.322305
where:
bonds (distance) C4'-P energy: -94.643
bonds (distance) P-C4' energy: -113.317
flat angles C4'-P-C4' energy: -77.855
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -481.973100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.973100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.973100 (E_RNA)
where:
Base-Base interactions energy: -168.781
where: short stacking energy: -125.232
Base-Backbone interact. energy: 1.473
local terms energy: -314.664702
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -99.624
flat angles C4'-P-C4' energy: -100.695
flat angles P-C4'-P energy: -69.144
tors. eta vs tors. theta energy: 36.329
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: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2078.053910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.053910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.053910 (E_RNA)
where:
Base-Base interactions energy: -1453.748
where: short stacking energy: -602.376
Base-Backbone interact. energy: 0.404
local terms energy: -624.709937
where:
bonds (distance) C4'-P energy: -108.913
bonds (distance) P-C4' energy: -112.326
flat angles C4'-P-C4' energy: -137.750
flat angles P-C4'-P energy: -87.005
tors. eta vs tors. theta energy: -178.716
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: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2004.520090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.520090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.520090 (E_RNA)
where:
Base-Base interactions energy: -1376.995
where: short stacking energy: -579.915
Base-Backbone interact. energy: -1.955
local terms energy: -625.569688
where:
bonds (distance) C4'-P energy: -114.495
bonds (distance) P-C4' energy: -113.812
flat angles C4'-P-C4' energy: -133.008
flat angles P-C4'-P energy: -88.499
tors. eta vs tors. theta energy: -175.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1954.380382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.380382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.380382 (E_RNA)
where:
Base-Base interactions energy: -1328.043
where: short stacking energy: -555.223
Base-Backbone interact. energy: -1.165
local terms energy: -625.172235
where:
bonds (distance) C4'-P energy: -118.657
bonds (distance) P-C4' energy: -113.219
flat angles C4'-P-C4' energy: -120.324
flat angles P-C4'-P energy: -97.275
tors. eta vs tors. theta energy: -175.696
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: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1870.012803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.012803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.012803 (E_RNA)
where:
Base-Base interactions energy: -1308.316
where: short stacking energy: -549.497
Base-Backbone interact. energy: -0.278
local terms energy: -561.418794
where:
bonds (distance) C4'-P energy: -101.020
bonds (distance) P-C4' energy: -111.513
flat angles C4'-P-C4' energy: -116.830
flat angles P-C4'-P energy: -74.926
tors. eta vs tors. theta energy: -157.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1582.366674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.366674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.366674 (E_RNA)
where:
Base-Base interactions energy: -1057.593
where: short stacking energy: -446.631
Base-Backbone interact. energy: -3.909
local terms energy: -520.865021
where:
bonds (distance) C4'-P energy: -90.798
bonds (distance) P-C4' energy: -118.862
flat angles C4'-P-C4' energy: -116.913
flat angles P-C4'-P energy: -79.765
tors. eta vs tors. theta energy: -114.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1505.226898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.226898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.226898 (E_RNA)
where:
Base-Base interactions energy: -1012.612
where: short stacking energy: -431.091
Base-Backbone interact. energy: -0.559
local terms energy: -492.056457
where:
bonds (distance) C4'-P energy: -106.665
bonds (distance) P-C4' energy: -92.033
flat angles C4'-P-C4' energy: -114.292
flat angles P-C4'-P energy: -74.093
tors. eta vs tors. theta energy: -104.973
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: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1341.213129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.213129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.213129 (E_RNA)
where:
Base-Base interactions energy: -863.412
where: short stacking energy: -381.716
Base-Backbone interact. energy: -0.109
local terms energy: -477.692950
where:
bonds (distance) C4'-P energy: -103.189
bonds (distance) P-C4' energy: -100.583
flat angles C4'-P-C4' energy: -118.350
flat angles P-C4'-P energy: -64.302
tors. eta vs tors. theta energy: -91.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1101.786391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.786391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.786391 (E_RNA)
where:
Base-Base interactions energy: -671.730
where: short stacking energy: -329.974
Base-Backbone interact. energy: -0.173
local terms energy: -429.884092
where:
bonds (distance) C4'-P energy: -96.344
bonds (distance) P-C4' energy: -98.804
flat angles C4'-P-C4' energy: -113.759
flat angles P-C4'-P energy: -62.852
tors. eta vs tors. theta energy: -58.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -782.665664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.665664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.665664 (E_RNA)
where:
Base-Base interactions energy: -435.317
where: short stacking energy: -244.362
Base-Backbone interact. energy: 0.589
local terms energy: -347.937248
where:
bonds (distance) C4'-P energy: -86.947
bonds (distance) P-C4' energy: -96.227
flat angles C4'-P-C4' energy: -90.975
flat angles P-C4'-P energy: -59.734
tors. eta vs tors. theta energy: -14.053
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: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -448.277431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.277431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.277431 (E_RNA)
where:
Base-Base interactions energy: -143.868
where: short stacking energy: -127.344
Base-Backbone interact. energy: 6.179
local terms energy: -310.588519
where:
bonds (distance) C4'-P energy: -90.915
bonds (distance) P-C4' energy: -93.659
flat angles C4'-P-C4' energy: -83.099
flat angles P-C4'-P energy: -62.095
tors. eta vs tors. theta energy: 19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2092.065315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.065315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.065315 (E_RNA)
where:
Base-Base interactions energy: -1449.597
where: short stacking energy: -589.565
Base-Backbone interact. energy: -0.287
local terms energy: -642.181246
where:
bonds (distance) C4'-P energy: -118.564
bonds (distance) P-C4' energy: -120.873
flat angles C4'-P-C4' energy: -135.687
flat angles P-C4'-P energy: -91.010
tors. eta vs tors. theta energy: -176.047
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: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2003.880207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.880207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.880207 (E_RNA)
where:
Base-Base interactions energy: -1378.906
where: short stacking energy: -582.376
Base-Backbone interact. energy: -2.703
local terms energy: -622.270627
where:
bonds (distance) C4'-P energy: -117.575
bonds (distance) P-C4' energy: -124.730
flat angles C4'-P-C4' energy: -131.196
flat angles P-C4'-P energy: -75.797
tors. eta vs tors. theta energy: -172.972
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: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1951.072444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.072444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.072444 (E_RNA)
where:
Base-Base interactions energy: -1331.260
where: short stacking energy: -564.180
Base-Backbone interact. energy: -3.740
local terms energy: -616.072485
where:
bonds (distance) C4'-P energy: -121.471
bonds (distance) P-C4' energy: -104.141
flat angles C4'-P-C4' energy: -130.489
flat angles P-C4'-P energy: -92.664
tors. eta vs tors. theta energy: -167.306
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: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1834.288531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.288531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.288531 (E_RNA)
where:
Base-Base interactions energy: -1256.436
where: short stacking energy: -532.045
Base-Backbone interact. energy: 1.925
local terms energy: -579.777276
where:
bonds (distance) C4'-P energy: -112.013
bonds (distance) P-C4' energy: -105.252
flat angles C4'-P-C4' energy: -124.738
flat angles P-C4'-P energy: -78.570
tors. eta vs tors. theta energy: -159.205
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: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1614.531044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.531044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.531044 (E_RNA)
where:
Base-Base interactions energy: -1099.417
where: short stacking energy: -480.209
Base-Backbone interact. energy: 2.034
local terms energy: -517.148244
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -90.583
flat angles C4'-P-C4' energy: -127.770
flat angles P-C4'-P energy: -59.238
tors. eta vs tors. theta energy: -131.966
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: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1513.868925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.868925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.868925 (E_RNA)
where:
Base-Base interactions energy: -1010.191
where: short stacking energy: -446.102
Base-Backbone interact. energy: -3.079
local terms energy: -500.599200
where:
bonds (distance) C4'-P energy: -88.422
bonds (distance) P-C4' energy: -104.483
flat angles C4'-P-C4' energy: -110.759
flat angles P-C4'-P energy: -78.798
tors. eta vs tors. theta energy: -118.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1301.482272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.482272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.482272 (E_RNA)
where:
Base-Base interactions energy: -831.009
where: short stacking energy: -375.570
Base-Backbone interact. energy: 1.280
local terms energy: -471.753931
where:
bonds (distance) C4'-P energy: -86.169
bonds (distance) P-C4' energy: -115.217
flat angles C4'-P-C4' energy: -110.914
flat angles P-C4'-P energy: -79.813
tors. eta vs tors. theta energy: -79.642
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: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1078.161444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.161444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.161444 (E_RNA)
where:
Base-Base interactions energy: -679.107
where: short stacking energy: -300.820
Base-Backbone interact. energy: -2.230
local terms energy: -396.824508
where:
bonds (distance) C4'-P energy: -95.737
bonds (distance) P-C4' energy: -104.929
flat angles C4'-P-C4' energy: -86.523
flat angles P-C4'-P energy: -54.237
tors. eta vs tors. theta energy: -55.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -779.136252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.136252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.136252 (E_RNA)
where:
Base-Base interactions energy: -387.321
where: short stacking energy: -211.354
Base-Backbone interact. energy: -1.918
local terms energy: -389.897571
where:
bonds (distance) C4'-P energy: -107.345
bonds (distance) P-C4' energy: -110.060
flat angles C4'-P-C4' energy: -102.455
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -430.279187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.279187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.279187 (E_RNA)
where:
Base-Base interactions energy: -146.433
where: short stacking energy: -112.085
Base-Backbone interact. energy: 1.089
local terms energy: -284.935411
where:
bonds (distance) C4'-P energy: -93.140
bonds (distance) P-C4' energy: -84.575
flat angles C4'-P-C4' energy: -73.170
flat angles P-C4'-P energy: -52.824
tors. eta vs tors. theta energy: 18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2096.502873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.502873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.502873 (E_RNA)
where:
Base-Base interactions energy: -1461.937
where: short stacking energy: -590.892
Base-Backbone interact. energy: -1.621
local terms energy: -632.944043
where:
bonds (distance) C4'-P energy: -121.040
bonds (distance) P-C4' energy: -111.579
flat angles C4'-P-C4' energy: -135.707
flat angles P-C4'-P energy: -92.860
tors. eta vs tors. theta energy: -171.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2035.005449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.005449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.005449 (E_RNA)
where:
Base-Base interactions energy: -1418.990
where: short stacking energy: -598.591
Base-Backbone interact. energy: -2.582
local terms energy: -613.433409
where:
bonds (distance) C4'-P energy: -107.840
bonds (distance) P-C4' energy: -123.827
flat angles C4'-P-C4' energy: -118.755
flat angles P-C4'-P energy: -83.318
tors. eta vs tors. theta energy: -179.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1922.920834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.920834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.920834 (E_RNA)
where:
Base-Base interactions energy: -1319.438
where: short stacking energy: -573.718
Base-Backbone interact. energy: 1.143
local terms energy: -604.625585
where:
bonds (distance) C4'-P energy: -119.749
bonds (distance) P-C4' energy: -106.621
flat angles C4'-P-C4' energy: -131.491
flat angles P-C4'-P energy: -79.868
tors. eta vs tors. theta energy: -166.897
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: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1845.779985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.779985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.779985 (E_RNA)
where:
Base-Base interactions energy: -1273.135
where: short stacking energy: -544.186
Base-Backbone interact. energy: -4.539
local terms energy: -568.105862
where:
bonds (distance) C4'-P energy: -112.986
bonds (distance) P-C4' energy: -106.545
flat angles C4'-P-C4' energy: -116.401
flat angles P-C4'-P energy: -81.316
tors. eta vs tors. theta energy: -150.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1609.910342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.910342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.910342 (E_RNA)
where:
Base-Base interactions energy: -1085.971
where: short stacking energy: -499.590
Base-Backbone interact. energy: 0.012
local terms energy: -523.951863
where:
bonds (distance) C4'-P energy: -106.568
bonds (distance) P-C4' energy: -101.582
flat angles C4'-P-C4' energy: -122.568
flat angles P-C4'-P energy: -80.252
tors. eta vs tors. theta energy: -112.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1516.078979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.078979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.078979 (E_RNA)
where:
Base-Base interactions energy: -1015.665
where: short stacking energy: -438.051
Base-Backbone interact. energy: -3.096
local terms energy: -497.317678
where:
bonds (distance) C4'-P energy: -113.547
bonds (distance) P-C4' energy: -99.491
flat angles C4'-P-C4' energy: -115.134
flat angles P-C4'-P energy: -74.719
tors. eta vs tors. theta energy: -94.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1337.067877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.067877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.067877 (E_RNA)
where:
Base-Base interactions energy: -852.860
where: short stacking energy: -389.875
Base-Backbone interact. energy: 0.331
local terms energy: -484.538819
where:
bonds (distance) C4'-P energy: -119.411
bonds (distance) P-C4' energy: -94.231
flat angles C4'-P-C4' energy: -115.107
flat angles P-C4'-P energy: -63.539
tors. eta vs tors. theta energy: -92.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1083.166888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.166888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.166888 (E_RNA)
where:
Base-Base interactions energy: -673.364
where: short stacking energy: -300.475
Base-Backbone interact. energy: -1.360
local terms energy: -408.442594
where:
bonds (distance) C4'-P energy: -95.890
bonds (distance) P-C4' energy: -102.725
flat angles C4'-P-C4' energy: -102.583
flat angles P-C4'-P energy: -60.777
tors. eta vs tors. theta energy: -46.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -727.519272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.519272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.519272 (E_RNA)
where:
Base-Base interactions energy: -390.308
where: short stacking energy: -209.147
Base-Backbone interact. energy: 7.632
local terms energy: -344.843367
where:
bonds (distance) C4'-P energy: -95.649
bonds (distance) P-C4' energy: -86.345
flat angles C4'-P-C4' energy: -82.830
flat angles P-C4'-P energy: -54.219
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -447.753706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.753706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.753706 (E_RNA)
where:
Base-Base interactions energy: -141.165
where: short stacking energy: -135.987
Base-Backbone interact. energy: -0.101
local terms energy: -306.487850
where:
bonds (distance) C4'-P energy: -92.476
bonds (distance) P-C4' energy: -85.593
flat angles C4'-P-C4' energy: -84.126
flat angles P-C4'-P energy: -54.065
tors. eta vs tors. theta energy: 9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2082.228598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.228598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.228598 (E_RNA)
where:
Base-Base interactions energy: -1465.355
where: short stacking energy: -598.700
Base-Backbone interact. energy: -2.802
local terms energy: -614.070873
where:
bonds (distance) C4'-P energy: -104.445
bonds (distance) P-C4' energy: -110.168
flat angles C4'-P-C4' energy: -144.920
flat angles P-C4'-P energy: -88.624
tors. eta vs tors. theta energy: -165.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2008.163328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.163328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.163328 (E_RNA)
where:
Base-Base interactions energy: -1395.352
where: short stacking energy: -593.262
Base-Backbone interact. energy: -2.191
local terms energy: -610.619940
where:
bonds (distance) C4'-P energy: -99.815
bonds (distance) P-C4' energy: -114.769
flat angles C4'-P-C4' energy: -132.479
flat angles P-C4'-P energy: -89.641
tors. eta vs tors. theta energy: -173.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1955.166990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.166990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.166990 (E_RNA)
where:
Base-Base interactions energy: -1352.440
where: short stacking energy: -588.960
Base-Backbone interact. energy: 0.356
local terms energy: -603.082702
where:
bonds (distance) C4'-P energy: -102.349
bonds (distance) P-C4' energy: -108.388
flat angles C4'-P-C4' energy: -131.968
flat angles P-C4'-P energy: -78.524
tors. eta vs tors. theta energy: -181.853
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: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1842.690449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.690449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.690449 (E_RNA)
where:
Base-Base interactions energy: -1305.936
where: short stacking energy: -511.449
Base-Backbone interact. energy: -0.839
local terms energy: -535.915633
where:
bonds (distance) C4'-P energy: -91.874
bonds (distance) P-C4' energy: -109.226
flat angles C4'-P-C4' energy: -122.429
flat angles P-C4'-P energy: -68.872
tors. eta vs tors. theta energy: -143.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1603.059991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.059991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.059991 (E_RNA)
where:
Base-Base interactions energy: -1094.488
where: short stacking energy: -460.136
Base-Backbone interact. energy: 3.707
local terms energy: -512.279257
where:
bonds (distance) C4'-P energy: -81.910
bonds (distance) P-C4' energy: -113.348
flat angles C4'-P-C4' energy: -115.610
flat angles P-C4'-P energy: -86.706
tors. eta vs tors. theta energy: -114.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1561.250110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.250110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.250110 (E_RNA)
where:
Base-Base interactions energy: -1054.309
where: short stacking energy: -437.471
Base-Backbone interact. energy: -1.153
local terms energy: -505.787850
where:
bonds (distance) C4'-P energy: -85.121
bonds (distance) P-C4' energy: -111.969
flat angles C4'-P-C4' energy: -121.088
flat angles P-C4'-P energy: -68.726
tors. eta vs tors. theta energy: -118.883
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: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1267.800545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.800545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.800545 (E_RNA)
where:
Base-Base interactions energy: -817.629
where: short stacking energy: -376.770
Base-Backbone interact. energy: 1.458
local terms energy: -451.629580
where:
bonds (distance) C4'-P energy: -107.787
bonds (distance) P-C4' energy: -90.421
flat angles C4'-P-C4' energy: -102.977
flat angles P-C4'-P energy: -62.670
tors. eta vs tors. theta energy: -87.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1121.358283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.358283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.358283 (E_RNA)
where:
Base-Base interactions energy: -706.520
where: short stacking energy: -298.137
Base-Backbone interact. energy: -1.175
local terms energy: -413.663045
where:
bonds (distance) C4'-P energy: -93.467
bonds (distance) P-C4' energy: -103.263
flat angles C4'-P-C4' energy: -97.026
flat angles P-C4'-P energy: -68.676
tors. eta vs tors. theta energy: -51.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -724.341699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.341699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.341699 (E_RNA)
where:
Base-Base interactions energy: -357.915
where: short stacking energy: -182.161
Base-Backbone interact. energy: -3.087
local terms energy: -363.339115
where:
bonds (distance) C4'-P energy: -112.575
bonds (distance) P-C4' energy: -99.550
flat angles C4'-P-C4' energy: -87.082
flat angles P-C4'-P energy: -53.712
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -442.473451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.473451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.473451 (E_RNA)
where:
Base-Base interactions energy: -155.943
where: short stacking energy: -103.509
Base-Backbone interact. energy: 5.389
local terms energy: -291.919863
where:
bonds (distance) C4'-P energy: -110.538
bonds (distance) P-C4' energy: -98.093
flat angles C4'-P-C4' energy: -63.987
flat angles P-C4'-P energy: -57.372
tors. eta vs tors. theta energy: 38.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2064.108780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.108780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.108780 (E_RNA)
where:
Base-Base interactions energy: -1431.620
where: short stacking energy: -586.551
Base-Backbone interact. energy: -2.928
local terms energy: -629.560866
where:
bonds (distance) C4'-P energy: -117.787
bonds (distance) P-C4' energy: -127.865
flat angles C4'-P-C4' energy: -116.696
flat angles P-C4'-P energy: -94.483
tors. eta vs tors. theta energy: -172.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2019.649738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.649738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.649738 (E_RNA)
where:
Base-Base interactions energy: -1411.990
where: short stacking energy: -604.820
Base-Backbone interact. energy: -1.443
local terms energy: -606.216230
where:
bonds (distance) C4'-P energy: -103.638
bonds (distance) P-C4' energy: -107.181
flat angles C4'-P-C4' energy: -125.633
flat angles P-C4'-P energy: -88.239
tors. eta vs tors. theta energy: -181.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1928.960632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.960632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.960632 (E_RNA)
where:
Base-Base interactions energy: -1309.839
where: short stacking energy: -571.357
Base-Backbone interact. energy: -3.061
local terms energy: -616.060009
where:
bonds (distance) C4'-P energy: -109.695
bonds (distance) P-C4' energy: -122.282
flat angles C4'-P-C4' energy: -132.729
flat angles P-C4'-P energy: -85.215
tors. eta vs tors. theta energy: -166.139
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: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1864.532199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.532199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.532199 (E_RNA)
where:
Base-Base interactions energy: -1308.059
where: short stacking energy: -534.807
Base-Backbone interact. energy: -1.195
local terms energy: -555.278692
where:
bonds (distance) C4'-P energy: -103.659
bonds (distance) P-C4' energy: -97.453
flat angles C4'-P-C4' energy: -129.351
flat angles P-C4'-P energy: -73.615
tors. eta vs tors. theta energy: -151.201
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: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1627.201268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.201268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.201268 (E_RNA)
where:
Base-Base interactions energy: -1110.000
where: short stacking energy: -462.203
Base-Backbone interact. energy: -0.836
local terms energy: -516.366039
where:
bonds (distance) C4'-P energy: -78.819
bonds (distance) P-C4' energy: -113.557
flat angles C4'-P-C4' energy: -121.032
flat angles P-C4'-P energy: -74.988
tors. eta vs tors. theta energy: -127.970
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: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1600.785854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.785854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.785854 (E_RNA)
where:
Base-Base interactions energy: -1094.599
where: short stacking energy: -433.116
Base-Backbone interact. energy: -2.301
local terms energy: -503.885634
where:
bonds (distance) C4'-P energy: -98.623
bonds (distance) P-C4' energy: -100.729
flat angles C4'-P-C4' energy: -109.098
flat angles P-C4'-P energy: -68.175
tors. eta vs tors. theta energy: -127.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1280.513044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.513044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.513044 (E_RNA)
where:
Base-Base interactions energy: -822.508
where: short stacking energy: -363.826
Base-Backbone interact. energy: -1.206
local terms energy: -456.799039
where:
bonds (distance) C4'-P energy: -95.489
bonds (distance) P-C4' energy: -93.402
flat angles C4'-P-C4' energy: -101.731
flat angles P-C4'-P energy: -74.818
tors. eta vs tors. theta energy: -91.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1124.862169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.862169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.862169 (E_RNA)
where:
Base-Base interactions energy: -727.013
where: short stacking energy: -332.862
Base-Backbone interact. energy: -2.095
local terms energy: -395.754379
where:
bonds (distance) C4'-P energy: -98.907
bonds (distance) P-C4' energy: -85.677
flat angles C4'-P-C4' energy: -80.775
flat angles P-C4'-P energy: -60.774
tors. eta vs tors. theta energy: -69.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -760.191395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.191395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.191395 (E_RNA)
where:
Base-Base interactions energy: -406.515
where: short stacking energy: -219.322
Base-Backbone interact. energy: -4.304
local terms energy: -349.372881
where:
bonds (distance) C4'-P energy: -74.136
bonds (distance) P-C4' energy: -95.917
flat angles C4'-P-C4' energy: -92.247
flat angles P-C4'-P energy: -63.492
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -443.631411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.631411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.631411 (E_RNA)
where:
Base-Base interactions energy: -113.121
where: short stacking energy: -106.308
Base-Backbone interact. energy: 5.558
local terms energy: -336.068172
where:
bonds (distance) C4'-P energy: -96.867
bonds (distance) P-C4' energy: -109.894
flat angles C4'-P-C4' energy: -86.227
flat angles P-C4'-P energy: -67.743
tors. eta vs tors. theta energy: 24.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2074.440505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.440505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.440505 (E_RNA)
where:
Base-Base interactions energy: -1450.796
where: short stacking energy: -604.957
Base-Backbone interact. energy: -0.796
local terms energy: -622.848114
where:
bonds (distance) C4'-P energy: -109.389
bonds (distance) P-C4' energy: -109.386
flat angles C4'-P-C4' energy: -136.445
flat angles P-C4'-P energy: -92.114
tors. eta vs tors. theta energy: -175.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1996.323927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.323927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.323927 (E_RNA)
where:
Base-Base interactions energy: -1363.242
where: short stacking energy: -552.413
Base-Backbone interact. energy: -3.405
local terms energy: -629.676993
where:
bonds (distance) C4'-P energy: -118.024
bonds (distance) P-C4' energy: -122.993
flat angles C4'-P-C4' energy: -129.193
flat angles P-C4'-P energy: -89.987
tors. eta vs tors. theta energy: -169.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1910.533222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.533222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.533222 (E_RNA)
where:
Base-Base interactions energy: -1334.709
where: short stacking energy: -541.594
Base-Backbone interact. energy: 0.720
local terms energy: -576.544277
where:
bonds (distance) C4'-P energy: -97.883
bonds (distance) P-C4' energy: -120.783
flat angles C4'-P-C4' energy: -121.452
flat angles P-C4'-P energy: -80.301
tors. eta vs tors. theta energy: -156.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1869.422728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.422728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.422728 (E_RNA)
where:
Base-Base interactions energy: -1273.038
where: short stacking energy: -543.945
Base-Backbone interact. energy: 0.040
local terms energy: -596.423993
where:
bonds (distance) C4'-P energy: -109.630
bonds (distance) P-C4' energy: -120.717
flat angles C4'-P-C4' energy: -128.294
flat angles P-C4'-P energy: -73.680
tors. eta vs tors. theta energy: -164.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1623.875206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.875206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.875206 (E_RNA)
where:
Base-Base interactions energy: -1113.167
where: short stacking energy: -453.549
Base-Backbone interact. energy: 1.120
local terms energy: -511.828087
where:
bonds (distance) C4'-P energy: -93.932
bonds (distance) P-C4' energy: -114.163
flat angles C4'-P-C4' energy: -112.260
flat angles P-C4'-P energy: -68.093
tors. eta vs tors. theta energy: -123.380
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: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1618.373957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.373957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.373957 (E_RNA)
where:
Base-Base interactions energy: -1083.421
where: short stacking energy: -454.260
Base-Backbone interact. energy: -1.444
local terms energy: -533.509661
where:
bonds (distance) C4'-P energy: -88.756
bonds (distance) P-C4' energy: -99.647
flat angles C4'-P-C4' energy: -124.673
flat angles P-C4'-P energy: -81.567
tors. eta vs tors. theta energy: -138.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1271.504445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.504445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.504445 (E_RNA)
where:
Base-Base interactions energy: -814.144
where: short stacking energy: -371.056
Base-Backbone interact. energy: -1.429
local terms energy: -455.932029
where:
bonds (distance) C4'-P energy: -95.338
bonds (distance) P-C4' energy: -100.949
flat angles C4'-P-C4' energy: -100.150
flat angles P-C4'-P energy: -68.102
tors. eta vs tors. theta energy: -91.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1137.001338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.001338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.001338 (E_RNA)
where:
Base-Base interactions energy: -716.343
where: short stacking energy: -339.668
Base-Backbone interact. energy: -1.931
local terms energy: -418.726775
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -92.041
flat angles C4'-P-C4' energy: -95.518
flat angles P-C4'-P energy: -68.664
tors. eta vs tors. theta energy: -64.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -752.707396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.707396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.707396 (E_RNA)
where:
Base-Base interactions energy: -422.791
where: short stacking energy: -202.003
Base-Backbone interact. energy: 2.603
local terms energy: -332.519089
where:
bonds (distance) C4'-P energy: -81.617
bonds (distance) P-C4' energy: -108.707
flat angles C4'-P-C4' energy: -87.628
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -7.778
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: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -447.118181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.118181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.118181 (E_RNA)
where:
Base-Base interactions energy: -161.688
where: short stacking energy: -130.587
Base-Backbone interact. energy: -1.672
local terms energy: -283.758266
where:
bonds (distance) C4'-P energy: -91.763
bonds (distance) P-C4' energy: -95.997
flat angles C4'-P-C4' energy: -64.386
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: 19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2093.631498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.631498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.631498 (E_RNA)
where:
Base-Base interactions energy: -1461.560
where: short stacking energy: -604.813
Base-Backbone interact. energy: -2.570
local terms energy: -629.501309
where:
bonds (distance) C4'-P energy: -112.124
bonds (distance) P-C4' energy: -123.384
flat angles C4'-P-C4' energy: -129.221
flat angles P-C4'-P energy: -88.054
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: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2034.469500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.469500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.469500 (E_RNA)
where:
Base-Base interactions energy: -1402.990
where: short stacking energy: -575.838
Base-Backbone interact. energy: 1.207
local terms energy: -632.686563
where:
bonds (distance) C4'-P energy: -121.308
bonds (distance) P-C4' energy: -117.628
flat angles C4'-P-C4' energy: -129.275
flat angles P-C4'-P energy: -89.446
tors. eta vs tors. theta energy: -175.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1891.742815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.742815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.742815 (E_RNA)
where:
Base-Base interactions energy: -1308.849
where: short stacking energy: -546.692
Base-Backbone interact. energy: -2.231
local terms energy: -580.662389
where:
bonds (distance) C4'-P energy: -112.198
bonds (distance) P-C4' energy: -104.391
flat angles C4'-P-C4' energy: -126.902
flat angles P-C4'-P energy: -85.019
tors. eta vs tors. theta energy: -152.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1827.537038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.537038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.537038 (E_RNA)
where:
Base-Base interactions energy: -1258.219
where: short stacking energy: -546.222
Base-Backbone interact. energy: -2.205
local terms energy: -567.112985
where:
bonds (distance) C4'-P energy: -81.201
bonds (distance) P-C4' energy: -127.800
flat angles C4'-P-C4' energy: -128.446
flat angles P-C4'-P energy: -69.254
tors. eta vs tors. theta energy: -160.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1625.586120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.586120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.586120 (E_RNA)
where:
Base-Base interactions energy: -1089.111
where: short stacking energy: -448.162
Base-Backbone interact. energy: -4.766
local terms energy: -531.709318
where:
bonds (distance) C4'-P energy: -103.183
bonds (distance) P-C4' energy: -114.295
flat angles C4'-P-C4' energy: -118.144
flat angles P-C4'-P energy: -63.701
tors. eta vs tors. theta energy: -132.386
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: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1598.797530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.797530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.797530 (E_RNA)
where:
Base-Base interactions energy: -1061.813
where: short stacking energy: -457.958
Base-Backbone interact. energy: -1.307
local terms energy: -535.677100
where:
bonds (distance) C4'-P energy: -99.345
bonds (distance) P-C4' energy: -117.466
flat angles C4'-P-C4' energy: -113.474
flat angles P-C4'-P energy: -68.803
tors. eta vs tors. theta energy: -136.588
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: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1270.327346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.327346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.327346 (E_RNA)
where:
Base-Base interactions energy: -828.642
where: short stacking energy: -356.250
Base-Backbone interact. energy: -0.825
local terms energy: -440.859508
where:
bonds (distance) C4'-P energy: -95.755
bonds (distance) P-C4' energy: -89.985
flat angles C4'-P-C4' energy: -99.642
flat angles P-C4'-P energy: -78.695
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: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1155.086018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.086018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.086018 (E_RNA)
where:
Base-Base interactions energy: -724.694
where: short stacking energy: -313.236
Base-Backbone interact. energy: -3.209
local terms energy: -427.183591
where:
bonds (distance) C4'-P energy: -95.847
bonds (distance) P-C4' energy: -96.089
flat angles C4'-P-C4' energy: -105.220
flat angles P-C4'-P energy: -67.776
tors. eta vs tors. theta energy: -62.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -860.084451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.084451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.084451 (E_RNA)
where:
Base-Base interactions energy: -545.006
where: short stacking energy: -239.067
Base-Backbone interact. energy: -1.523
local terms energy: -313.555562
where:
bonds (distance) C4'-P energy: -79.150
bonds (distance) P-C4' energy: -91.408
flat angles C4'-P-C4' energy: -70.568
flat angles P-C4'-P energy: -52.913
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -462.759152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.759152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.759152 (E_RNA)
where:
Base-Base interactions energy: -156.533
where: short stacking energy: -128.992
Base-Backbone interact. energy: 0.377
local terms energy: -306.602818
where:
bonds (distance) C4'-P energy: -93.766
bonds (distance) P-C4' energy: -100.375
flat angles C4'-P-C4' energy: -71.804
flat angles P-C4'-P energy: -41.918
tors. eta vs tors. theta energy: 1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2072.217570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.217570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.217570 (E_RNA)
where:
Base-Base interactions energy: -1450.638
where: short stacking energy: -594.847
Base-Backbone interact. energy: -2.530
local terms energy: -619.049559
where:
bonds (distance) C4'-P energy: -105.523
bonds (distance) P-C4' energy: -110.981
flat angles C4'-P-C4' energy: -127.413
flat angles P-C4'-P energy: -94.020
tors. eta vs tors. theta energy: -181.114
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: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2018.910298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.910298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.910298 (E_RNA)
where:
Base-Base interactions energy: -1403.110
where: short stacking energy: -577.554
Base-Backbone interact. energy: -2.173
local terms energy: -613.626884
where:
bonds (distance) C4'-P energy: -118.605
bonds (distance) P-C4' energy: -112.786
flat angles C4'-P-C4' energy: -134.360
flat angles P-C4'-P energy: -81.087
tors. eta vs tors. theta energy: -166.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1845.571033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.571033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.571033 (E_RNA)
where:
Base-Base interactions energy: -1225.835
where: short stacking energy: -547.486
Base-Backbone interact. energy: -2.230
local terms energy: -617.506287
where:
bonds (distance) C4'-P energy: -99.112
bonds (distance) P-C4' energy: -118.428
flat angles C4'-P-C4' energy: -138.761
flat angles P-C4'-P energy: -96.634
tors. eta vs tors. theta energy: -164.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1817.460703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.460703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.460703 (E_RNA)
where:
Base-Base interactions energy: -1265.604
where: short stacking energy: -529.218
Base-Backbone interact. energy: -1.177
local terms energy: -550.679876
where:
bonds (distance) C4'-P energy: -89.827
bonds (distance) P-C4' energy: -114.604
flat angles C4'-P-C4' energy: -105.822
flat angles P-C4'-P energy: -92.074
tors. eta vs tors. theta energy: -148.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1611.546947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.546947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.546947 (E_RNA)
where:
Base-Base interactions energy: -1091.083
where: short stacking energy: -449.993
Base-Backbone interact. energy: 0.356
local terms energy: -520.820337
where:
bonds (distance) C4'-P energy: -110.687
bonds (distance) P-C4' energy: -102.561
flat angles C4'-P-C4' energy: -113.752
flat angles P-C4'-P energy: -73.388
tors. eta vs tors. theta energy: -120.432
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: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1636.087148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.087148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.087148 (E_RNA)
where:
Base-Base interactions energy: -1105.370
where: short stacking energy: -462.005
Base-Backbone interact. energy: -2.008
local terms energy: -528.708990
where:
bonds (distance) C4'-P energy: -93.661
bonds (distance) P-C4' energy: -99.821
flat angles C4'-P-C4' energy: -115.509
flat angles P-C4'-P energy: -81.696
tors. eta vs tors. theta energy: -138.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1356.434454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.434454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.434454 (E_RNA)
where:
Base-Base interactions energy: -883.473
where: short stacking energy: -383.362
Base-Backbone interact. energy: -0.317
local terms energy: -472.644623
where:
bonds (distance) C4'-P energy: -97.465
bonds (distance) P-C4' energy: -84.491
flat angles C4'-P-C4' energy: -116.139
flat angles P-C4'-P energy: -69.589
tors. eta vs tors. theta energy: -104.960
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: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1188.820267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.820267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.820267 (E_RNA)
where:
Base-Base interactions energy: -766.468
where: short stacking energy: -342.467
Base-Backbone interact. energy: -1.682
local terms energy: -420.669982
where:
bonds (distance) C4'-P energy: -92.018
bonds (distance) P-C4' energy: -96.720
flat angles C4'-P-C4' energy: -99.715
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: -68.976
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: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -881.881138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.881138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.881138 (E_RNA)
where:
Base-Base interactions energy: -526.911
where: short stacking energy: -257.687
Base-Backbone interact. energy: -0.902
local terms energy: -354.067511
where:
bonds (distance) C4'-P energy: -82.229
bonds (distance) P-C4' energy: -106.713
flat angles C4'-P-C4' energy: -90.789
flat angles P-C4'-P energy: -44.068
tors. eta vs tors. theta energy: -30.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -456.411003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.411003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.411003 (E_RNA)
where:
Base-Base interactions energy: -165.581
where: short stacking energy: -141.117
Base-Backbone interact. energy: -0.476
local terms energy: -290.354433
where:
bonds (distance) C4'-P energy: -79.264
bonds (distance) P-C4' energy: -100.336
flat angles C4'-P-C4' energy: -74.203
flat angles P-C4'-P energy: -50.922
tors. eta vs tors. theta energy: 14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2101.419207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.419207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.419207 (E_RNA)
where:
Base-Base interactions energy: -1456.688
where: short stacking energy: -610.780
Base-Backbone interact. energy: -3.588
local terms energy: -641.143082
where:
bonds (distance) C4'-P energy: -120.372
bonds (distance) P-C4' energy: -124.298
flat angles C4'-P-C4' energy: -129.159
flat angles P-C4'-P energy: -87.962
tors. eta vs tors. theta energy: -179.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2028.091198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.091198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.091198 (E_RNA)
where:
Base-Base interactions energy: -1434.879
where: short stacking energy: -582.503
Base-Backbone interact. energy: 1.849
local terms energy: -595.061009
where:
bonds (distance) C4'-P energy: -97.959
bonds (distance) P-C4' energy: -109.874
flat angles C4'-P-C4' energy: -130.021
flat angles P-C4'-P energy: -92.900
tors. eta vs tors. theta energy: -164.307
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: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1904.091222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.091222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.091222 (E_RNA)
where:
Base-Base interactions energy: -1296.398
where: short stacking energy: -555.812
Base-Backbone interact. energy: -1.741
local terms energy: -605.952018
where:
bonds (distance) C4'-P energy: -121.065
bonds (distance) P-C4' energy: -110.677
flat angles C4'-P-C4' energy: -130.030
flat angles P-C4'-P energy: -82.079
tors. eta vs tors. theta energy: -162.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1796.498853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.498853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.498853 (E_RNA)
where:
Base-Base interactions energy: -1240.759
where: short stacking energy: -514.129
Base-Backbone interact. energy: -0.386
local terms energy: -555.352944
where:
bonds (distance) C4'-P energy: -98.349
bonds (distance) P-C4' energy: -119.710
flat angles C4'-P-C4' energy: -118.025
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -141.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1633.767917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.767917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.767917 (E_RNA)
where:
Base-Base interactions energy: -1095.894
where: short stacking energy: -465.044
Base-Backbone interact. energy: -2.618
local terms energy: -535.255659
where:
bonds (distance) C4'-P energy: -107.563
bonds (distance) P-C4' energy: -110.247
flat angles C4'-P-C4' energy: -118.442
flat angles P-C4'-P energy: -75.334
tors. eta vs tors. theta energy: -123.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1596.810147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.810147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.810147 (E_RNA)
where:
Base-Base interactions energy: -1108.559
where: short stacking energy: -467.103
Base-Backbone interact. energy: -0.551
local terms energy: -487.700113
where:
bonds (distance) C4'-P energy: -94.152
bonds (distance) P-C4' energy: -88.951
flat angles C4'-P-C4' energy: -126.130
flat angles P-C4'-P energy: -55.597
tors. eta vs tors. theta energy: -122.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1353.143374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.143374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.143374 (E_RNA)
where:
Base-Base interactions energy: -890.938
where: short stacking energy: -391.349
Base-Backbone interact. energy: -0.674
local terms energy: -461.531871
where:
bonds (distance) C4'-P energy: -93.603
bonds (distance) P-C4' energy: -86.963
flat angles C4'-P-C4' energy: -99.656
flat angles P-C4'-P energy: -76.468
tors. eta vs tors. theta energy: -104.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1166.048765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.048765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.048765 (E_RNA)
where:
Base-Base interactions energy: -752.375
where: short stacking energy: -339.175
Base-Backbone interact. energy: -0.369
local terms energy: -413.305304
where:
bonds (distance) C4'-P energy: -74.374
bonds (distance) P-C4' energy: -97.508
flat angles C4'-P-C4' energy: -103.829
flat angles P-C4'-P energy: -70.493
tors. eta vs tors. theta energy: -67.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -909.204200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.204200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.204200 (E_RNA)
where:
Base-Base interactions energy: -513.686
where: short stacking energy: -231.750
Base-Backbone interact. energy: -0.665
local terms energy: -394.853000
where:
bonds (distance) C4'-P energy: -86.641
bonds (distance) P-C4' energy: -98.122
flat angles C4'-P-C4' energy: -99.649
flat angles P-C4'-P energy: -66.602
tors. eta vs tors. theta energy: -43.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -465.397142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.397142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.397142 (E_RNA)
where:
Base-Base interactions energy: -140.848
where: short stacking energy: -116.984
Base-Backbone interact. energy: 7.236
local terms energy: -331.784940
where:
bonds (distance) C4'-P energy: -107.012
bonds (distance) P-C4' energy: -105.955
flat angles C4'-P-C4' energy: -99.547
flat angles P-C4'-P energy: -46.345
tors. eta vs tors. theta energy: 27.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2096.816587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.816587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.816587 (E_RNA)
where:
Base-Base interactions energy: -1462.000
where: short stacking energy: -605.977
Base-Backbone interact. energy: -2.987
local terms energy: -631.829331
where:
bonds (distance) C4'-P energy: -105.342
bonds (distance) P-C4' energy: -113.691
flat angles C4'-P-C4' energy: -136.513
flat angles P-C4'-P energy: -98.042
tors. eta vs tors. theta energy: -178.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2025.207173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.207173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.207173 (E_RNA)
where:
Base-Base interactions energy: -1404.610
where: short stacking energy: -570.340
Base-Backbone interact. energy: -2.904
local terms energy: -617.693190
where:
bonds (distance) C4'-P energy: -116.526
bonds (distance) P-C4' energy: -111.183
flat angles C4'-P-C4' energy: -135.362
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -179.554
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: 380
Temperature: 1.000000
Total energy: -1855.382118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.382118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.382118 (E_RNA)
where:
Base-Base interactions energy: -1255.316
where: short stacking energy: -523.875
Base-Backbone interact. energy: -3.992
local terms energy: -596.074598
where:
bonds (distance) C4'-P energy: -113.101
bonds (distance) P-C4' energy: -112.033
flat angles C4'-P-C4' energy: -139.631
flat angles P-C4'-P energy: -75.991
tors. eta vs tors. theta energy: -155.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1844.192285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.192285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.192285 (E_RNA)
where:
Base-Base interactions energy: -1281.672
where: short stacking energy: -519.028
Base-Backbone interact. energy: -1.560
local terms energy: -560.960709
where:
bonds (distance) C4'-P energy: -109.470
bonds (distance) P-C4' energy: -108.053
flat angles C4'-P-C4' energy: -116.288
flat angles P-C4'-P energy: -70.440
tors. eta vs tors. theta energy: -156.710
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: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1645.647379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.647379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.647379 (E_RNA)
where:
Base-Base interactions energy: -1082.501
where: short stacking energy: -449.289
Base-Backbone interact. energy: -1.589
local terms energy: -561.557250
where:
bonds (distance) C4'-P energy: -115.961
bonds (distance) P-C4' energy: -117.515
flat angles C4'-P-C4' energy: -117.100
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -136.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1570.798504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.798504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.798504 (E_RNA)
where:
Base-Base interactions energy: -1056.853
where: short stacking energy: -450.479
Base-Backbone interact. energy: -1.440
local terms energy: -512.505514
where:
bonds (distance) C4'-P energy: -100.098
bonds (distance) P-C4' energy: -99.425
flat angles C4'-P-C4' energy: -121.287
flat angles P-C4'-P energy: -73.798
tors. eta vs tors. theta energy: -117.897
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: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1369.014775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.014775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.014775 (E_RNA)
where:
Base-Base interactions energy: -892.382
where: short stacking energy: -394.279
Base-Backbone interact. energy: -0.997
local terms energy: -475.636060
where:
bonds (distance) C4'-P energy: -98.890
bonds (distance) P-C4' energy: -95.413
flat angles C4'-P-C4' energy: -87.569
flat angles P-C4'-P energy: -85.633
tors. eta vs tors. theta energy: -108.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1141.476007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.476007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.476007 (E_RNA)
where:
Base-Base interactions energy: -708.894
where: short stacking energy: -301.326
Base-Backbone interact. energy: -1.879
local terms energy: -430.703379
where:
bonds (distance) C4'-P energy: -98.892
bonds (distance) P-C4' energy: -94.852
flat angles C4'-P-C4' energy: -99.703
flat angles P-C4'-P energy: -71.094
tors. eta vs tors. theta energy: -66.163
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: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -845.545792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.545792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.545792 (E_RNA)
where:
Base-Base interactions energy: -500.085
where: short stacking energy: -236.481
Base-Backbone interact. energy: -1.591
local terms energy: -343.869917
where:
bonds (distance) C4'-P energy: -78.294
bonds (distance) P-C4' energy: -84.749
flat angles C4'-P-C4' energy: -100.090
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -31.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -452.502670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.502670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.502670 (E_RNA)
where:
Base-Base interactions energy: -143.874
where: short stacking energy: -116.463
Base-Backbone interact. energy: 2.697
local terms energy: -311.325739
where:
bonds (distance) C4'-P energy: -82.723
bonds (distance) P-C4' energy: -98.015
flat angles C4'-P-C4' energy: -92.908
flat angles P-C4'-P energy: -57.872
tors. eta vs tors. theta energy: 20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2084.853983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.853983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.853983 (E_RNA)
where:
Base-Base interactions energy: -1451.841
where: short stacking energy: -581.058
Base-Backbone interact. energy: -0.392
local terms energy: -632.621634
where:
bonds (distance) C4'-P energy: -114.882
bonds (distance) P-C4' energy: -115.682
flat angles C4'-P-C4' energy: -137.455
flat angles P-C4'-P energy: -90.955
tors. eta vs tors. theta energy: -173.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2012.589868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.589868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.589868 (E_RNA)
where:
Base-Base interactions energy: -1397.661
where: short stacking energy: -579.406
Base-Backbone interact. energy: 0.044
local terms energy: -614.972345
where:
bonds (distance) C4'-P energy: -97.773
bonds (distance) P-C4' energy: -122.268
flat angles C4'-P-C4' energy: -129.559
flat angles P-C4'-P energy: -84.648
tors. eta vs tors. theta energy: -180.724
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: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1860.716252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.716252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.716252 (E_RNA)
where:
Base-Base interactions energy: -1276.127
where: short stacking energy: -518.611
Base-Backbone interact. energy: -0.812
local terms energy: -583.777173
where:
bonds (distance) C4'-P energy: -103.276
bonds (distance) P-C4' energy: -115.150
flat angles C4'-P-C4' energy: -124.113
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -152.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1796.066988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.066988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.066988 (E_RNA)
where:
Base-Base interactions energy: -1244.066
where: short stacking energy: -511.608
Base-Backbone interact. energy: 2.088
local terms energy: -554.088989
where:
bonds (distance) C4'-P energy: -104.747
bonds (distance) P-C4' energy: -102.236
flat angles C4'-P-C4' energy: -120.975
flat angles P-C4'-P energy: -74.832
tors. eta vs tors. theta energy: -151.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1685.489681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.489681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.489681 (E_RNA)
where:
Base-Base interactions energy: -1158.711
where: short stacking energy: -494.135
Base-Backbone interact. energy: -2.013
local terms energy: -524.765725
where:
bonds (distance) C4'-P energy: -110.754
bonds (distance) P-C4' energy: -91.724
flat angles C4'-P-C4' energy: -111.726
flat angles P-C4'-P energy: -74.557
tors. eta vs tors. theta energy: -136.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1534.956022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.956022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.956022 (E_RNA)
where:
Base-Base interactions energy: -1035.651
where: short stacking energy: -439.702
Base-Backbone interact. energy: -3.172
local terms energy: -496.132343
where:
bonds (distance) C4'-P energy: -92.481
bonds (distance) P-C4' energy: -106.898
flat angles C4'-P-C4' energy: -105.515
flat angles P-C4'-P energy: -71.221
tors. eta vs tors. theta energy: -120.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1344.466316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.466316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.466316 (E_RNA)
where:
Base-Base interactions energy: -881.778
where: short stacking energy: -374.678
Base-Backbone interact. energy: 2.878
local terms energy: -465.566669
where:
bonds (distance) C4'-P energy: -91.309
bonds (distance) P-C4' energy: -106.347
flat angles C4'-P-C4' energy: -113.935
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: -93.098
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: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1108.031844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.031844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.031844 (E_RNA)
where:
Base-Base interactions energy: -714.203
where: short stacking energy: -323.707
Base-Backbone interact. energy: 0.210
local terms energy: -394.038639
where:
bonds (distance) C4'-P energy: -75.200
bonds (distance) P-C4' energy: -94.536
flat angles C4'-P-C4' energy: -107.679
flat angles P-C4'-P energy: -51.561
tors. eta vs tors. theta energy: -65.063
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: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -871.623002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.623002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.623002 (E_RNA)
where:
Base-Base interactions energy: -500.000
where: short stacking energy: -225.156
Base-Backbone interact. energy: -1.690
local terms energy: -369.932862
where:
bonds (distance) C4'-P energy: -94.332
bonds (distance) P-C4' energy: -102.343
flat angles C4'-P-C4' energy: -95.871
flat angles P-C4'-P energy: -51.262
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -477.488026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.488026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.488026 (E_RNA)
where:
Base-Base interactions energy: -166.117
where: short stacking energy: -145.984
Base-Backbone interact. energy: 6.145
local terms energy: -317.516017
where:
bonds (distance) C4'-P energy: -87.608
bonds (distance) P-C4' energy: -106.675
flat angles C4'-P-C4' energy: -78.813
flat angles P-C4'-P energy: -55.225
tors. eta vs tors. theta energy: 10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2069.985734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.985734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.985734 (E_RNA)
where:
Base-Base interactions energy: -1442.275
where: short stacking energy: -587.121
Base-Backbone interact. energy: 0.850
local terms energy: -628.561152
where:
bonds (distance) C4'-P energy: -111.587
bonds (distance) P-C4' energy: -126.614
flat angles C4'-P-C4' energy: -131.452
flat angles P-C4'-P energy: -88.618
tors. eta vs tors. theta energy: -170.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2018.374939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.374939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.374939 (E_RNA)
where:
Base-Base interactions energy: -1398.743
where: short stacking energy: -583.179
Base-Backbone interact. energy: -2.817
local terms energy: -616.814991
where:
bonds (distance) C4'-P energy: -104.122
bonds (distance) P-C4' energy: -110.446
flat angles C4'-P-C4' energy: -140.146
flat angles P-C4'-P energy: -81.706
tors. eta vs tors. theta energy: -180.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1847.243353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.243353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.243353 (E_RNA)
where:
Base-Base interactions energy: -1273.840
where: short stacking energy: -554.173
Base-Backbone interact. energy: 0.105
local terms energy: -573.509176
where:
bonds (distance) C4'-P energy: -104.118
bonds (distance) P-C4' energy: -101.819
flat angles C4'-P-C4' energy: -126.194
flat angles P-C4'-P energy: -78.027
tors. eta vs tors. theta energy: -163.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1785.001466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.001466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.001466 (E_RNA)
where:
Base-Base interactions energy: -1198.801
where: short stacking energy: -495.950
Base-Backbone interact. energy: 0.240
local terms energy: -586.440313
where:
bonds (distance) C4'-P energy: -112.094
bonds (distance) P-C4' energy: -119.975
flat angles C4'-P-C4' energy: -121.254
flat angles P-C4'-P energy: -83.102
tors. eta vs tors. theta energy: -150.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1640.394119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.394119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.394119 (E_RNA)
where:
Base-Base interactions energy: -1105.057
where: short stacking energy: -465.534
Base-Backbone interact. energy: -2.532
local terms energy: -532.805197
where:
bonds (distance) C4'-P energy: -104.902
bonds (distance) P-C4' energy: -101.081
flat angles C4'-P-C4' energy: -115.996
flat angles P-C4'-P energy: -80.347
tors. eta vs tors. theta energy: -130.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1529.854717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.854717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.854717 (E_RNA)
where:
Base-Base interactions energy: -1009.115
where: short stacking energy: -406.630
Base-Backbone interact. energy: -1.319
local terms energy: -519.420712
where:
bonds (distance) C4'-P energy: -93.385
bonds (distance) P-C4' energy: -117.033
flat angles C4'-P-C4' energy: -124.694
flat angles P-C4'-P energy: -65.989
tors. eta vs tors. theta energy: -118.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1355.193054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.193054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.193054 (E_RNA)
where:
Base-Base interactions energy: -885.205
where: short stacking energy: -388.885
Base-Backbone interact. energy: -1.454
local terms energy: -468.533741
where:
bonds (distance) C4'-P energy: -85.304
bonds (distance) P-C4' energy: -98.275
flat angles C4'-P-C4' energy: -102.487
flat angles P-C4'-P energy: -70.215
tors. eta vs tors. theta energy: -112.253
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: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1046.000875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.000875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.000875 (E_RNA)
where:
Base-Base interactions energy: -649.813
where: short stacking energy: -307.569
Base-Backbone interact. energy: 0.864
local terms energy: -397.051784
where:
bonds (distance) C4'-P energy: -85.966
bonds (distance) P-C4' energy: -99.066
flat angles C4'-P-C4' energy: -93.338
flat angles P-C4'-P energy: -72.183
tors. eta vs tors. theta energy: -46.499
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: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -833.338525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.338525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.338525 (E_RNA)
where:
Base-Base interactions energy: -479.229
where: short stacking energy: -235.883
Base-Backbone interact. energy: -0.691
local terms energy: -353.418297
where:
bonds (distance) C4'-P energy: -98.793
bonds (distance) P-C4' energy: -102.440
flat angles C4'-P-C4' energy: -84.995
flat angles P-C4'-P energy: -37.191
tors. eta vs tors. theta energy: -30.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -479.409958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.409958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.409958 (E_RNA)
where:
Base-Base interactions energy: -182.989
where: short stacking energy: -110.103
Base-Backbone interact. energy: 2.398
local terms energy: -298.818889
where:
bonds (distance) C4'-P energy: -93.053
bonds (distance) P-C4' energy: -100.557
flat angles C4'-P-C4' energy: -77.842
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: 17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2061.851749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.851749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.851749 (E_RNA)
where:
Base-Base interactions energy: -1426.084
where: short stacking energy: -574.067
Base-Backbone interact. energy: -1.352
local terms energy: -634.416022
where:
bonds (distance) C4'-P energy: -110.689
bonds (distance) P-C4' energy: -123.463
flat angles C4'-P-C4' energy: -141.546
flat angles P-C4'-P energy: -90.801
tors. eta vs tors. theta energy: -167.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2019.365539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.365539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.365539 (E_RNA)
where:
Base-Base interactions energy: -1384.446
where: short stacking energy: -573.646
Base-Backbone interact. energy: -1.701
local terms energy: -633.218809
where:
bonds (distance) C4'-P energy: -116.395
bonds (distance) P-C4' energy: -107.554
flat angles C4'-P-C4' energy: -133.756
flat angles P-C4'-P energy: -92.928
tors. eta vs tors. theta energy: -182.585
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: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1866.148678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.148678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.148678 (E_RNA)
where:
Base-Base interactions energy: -1291.726
where: short stacking energy: -536.671
Base-Backbone interact. energy: -0.562
local terms energy: -573.860291
where:
bonds (distance) C4'-P energy: -109.505
bonds (distance) P-C4' energy: -109.830
flat angles C4'-P-C4' energy: -122.879
flat angles P-C4'-P energy: -83.407
tors. eta vs tors. theta energy: -148.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1806.126413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.126413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.126413 (E_RNA)
where:
Base-Base interactions energy: -1225.478
where: short stacking energy: -529.794
Base-Backbone interact. energy: -2.375
local terms energy: -578.272960
where:
bonds (distance) C4'-P energy: -107.961
bonds (distance) P-C4' energy: -105.742
flat angles C4'-P-C4' energy: -119.714
flat angles P-C4'-P energy: -79.358
tors. eta vs tors. theta energy: -165.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1618.763679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.763679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.763679 (E_RNA)
where:
Base-Base interactions energy: -1088.488
where: short stacking energy: -462.816
Base-Backbone interact. energy: 2.509
local terms energy: -532.784708
where:
bonds (distance) C4'-P energy: -97.627
bonds (distance) P-C4' energy: -103.367
flat angles C4'-P-C4' energy: -122.244
flat angles P-C4'-P energy: -70.596
tors. eta vs tors. theta energy: -138.951
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: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1532.263831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.263831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.263831 (E_RNA)
where:
Base-Base interactions energy: -1019.243
where: short stacking energy: -462.697
Base-Backbone interact. energy: -1.156
local terms energy: -511.864474
where:
bonds (distance) C4'-P energy: -93.619
bonds (distance) P-C4' energy: -95.888
flat angles C4'-P-C4' energy: -110.542
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -135.759
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: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1381.371469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.371469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.371469 (E_RNA)
where:
Base-Base interactions energy: -906.691
where: short stacking energy: -404.183
Base-Backbone interact. energy: -1.303
local terms energy: -473.378078
where:
bonds (distance) C4'-P energy: -94.762
bonds (distance) P-C4' energy: -102.248
flat angles C4'-P-C4' energy: -109.705
flat angles P-C4'-P energy: -65.296
tors. eta vs tors. theta energy: -101.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1043.348680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.348680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.348680 (E_RNA)
where:
Base-Base interactions energy: -616.153
where: short stacking energy: -289.728
Base-Backbone interact. energy: 0.144
local terms energy: -427.339159
where:
bonds (distance) C4'-P energy: -93.558
bonds (distance) P-C4' energy: -103.123
flat angles C4'-P-C4' energy: -87.955
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -66.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -750.779061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.779061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.779061 (E_RNA)
where:
Base-Base interactions energy: -416.165
where: short stacking energy: -221.967
Base-Backbone interact. energy: -1.432
local terms energy: -333.181556
where:
bonds (distance) C4'-P energy: -101.722
bonds (distance) P-C4' energy: -92.935
flat angles C4'-P-C4' energy: -85.489
flat angles P-C4'-P energy: -46.002
tors. eta vs tors. theta energy: -7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -454.794703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.794703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.794703 (E_RNA)
where:
Base-Base interactions energy: -132.125
where: short stacking energy: -113.613
Base-Backbone interact. energy: -1.684
local terms energy: -320.986320
where:
bonds (distance) C4'-P energy: -111.237
bonds (distance) P-C4' energy: -112.849
flat angles C4'-P-C4' energy: -82.072
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: 24.165
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: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2096.682532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.682532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.682532 (E_RNA)
where:
Base-Base interactions energy: -1456.639
where: short stacking energy: -579.356
Base-Backbone interact. energy: -1.297
local terms energy: -638.747351
where:
bonds (distance) C4'-P energy: -114.081
bonds (distance) P-C4' energy: -121.867
flat angles C4'-P-C4' energy: -141.340
flat angles P-C4'-P energy: -98.981
tors. eta vs tors. theta energy: -162.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1993.842306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.842306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.842306 (E_RNA)
where:
Base-Base interactions energy: -1376.780
where: short stacking energy: -594.132
Base-Backbone interact. energy: -2.779
local terms energy: -614.283279
where:
bonds (distance) C4'-P energy: -115.326
bonds (distance) P-C4' energy: -117.979
flat angles C4'-P-C4' energy: -129.374
flat angles P-C4'-P energy: -78.879
tors. eta vs tors. theta energy: -172.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1891.100322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.100322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.100322 (E_RNA)
where:
Base-Base interactions energy: -1311.283
where: short stacking energy: -551.632
Base-Backbone interact. energy: -1.474
local terms energy: -578.343327
where:
bonds (distance) C4'-P energy: -116.752
bonds (distance) P-C4' energy: -100.294
flat angles C4'-P-C4' energy: -117.530
flat angles P-C4'-P energy: -77.675
tors. eta vs tors. theta energy: -166.092
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: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1768.620256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.620256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.620256 (E_RNA)
where:
Base-Base interactions energy: -1193.191
where: short stacking energy: -532.557
Base-Backbone interact. energy: 0.566
local terms energy: -575.994850
where:
bonds (distance) C4'-P energy: -112.793
bonds (distance) P-C4' energy: -106.644
flat angles C4'-P-C4' energy: -128.150
flat angles P-C4'-P energy: -79.118
tors. eta vs tors. theta energy: -149.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1636.979797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.979797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.979797 (E_RNA)
where:
Base-Base interactions energy: -1092.017
where: short stacking energy: -456.100
Base-Backbone interact. energy: -3.975
local terms energy: -540.987064
where:
bonds (distance) C4'-P energy: -99.677
bonds (distance) P-C4' energy: -112.350
flat angles C4'-P-C4' energy: -132.131
flat angles P-C4'-P energy: -64.673
tors. eta vs tors. theta energy: -132.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1643.203732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.203732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.203732 (E_RNA)
where:
Base-Base interactions energy: -1124.520
where: short stacking energy: -467.884
Base-Backbone interact. energy: 2.958
local terms energy: -521.641703
where:
bonds (distance) C4'-P energy: -104.624
bonds (distance) P-C4' energy: -101.725
flat angles C4'-P-C4' energy: -117.859
flat angles P-C4'-P energy: -64.402
tors. eta vs tors. theta energy: -133.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1348.471595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.471595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.471595 (E_RNA)
where:
Base-Base interactions energy: -870.250
where: short stacking energy: -385.293
Base-Backbone interact. energy: -0.464
local terms energy: -477.757760
where:
bonds (distance) C4'-P energy: -97.679
bonds (distance) P-C4' energy: -114.311
flat angles C4'-P-C4' energy: -106.447
flat angles P-C4'-P energy: -68.700
tors. eta vs tors. theta energy: -90.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1133.030404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.030404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.030404 (E_RNA)
where:
Base-Base interactions energy: -714.940
where: short stacking energy: -359.591
Base-Backbone interact. energy: -0.657
local terms energy: -417.433418
where:
bonds (distance) C4'-P energy: -81.506
bonds (distance) P-C4' energy: -119.848
flat angles C4'-P-C4' energy: -88.097
flat angles P-C4'-P energy: -57.619
tors. eta vs tors. theta energy: -70.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -772.834080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.834080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.834080 (E_RNA)
where:
Base-Base interactions energy: -404.313
where: short stacking energy: -219.603
Base-Backbone interact. energy: 1.241
local terms energy: -369.762019
where:
bonds (distance) C4'-P energy: -94.214
bonds (distance) P-C4' energy: -92.953
flat angles C4'-P-C4' energy: -101.392
flat angles P-C4'-P energy: -58.476
tors. eta vs tors. theta energy: -22.727
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: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -450.446798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.446798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.446798 (E_RNA)
where:
Base-Base interactions energy: -142.504
where: short stacking energy: -123.503
Base-Backbone interact. energy: 0.281
local terms energy: -308.222925
where:
bonds (distance) C4'-P energy: -85.368
bonds (distance) P-C4' energy: -100.724
flat angles C4'-P-C4' energy: -78.549
flat angles P-C4'-P energy: -50.307
tors. eta vs tors. theta energy: 6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2079.409163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.409163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.409163 (E_RNA)
where:
Base-Base interactions energy: -1444.252
where: short stacking energy: -597.894
Base-Backbone interact. energy: -3.254
local terms energy: -631.903858
where:
bonds (distance) C4'-P energy: -103.109
bonds (distance) P-C4' energy: -114.308
flat angles C4'-P-C4' energy: -142.858
flat angles P-C4'-P energy: -92.801
tors. eta vs tors. theta energy: -178.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2004.739696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.739696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.739696 (E_RNA)
where:
Base-Base interactions energy: -1391.533
where: short stacking energy: -586.312
Base-Backbone interact. energy: 3.537
local terms energy: -616.743835
where:
bonds (distance) C4'-P energy: -108.663
bonds (distance) P-C4' energy: -116.250
flat angles C4'-P-C4' energy: -131.914
flat angles P-C4'-P energy: -86.253
tors. eta vs tors. theta energy: -173.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1883.286038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.286038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.286038 (E_RNA)
where:
Base-Base interactions energy: -1307.459
where: short stacking energy: -537.284
Base-Backbone interact. energy: -2.372
local terms energy: -573.454493
where:
bonds (distance) C4'-P energy: -105.909
bonds (distance) P-C4' energy: -110.405
flat angles C4'-P-C4' energy: -121.466
flat angles P-C4'-P energy: -83.259
tors. eta vs tors. theta energy: -152.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1773.511343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.511343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.511343 (E_RNA)
where:
Base-Base interactions energy: -1195.350
where: short stacking energy: -544.681
Base-Backbone interact. energy: 4.698
local terms energy: -582.859908
where:
bonds (distance) C4'-P energy: -107.885
bonds (distance) P-C4' energy: -115.858
flat angles C4'-P-C4' energy: -118.162
flat angles P-C4'-P energy: -81.141
tors. eta vs tors. theta energy: -159.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1621.758251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.758251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.758251 (E_RNA)
where:
Base-Base interactions energy: -1095.140
where: short stacking energy: -478.022
Base-Backbone interact. energy: -2.498
local terms energy: -524.120774
where:
bonds (distance) C4'-P energy: -120.854
bonds (distance) P-C4' energy: -115.422
flat angles C4'-P-C4' energy: -110.739
flat angles P-C4'-P energy: -59.560
tors. eta vs tors. theta energy: -117.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1579.632067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.632067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.632067 (E_RNA)
where:
Base-Base interactions energy: -1067.157
where: short stacking energy: -456.123
Base-Backbone interact. energy: -1.436
local terms energy: -511.038904
where:
bonds (distance) C4'-P energy: -107.908
bonds (distance) P-C4' energy: -96.449
flat angles C4'-P-C4' energy: -117.276
flat angles P-C4'-P energy: -65.763
tors. eta vs tors. theta energy: -123.643
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: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1297.934122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.934122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.934122 (E_RNA)
where:
Base-Base interactions energy: -841.559
where: short stacking energy: -358.533
Base-Backbone interact. energy: -1.096
local terms energy: -455.278698
where:
bonds (distance) C4'-P energy: -91.741
bonds (distance) P-C4' energy: -101.077
flat angles C4'-P-C4' energy: -107.083
flat angles P-C4'-P energy: -59.909
tors. eta vs tors. theta energy: -95.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1071.906371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.906371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.906371 (E_RNA)
where:
Base-Base interactions energy: -653.444
where: short stacking energy: -299.062
Base-Backbone interact. energy: 4.611
local terms energy: -423.073502
where:
bonds (distance) C4'-P energy: -90.138
bonds (distance) P-C4' energy: -102.102
flat angles C4'-P-C4' energy: -95.667
flat angles P-C4'-P energy: -66.841
tors. eta vs tors. theta energy: -68.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -783.485802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.485802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.485802 (E_RNA)
where:
Base-Base interactions energy: -433.512
where: short stacking energy: -235.268
Base-Backbone interact. energy: 0.768
local terms energy: -350.741030
where:
bonds (distance) C4'-P energy: -88.681
bonds (distance) P-C4' energy: -95.489
flat angles C4'-P-C4' energy: -83.500
flat angles P-C4'-P energy: -54.832
tors. eta vs tors. theta energy: -28.238
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: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -446.359421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.359421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.359421 (E_RNA)
where:
Base-Base interactions energy: -161.691
where: short stacking energy: -141.290
Base-Backbone interact. energy: -0.083
local terms energy: -284.585540
where:
bonds (distance) C4'-P energy: -93.438
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -89.717
flat angles P-C4'-P energy: -41.098
tors. eta vs tors. theta energy: 14.986
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: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2103.717506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.717506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.717506 (E_RNA)
where:
Base-Base interactions energy: -1447.451
where: short stacking energy: -589.233
Base-Backbone interact. energy: -4.212
local terms energy: -652.054709
where:
bonds (distance) C4'-P energy: -122.993
bonds (distance) P-C4' energy: -118.629
flat angles C4'-P-C4' energy: -132.515
flat angles P-C4'-P energy: -98.471
tors. eta vs tors. theta energy: -179.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1981.334269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.334269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.334269 (E_RNA)
where:
Base-Base interactions energy: -1374.644
where: short stacking energy: -571.043
Base-Backbone interact. energy: -1.963
local terms energy: -604.727927
where:
bonds (distance) C4'-P energy: -105.296
bonds (distance) P-C4' energy: -108.981
flat angles C4'-P-C4' energy: -122.253
flat angles P-C4'-P energy: -95.262
tors. eta vs tors. theta energy: -172.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1844.997931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.997931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.997931 (E_RNA)
where:
Base-Base interactions energy: -1279.146
where: short stacking energy: -518.623
Base-Backbone interact. energy: -2.633
local terms energy: -563.218898
where:
bonds (distance) C4'-P energy: -115.358
bonds (distance) P-C4' energy: -112.401
flat angles C4'-P-C4' energy: -115.530
flat angles P-C4'-P energy: -71.848
tors. eta vs tors. theta energy: -148.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1770.323842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.323842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.323842 (E_RNA)
where:
Base-Base interactions energy: -1178.754
where: short stacking energy: -528.644
Base-Backbone interact. energy: -1.664
local terms energy: -589.906554
where:
bonds (distance) C4'-P energy: -112.927
bonds (distance) P-C4' energy: -104.419
flat angles C4'-P-C4' energy: -126.622
flat angles P-C4'-P energy: -83.430
tors. eta vs tors. theta energy: -162.509
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: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1651.709464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.709464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.709464 (E_RNA)
where:
Base-Base interactions energy: -1109.834
where: short stacking energy: -477.567
Base-Backbone interact. energy: -0.990
local terms energy: -540.885388
where:
bonds (distance) C4'-P energy: -94.413
bonds (distance) P-C4' energy: -102.903
flat angles C4'-P-C4' energy: -117.481
flat angles P-C4'-P energy: -85.071
tors. eta vs tors. theta energy: -141.018
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: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1532.066049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.066049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.066049 (E_RNA)
where:
Base-Base interactions energy: -1021.883
where: short stacking energy: -421.296
Base-Backbone interact. energy: -6.835
local terms energy: -503.348187
where:
bonds (distance) C4'-P energy: -102.117
bonds (distance) P-C4' energy: -104.973
flat angles C4'-P-C4' energy: -113.196
flat angles P-C4'-P energy: -81.404
tors. eta vs tors. theta energy: -101.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1293.954210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.954210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.954210 (E_RNA)
where:
Base-Base interactions energy: -812.579
where: short stacking energy: -356.726
Base-Backbone interact. energy: -2.393
local terms energy: -478.981820
where:
bonds (distance) C4'-P energy: -99.736
bonds (distance) P-C4' energy: -102.346
flat angles C4'-P-C4' energy: -108.284
flat angles P-C4'-P energy: -82.788
tors. eta vs tors. theta energy: -85.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1089.784562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.784562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.784562 (E_RNA)
where:
Base-Base interactions energy: -666.266
where: short stacking energy: -323.621
Base-Backbone interact. energy: 1.965
local terms energy: -425.483853
where:
bonds (distance) C4'-P energy: -99.491
bonds (distance) P-C4' energy: -102.524
flat angles C4'-P-C4' energy: -106.142
flat angles P-C4'-P energy: -51.943
tors. eta vs tors. theta energy: -65.383
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: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -746.739825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.739825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.739825 (E_RNA)
where:
Base-Base interactions energy: -419.668
where: short stacking energy: -241.326
Base-Backbone interact. energy: -2.826
local terms energy: -324.245950
where:
bonds (distance) C4'-P energy: -93.242
bonds (distance) P-C4' energy: -84.094
flat angles C4'-P-C4' energy: -78.294
flat angles P-C4'-P energy: -53.782
tors. eta vs tors. theta energy: -14.834
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: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -457.358033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.358033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.358033 (E_RNA)
where:
Base-Base interactions energy: -150.740
where: short stacking energy: -122.448
Base-Backbone interact. energy: 2.424
local terms energy: -309.042635
where:
bonds (distance) C4'-P energy: -98.005
bonds (distance) P-C4' energy: -109.508
flat angles C4'-P-C4' energy: -80.682
flat angles P-C4'-P energy: -48.974
tors. eta vs tors. theta energy: 28.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2077.525017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.525017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.525017 (E_RNA)
where:
Base-Base interactions energy: -1451.770
where: short stacking energy: -604.557
Base-Backbone interact. energy: -2.606
local terms energy: -623.148347
where:
bonds (distance) C4'-P energy: -107.096
bonds (distance) P-C4' energy: -119.254
flat angles C4'-P-C4' energy: -139.527
flat angles P-C4'-P energy: -86.965
tors. eta vs tors. theta energy: -170.307
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: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1954.169765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.169765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.169765 (E_RNA)
where:
Base-Base interactions energy: -1351.639
where: short stacking energy: -554.875
Base-Backbone interact. energy: -2.679
local terms energy: -599.851951
where:
bonds (distance) C4'-P energy: -112.887
bonds (distance) P-C4' energy: -106.014
flat angles C4'-P-C4' energy: -132.355
flat angles P-C4'-P energy: -80.648
tors. eta vs tors. theta energy: -167.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1898.159194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.159194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.159194 (E_RNA)
where:
Base-Base interactions energy: -1300.923
where: short stacking energy: -541.998
Base-Backbone interact. energy: -0.971
local terms energy: -596.264867
where:
bonds (distance) C4'-P energy: -108.960
bonds (distance) P-C4' energy: -114.012
flat angles C4'-P-C4' energy: -123.881
flat angles P-C4'-P energy: -96.177
tors. eta vs tors. theta energy: -153.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1755.882303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.882303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.882303 (E_RNA)
where:
Base-Base interactions energy: -1188.939
where: short stacking energy: -522.194
Base-Backbone interact. energy: -1.291
local terms energy: -565.651515
where:
bonds (distance) C4'-P energy: -97.646
bonds (distance) P-C4' energy: -105.655
flat angles C4'-P-C4' energy: -120.619
flat angles P-C4'-P energy: -88.682
tors. eta vs tors. theta energy: -153.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1677.214973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.214973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.214973 (E_RNA)
where:
Base-Base interactions energy: -1109.769
where: short stacking energy: -478.397
Base-Backbone interact. energy: -1.221
local terms energy: -566.224646
where:
bonds (distance) C4'-P energy: -115.278
bonds (distance) P-C4' energy: -97.529
flat angles C4'-P-C4' energy: -128.456
flat angles P-C4'-P energy: -79.473
tors. eta vs tors. theta energy: -145.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1534.250541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.250541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.250541 (E_RNA)
where:
Base-Base interactions energy: -1013.569
where: short stacking energy: -465.122
Base-Backbone interact. energy: -1.111
local terms energy: -519.571199
where:
bonds (distance) C4'-P energy: -111.901
bonds (distance) P-C4' energy: -84.357
flat angles C4'-P-C4' energy: -126.316
flat angles P-C4'-P energy: -79.200
tors. eta vs tors. theta energy: -117.797
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: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1358.583011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.583011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.583011 (E_RNA)
where:
Base-Base interactions energy: -905.170
where: short stacking energy: -390.441
Base-Backbone interact. energy: 3.317
local terms energy: -456.729927
where:
bonds (distance) C4'-P energy: -96.645
bonds (distance) P-C4' energy: -87.754
flat angles C4'-P-C4' energy: -112.993
flat angles P-C4'-P energy: -60.180
tors. eta vs tors. theta energy: -99.157
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: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1078.884485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.884485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.884485 (E_RNA)
where:
Base-Base interactions energy: -671.769
where: short stacking energy: -325.338
Base-Backbone interact. energy: 2.150
local terms energy: -409.265650
where:
bonds (distance) C4'-P energy: -79.906
bonds (distance) P-C4' energy: -102.648
flat angles C4'-P-C4' energy: -91.984
flat angles P-C4'-P energy: -62.929
tors. eta vs tors. theta energy: -71.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -709.281624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.281624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.281624 (E_RNA)
where:
Base-Base interactions energy: -348.204
where: short stacking energy: -206.961
Base-Backbone interact. energy: -1.574
local terms energy: -359.503578
where:
bonds (distance) C4'-P energy: -93.790
bonds (distance) P-C4' energy: -95.168
flat angles C4'-P-C4' energy: -98.381
flat angles P-C4'-P energy: -63.622
tors. eta vs tors. theta energy: -8.543
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: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -456.264055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.264055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.264055 (E_RNA)
where:
Base-Base interactions energy: -162.109
where: short stacking energy: -147.044
Base-Backbone interact. energy: 6.345
local terms energy: -300.499963
where:
bonds (distance) C4'-P energy: -90.373
bonds (distance) P-C4' energy: -104.201
flat angles C4'-P-C4' energy: -79.116
flat angles P-C4'-P energy: -49.441
tors. eta vs tors. theta energy: 22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2067.732869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.732869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.732869 (E_RNA)
where:
Base-Base interactions energy: -1447.615
where: short stacking energy: -580.000
Base-Backbone interact. energy: -3.169
local terms energy: -616.948963
where:
bonds (distance) C4'-P energy: -110.817
bonds (distance) P-C4' energy: -114.124
flat angles C4'-P-C4' energy: -132.574
flat angles P-C4'-P energy: -85.801
tors. eta vs tors. theta energy: -173.633
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: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1990.019025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.019025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.019025 (E_RNA)
where:
Base-Base interactions energy: -1399.333
where: short stacking energy: -575.410
Base-Backbone interact. energy: -1.672
local terms energy: -589.013752
where:
bonds (distance) C4'-P energy: -112.300
bonds (distance) P-C4' energy: -104.316
flat angles C4'-P-C4' energy: -119.726
flat angles P-C4'-P energy: -86.082
tors. eta vs tors. theta energy: -166.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1906.786000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.786000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.786000 (E_RNA)
where:
Base-Base interactions energy: -1319.825
where: short stacking energy: -558.314
Base-Backbone interact. energy: -0.007
local terms energy: -586.953480
where:
bonds (distance) C4'-P energy: -117.141
bonds (distance) P-C4' energy: -111.486
flat angles C4'-P-C4' energy: -124.997
flat angles P-C4'-P energy: -79.994
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: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1835.028141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.028141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.028141 (E_RNA)
where:
Base-Base interactions energy: -1247.199
where: short stacking energy: -553.271
Base-Backbone interact. energy: -5.530
local terms energy: -582.299135
where:
bonds (distance) C4'-P energy: -119.648
bonds (distance) P-C4' energy: -93.266
flat angles C4'-P-C4' energy: -125.818
flat angles P-C4'-P energy: -80.500
tors. eta vs tors. theta energy: -163.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1688.669655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.669655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.669655 (E_RNA)
where:
Base-Base interactions energy: -1155.449
where: short stacking energy: -484.135
Base-Backbone interact. energy: 2.010
local terms energy: -535.230560
where:
bonds (distance) C4'-P energy: -105.839
bonds (distance) P-C4' energy: -96.729
flat angles C4'-P-C4' energy: -127.304
flat angles P-C4'-P energy: -78.388
tors. eta vs tors. theta energy: -126.970
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: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1522.526314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.526314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.526314 (E_RNA)
where:
Base-Base interactions energy: -1044.611
where: short stacking energy: -455.057
Base-Backbone interact. energy: 5.236
local terms energy: -483.151751
where:
bonds (distance) C4'-P energy: -77.534
bonds (distance) P-C4' energy: -113.450
flat angles C4'-P-C4' energy: -99.005
flat angles P-C4'-P energy: -82.255
tors. eta vs tors. theta energy: -110.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1303.879510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.879510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.879510 (E_RNA)
where:
Base-Base interactions energy: -815.765
where: short stacking energy: -360.717
Base-Backbone interact. energy: 1.501
local terms energy: -489.614704
where:
bonds (distance) C4'-P energy: -92.443
bonds (distance) P-C4' energy: -103.901
flat angles C4'-P-C4' energy: -117.249
flat angles P-C4'-P energy: -74.836
tors. eta vs tors. theta energy: -101.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1054.743379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.743379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.743379 (E_RNA)
where:
Base-Base interactions energy: -678.357
where: short stacking energy: -304.311
Base-Backbone interact. energy: 4.615
local terms energy: -381.001004
where:
bonds (distance) C4'-P energy: -85.533
bonds (distance) P-C4' energy: -94.436
flat angles C4'-P-C4' energy: -89.637
flat angles P-C4'-P energy: -65.051
tors. eta vs tors. theta energy: -46.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -698.960981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.960981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.960981 (E_RNA)
where:
Base-Base interactions energy: -359.071
where: short stacking energy: -188.295
Base-Backbone interact. energy: 1.385
local terms energy: -341.275307
where:
bonds (distance) C4'-P energy: -73.632
bonds (distance) P-C4' energy: -107.122
flat angles C4'-P-C4' energy: -92.087
flat angles P-C4'-P energy: -59.813
tors. eta vs tors. theta energy: -8.623
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: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -424.297161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.297161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.297161 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -123.787
Base-Backbone interact. energy: -1.401
local terms energy: -273.484915
where:
bonds (distance) C4'-P energy: -96.919
bonds (distance) P-C4' energy: -102.539
flat angles C4'-P-C4' energy: -56.248
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: 24.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2078.960967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.960967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.960967 (E_RNA)
where:
Base-Base interactions energy: -1447.484
where: short stacking energy: -584.951
Base-Backbone interact. energy: -4.035
local terms energy: -627.441963
where:
bonds (distance) C4'-P energy: -115.061
bonds (distance) P-C4' energy: -123.633
flat angles C4'-P-C4' energy: -137.966
flat angles P-C4'-P energy: -82.696
tors. eta vs tors. theta energy: -168.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2004.488995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.488995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.488995 (E_RNA)
where:
Base-Base interactions energy: -1387.691
where: short stacking energy: -579.556
Base-Backbone interact. energy: -2.393
local terms energy: -614.404484
where:
bonds (distance) C4'-P energy: -111.670
bonds (distance) P-C4' energy: -119.456
flat angles C4'-P-C4' energy: -132.395
flat angles P-C4'-P energy: -83.768
tors. eta vs tors. theta energy: -167.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1885.932215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.932215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.932215 (E_RNA)
where:
Base-Base interactions energy: -1319.732
where: short stacking energy: -549.869
Base-Backbone interact. energy: -1.730
local terms energy: -564.469824
where:
bonds (distance) C4'-P energy: -93.818
bonds (distance) P-C4' energy: -114.900
flat angles C4'-P-C4' energy: -124.661
flat angles P-C4'-P energy: -71.472
tors. eta vs tors. theta energy: -159.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1830.892929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.892929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.892929 (E_RNA)
where:
Base-Base interactions energy: -1236.141
where: short stacking energy: -545.718
Base-Backbone interact. energy: -2.883
local terms energy: -591.869070
where:
bonds (distance) C4'-P energy: -110.244
bonds (distance) P-C4' energy: -109.874
flat angles C4'-P-C4' energy: -128.741
flat angles P-C4'-P energy: -81.690
tors. eta vs tors. theta energy: -161.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1640.636180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.636180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.636180 (E_RNA)
where:
Base-Base interactions energy: -1110.507
where: short stacking energy: -464.701
Base-Backbone interact. energy: 4.601
local terms energy: -534.730075
where:
bonds (distance) C4'-P energy: -102.603
bonds (distance) P-C4' energy: -114.385
flat angles C4'-P-C4' energy: -131.585
flat angles P-C4'-P energy: -58.001
tors. eta vs tors. theta energy: -128.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1512.786801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.786801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.786801 (E_RNA)
where:
Base-Base interactions energy: -1016.965
where: short stacking energy: -413.901
Base-Backbone interact. energy: 0.668
local terms energy: -496.489416
where:
bonds (distance) C4'-P energy: -100.935
bonds (distance) P-C4' energy: -110.637
flat angles C4'-P-C4' energy: -114.160
flat angles P-C4'-P energy: -61.649
tors. eta vs tors. theta energy: -109.109
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: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1305.328797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.328797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.328797 (E_RNA)
where:
Base-Base interactions energy: -845.096
where: short stacking energy: -369.857
Base-Backbone interact. energy: 1.432
local terms energy: -461.665501
where:
bonds (distance) C4'-P energy: -95.672
bonds (distance) P-C4' energy: -92.174
flat angles C4'-P-C4' energy: -115.872
flat angles P-C4'-P energy: -66.723
tors. eta vs tors. theta energy: -91.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1018.452141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.452141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.452141 (E_RNA)
where:
Base-Base interactions energy: -615.236
where: short stacking energy: -289.359
Base-Backbone interact. energy: 5.307
local terms energy: -408.522363
where:
bonds (distance) C4'-P energy: -80.477
bonds (distance) P-C4' energy: -101.660
flat angles C4'-P-C4' energy: -106.432
flat angles P-C4'-P energy: -75.858
tors. eta vs tors. theta energy: -44.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -675.131080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.131080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.131080 (E_RNA)
where:
Base-Base interactions energy: -308.977
where: short stacking energy: -169.709
Base-Backbone interact. energy: 0.229
local terms energy: -366.382553
where:
bonds (distance) C4'-P energy: -118.195
bonds (distance) P-C4' energy: -101.063
flat angles C4'-P-C4' energy: -89.482
flat angles P-C4'-P energy: -51.713
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -519.333798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.333798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.333798 (E_RNA)
where:
Base-Base interactions energy: -226.004
where: short stacking energy: -136.880
Base-Backbone interact. energy: -3.863
local terms energy: -289.466654
where:
bonds (distance) C4'-P energy: -90.156
bonds (distance) P-C4' energy: -85.248
flat angles C4'-P-C4' energy: -83.086
flat angles P-C4'-P energy: -53.713
tors. eta vs tors. theta energy: 22.737
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: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2078.677247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.677247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.677247 (E_RNA)
where:
Base-Base interactions energy: -1443.737
where: short stacking energy: -577.337
Base-Backbone interact. energy: -5.320
local terms energy: -629.620272
where:
bonds (distance) C4'-P energy: -117.875
bonds (distance) P-C4' energy: -120.241
flat angles C4'-P-C4' energy: -135.141
flat angles P-C4'-P energy: -93.253
tors. eta vs tors. theta energy: -163.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2019.656469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.656469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.656469 (E_RNA)
where:
Base-Base interactions energy: -1394.109
where: short stacking energy: -570.165
Base-Backbone interact. energy: -2.794
local terms energy: -622.753021
where:
bonds (distance) C4'-P energy: -110.307
bonds (distance) P-C4' energy: -119.014
flat angles C4'-P-C4' energy: -134.479
flat angles P-C4'-P energy: -85.867
tors. eta vs tors. theta energy: -173.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1908.315806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.315806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.315806 (E_RNA)
where:
Base-Base interactions energy: -1319.756
where: short stacking energy: -585.672
Base-Backbone interact. energy: -1.641
local terms energy: -586.918404
where:
bonds (distance) C4'-P energy: -103.739
bonds (distance) P-C4' energy: -107.820
flat angles C4'-P-C4' energy: -122.652
flat angles P-C4'-P energy: -78.554
tors. eta vs tors. theta energy: -174.154
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: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1820.329011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.329011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.329011 (E_RNA)
where:
Base-Base interactions energy: -1232.988
where: short stacking energy: -541.874
Base-Backbone interact. energy: -1.147
local terms energy: -586.193829
where:
bonds (distance) C4'-P energy: -99.866
bonds (distance) P-C4' energy: -112.261
flat angles C4'-P-C4' energy: -120.806
flat angles P-C4'-P energy: -91.233
tors. eta vs tors. theta energy: -162.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1619.345562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.345562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.345562 (E_RNA)
where:
Base-Base interactions energy: -1094.556
where: short stacking energy: -462.219
Base-Backbone interact. energy: 2.411
local terms energy: -527.200217
where:
bonds (distance) C4'-P energy: -84.910
bonds (distance) P-C4' energy: -116.745
flat angles C4'-P-C4' energy: -127.464
flat angles P-C4'-P energy: -77.105
tors. eta vs tors. theta energy: -120.976
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: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1565.447010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.447010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.447010 (E_RNA)
where:
Base-Base interactions energy: -1063.891
where: short stacking energy: -456.568
Base-Backbone interact. energy: 0.553
local terms energy: -502.109091
where:
bonds (distance) C4'-P energy: -100.331
bonds (distance) P-C4' energy: -94.896
flat angles C4'-P-C4' energy: -123.344
flat angles P-C4'-P energy: -73.254
tors. eta vs tors. theta energy: -110.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1314.094312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.094312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.094312 (E_RNA)
where:
Base-Base interactions energy: -851.836
where: short stacking energy: -388.378
Base-Backbone interact. energy: -1.572
local terms energy: -460.686329
where:
bonds (distance) C4'-P energy: -89.792
bonds (distance) P-C4' energy: -104.282
flat angles C4'-P-C4' energy: -115.819
flat angles P-C4'-P energy: -66.075
tors. eta vs tors. theta energy: -84.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1060.057264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.057264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.057264 (E_RNA)
where:
Base-Base interactions energy: -630.792
where: short stacking energy: -320.781
Base-Backbone interact. energy: -1.744
local terms energy: -427.520816
where:
bonds (distance) C4'-P energy: -95.616
bonds (distance) P-C4' energy: -103.178
flat angles C4'-P-C4' energy: -94.217
flat angles P-C4'-P energy: -72.908
tors. eta vs tors. theta energy: -61.602
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: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -694.338679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.338679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.338679 (E_RNA)
where:
Base-Base interactions energy: -321.274
where: short stacking energy: -192.754
Base-Backbone interact. energy: 3.259
local terms energy: -376.324016
where:
bonds (distance) C4'-P energy: -101.951
bonds (distance) P-C4' energy: -104.589
flat angles C4'-P-C4' energy: -109.307
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -14.635
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: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -523.456494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.456494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.456494 (E_RNA)
where:
Base-Base interactions energy: -229.064
where: short stacking energy: -142.311
Base-Backbone interact. energy: 0.093
local terms energy: -294.485762
where:
bonds (distance) C4'-P energy: -100.134
bonds (distance) P-C4' energy: -111.272
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -34.472
tors. eta vs tors. theta energy: 23.661
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: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2067.349777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.349777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.349777 (E_RNA)
where:
Base-Base interactions energy: -1445.481
where: short stacking energy: -576.359
Base-Backbone interact. energy: -3.055
local terms energy: -618.813625
where:
bonds (distance) C4'-P energy: -121.966
bonds (distance) P-C4' energy: -108.433
flat angles C4'-P-C4' energy: -131.552
flat angles P-C4'-P energy: -93.393
tors. eta vs tors. theta energy: -163.470
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: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2020.292386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.292386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.292386 (E_RNA)
where:
Base-Base interactions energy: -1388.980
where: short stacking energy: -565.647
Base-Backbone interact. energy: -2.072
local terms energy: -629.240774
where:
bonds (distance) C4'-P energy: -106.658
bonds (distance) P-C4' energy: -117.401
flat angles C4'-P-C4' energy: -125.403
flat angles P-C4'-P energy: -100.091
tors. eta vs tors. theta energy: -179.688
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: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1900.696805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.696805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.696805 (E_RNA)
where:
Base-Base interactions energy: -1305.482
where: short stacking energy: -536.222
Base-Backbone interact. energy: -1.483
local terms energy: -593.731518
where:
bonds (distance) C4'-P energy: -104.299
bonds (distance) P-C4' energy: -108.254
flat angles C4'-P-C4' energy: -128.971
flat angles P-C4'-P energy: -89.869
tors. eta vs tors. theta energy: -162.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1794.551648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.551648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.551648 (E_RNA)
where:
Base-Base interactions energy: -1217.327
where: short stacking energy: -515.823
Base-Backbone interact. energy: 0.052
local terms energy: -577.277521
where:
bonds (distance) C4'-P energy: -114.841
bonds (distance) P-C4' energy: -105.001
flat angles C4'-P-C4' energy: -116.065
flat angles P-C4'-P energy: -80.093
tors. eta vs tors. theta energy: -161.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1639.714033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.714033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.714033 (E_RNA)
where:
Base-Base interactions energy: -1094.707
where: short stacking energy: -485.662
Base-Backbone interact. energy: -0.575
local terms energy: -544.431812
where:
bonds (distance) C4'-P energy: -105.542
bonds (distance) P-C4' energy: -107.927
flat angles C4'-P-C4' energy: -120.384
flat angles P-C4'-P energy: -78.669
tors. eta vs tors. theta energy: -131.910
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: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1555.998340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.998340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.998340 (E_RNA)
where:
Base-Base interactions energy: -1054.272
where: short stacking energy: -432.493
Base-Backbone interact. energy: -0.254
local terms energy: -501.472908
where:
bonds (distance) C4'-P energy: -78.196
bonds (distance) P-C4' energy: -107.552
flat angles C4'-P-C4' energy: -120.107
flat angles P-C4'-P energy: -71.618
tors. eta vs tors. theta energy: -124.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1337.967307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.967307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.967307 (E_RNA)
where:
Base-Base interactions energy: -861.305
where: short stacking energy: -384.177
Base-Backbone interact. energy: -4.728
local terms energy: -471.934098
where:
bonds (distance) C4'-P energy: -100.865
bonds (distance) P-C4' energy: -110.517
flat angles C4'-P-C4' energy: -105.386
flat angles P-C4'-P energy: -66.761
tors. eta vs tors. theta energy: -88.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1020.030775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.030775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.030775 (E_RNA)
where:
Base-Base interactions energy: -599.719
where: short stacking energy: -295.817
Base-Backbone interact. energy: -2.405
local terms energy: -417.906563
where:
bonds (distance) C4'-P energy: -103.013
bonds (distance) P-C4' energy: -116.652
flat angles C4'-P-C4' energy: -103.370
flat angles P-C4'-P energy: -46.996
tors. eta vs tors. theta energy: -47.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -727.383469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.383469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.383469 (E_RNA)
where:
Base-Base interactions energy: -357.492
where: short stacking energy: -198.341
Base-Backbone interact. energy: -2.232
local terms energy: -367.658824
where:
bonds (distance) C4'-P energy: -90.218
bonds (distance) P-C4' energy: -109.492
flat angles C4'-P-C4' energy: -88.819
flat angles P-C4'-P energy: -53.268
tors. eta vs tors. theta energy: -25.863
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: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -481.733490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.733490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.733490 (E_RNA)
where:
Base-Base interactions energy: -182.812
where: short stacking energy: -124.484
Base-Backbone interact. energy: 1.390
local terms energy: -300.311103
where:
bonds (distance) C4'-P energy: -92.819
bonds (distance) P-C4' energy: -113.470
flat angles C4'-P-C4' energy: -66.123
flat angles P-C4'-P energy: -37.857
tors. eta vs tors. theta energy: 9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2078.790370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.790370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.790370 (E_RNA)
where:
Base-Base interactions energy: -1457.122
where: short stacking energy: -581.547
Base-Backbone interact. energy: -1.641
local terms energy: -620.027179
where:
bonds (distance) C4'-P energy: -110.684
bonds (distance) P-C4' energy: -122.961
flat angles C4'-P-C4' energy: -130.114
flat angles P-C4'-P energy: -84.074
tors. eta vs tors. theta energy: -172.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2018.711178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.711178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.711178 (E_RNA)
where:
Base-Base interactions energy: -1390.655
where: short stacking energy: -563.487
Base-Backbone interact. energy: -3.125
local terms energy: -624.931048
where:
bonds (distance) C4'-P energy: -110.916
bonds (distance) P-C4' energy: -121.886
flat angles C4'-P-C4' energy: -125.714
flat angles P-C4'-P energy: -88.857
tors. eta vs tors. theta energy: -177.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1870.917626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.917626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.917626 (E_RNA)
where:
Base-Base interactions energy: -1309.900
where: short stacking energy: -540.217
Base-Backbone interact. energy: -0.662
local terms energy: -560.355788
where:
bonds (distance) C4'-P energy: -95.466
bonds (distance) P-C4' energy: -105.479
flat angles C4'-P-C4' energy: -128.617
flat angles P-C4'-P energy: -71.205
tors. eta vs tors. theta energy: -159.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1803.586657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.586657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.586657 (E_RNA)
where:
Base-Base interactions energy: -1237.874
where: short stacking energy: -522.348
Base-Backbone interact. energy: -1.554
local terms energy: -564.158634
where:
bonds (distance) C4'-P energy: -112.166
bonds (distance) P-C4' energy: -99.789
flat angles C4'-P-C4' energy: -114.022
flat angles P-C4'-P energy: -81.722
tors. eta vs tors. theta energy: -156.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1658.607117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.607117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.607117 (E_RNA)
where:
Base-Base interactions energy: -1117.859
where: short stacking energy: -488.524
Base-Backbone interact. energy: -1.843
local terms energy: -538.905470
where:
bonds (distance) C4'-P energy: -97.797
bonds (distance) P-C4' energy: -98.640
flat angles C4'-P-C4' energy: -126.152
flat angles P-C4'-P energy: -76.501
tors. eta vs tors. theta energy: -139.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1594.265070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.265070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.265070 (E_RNA)
where:
Base-Base interactions energy: -1093.510
where: short stacking energy: -449.485
Base-Backbone interact. energy: -2.907
local terms energy: -497.847278
where:
bonds (distance) C4'-P energy: -103.926
bonds (distance) P-C4' energy: -88.824
flat angles C4'-P-C4' energy: -110.078
flat angles P-C4'-P energy: -59.986
tors. eta vs tors. theta energy: -135.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1279.703553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.703553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.703553 (E_RNA)
where:
Base-Base interactions energy: -819.503
where: short stacking energy: -344.083
Base-Backbone interact. energy: -3.048
local terms energy: -457.153297
where:
bonds (distance) C4'-P energy: -113.174
bonds (distance) P-C4' energy: -98.074
flat angles C4'-P-C4' energy: -106.755
flat angles P-C4'-P energy: -55.468
tors. eta vs tors. theta energy: -83.684
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: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -982.523868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.523868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.523868 (E_RNA)
where:
Base-Base interactions energy: -601.627
where: short stacking energy: -285.742
Base-Backbone interact. energy: -1.736
local terms energy: -379.160835
where:
bonds (distance) C4'-P energy: -90.085
bonds (distance) P-C4' energy: -101.030
flat angles C4'-P-C4' energy: -94.894
flat angles P-C4'-P energy: -51.750
tors. eta vs tors. theta energy: -41.402
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: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -680.635279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.635279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.635279 (E_RNA)
where:
Base-Base interactions energy: -356.510
where: short stacking energy: -202.489
Base-Backbone interact. energy: -0.097
local terms energy: -324.027755
where:
bonds (distance) C4'-P energy: -88.259
bonds (distance) P-C4' energy: -102.581
flat angles C4'-P-C4' energy: -74.203
flat angles P-C4'-P energy: -47.789
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -557.766372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.766372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.766372 (E_RNA)
where:
Base-Base interactions energy: -230.250
where: short stacking energy: -169.561
Base-Backbone interact. energy: 4.529
local terms energy: -332.045211
where:
bonds (distance) C4'-P energy: -95.626
bonds (distance) P-C4' energy: -104.982
flat angles C4'-P-C4' energy: -72.271
flat angles P-C4'-P energy: -56.390
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2091.554865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.554865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.554865 (E_RNA)
where:
Base-Base interactions energy: -1454.728
where: short stacking energy: -602.169
Base-Backbone interact. energy: -2.564
local terms energy: -634.263055
where:
bonds (distance) C4'-P energy: -129.459
bonds (distance) P-C4' energy: -112.914
flat angles C4'-P-C4' energy: -130.205
flat angles P-C4'-P energy: -86.971
tors. eta vs tors. theta energy: -174.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2012.820842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.820842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.820842 (E_RNA)
where:
Base-Base interactions energy: -1406.937
where: short stacking energy: -580.499
Base-Backbone interact. energy: 1.368
local terms energy: -607.251533
where:
bonds (distance) C4'-P energy: -121.261
bonds (distance) P-C4' energy: -106.348
flat angles C4'-P-C4' energy: -114.385
flat angles P-C4'-P energy: -90.978
tors. eta vs tors. theta energy: -174.280
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: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1882.088826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.088826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.088826 (E_RNA)
where:
Base-Base interactions energy: -1290.843
where: short stacking energy: -550.716
Base-Backbone interact. energy: -2.096
local terms energy: -589.149517
where:
bonds (distance) C4'-P energy: -104.435
bonds (distance) P-C4' energy: -113.621
flat angles C4'-P-C4' energy: -129.086
flat angles P-C4'-P energy: -78.242
tors. eta vs tors. theta energy: -163.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1790.201691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.201691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.201691 (E_RNA)
where:
Base-Base interactions energy: -1198.379
where: short stacking energy: -551.101
Base-Backbone interact. energy: 1.131
local terms energy: -592.953939
where:
bonds (distance) C4'-P energy: -107.032
bonds (distance) P-C4' energy: -107.757
flat angles C4'-P-C4' energy: -117.375
flat angles P-C4'-P energy: -86.010
tors. eta vs tors. theta energy: -174.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1666.643941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.643941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.643941 (E_RNA)
where:
Base-Base interactions energy: -1139.984
where: short stacking energy: -508.876
Base-Backbone interact. energy: -1.509
local terms energy: -525.150569
where:
bonds (distance) C4'-P energy: -84.540
bonds (distance) P-C4' energy: -101.387
flat angles C4'-P-C4' energy: -111.311
flat angles P-C4'-P energy: -80.290
tors. eta vs tors. theta energy: -147.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1541.386336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.386336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.386336 (E_RNA)
where:
Base-Base interactions energy: -1028.865
where: short stacking energy: -424.349
Base-Backbone interact. energy: -0.076
local terms energy: -512.445773
where:
bonds (distance) C4'-P energy: -101.270
bonds (distance) P-C4' energy: -115.618
flat angles C4'-P-C4' energy: -115.144
flat angles P-C4'-P energy: -67.110
tors. eta vs tors. theta energy: -113.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1251.347497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.347497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.347497 (E_RNA)
where:
Base-Base interactions energy: -788.710
where: short stacking energy: -354.932
Base-Backbone interact. energy: -2.184
local terms energy: -460.453553
where:
bonds (distance) C4'-P energy: -107.124
bonds (distance) P-C4' energy: -96.024
flat angles C4'-P-C4' energy: -113.344
flat angles P-C4'-P energy: -60.801
tors. eta vs tors. theta energy: -83.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -944.763795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.763795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.763795 (E_RNA)
where:
Base-Base interactions energy: -547.564
where: short stacking energy: -237.067
Base-Backbone interact. energy: 3.267
local terms energy: -400.466826
where:
bonds (distance) C4'-P energy: -103.427
bonds (distance) P-C4' energy: -105.358
flat angles C4'-P-C4' energy: -92.846
flat angles P-C4'-P energy: -61.736
tors. eta vs tors. theta energy: -37.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -659.603702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.603702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.603702 (E_RNA)
where:
Base-Base interactions energy: -332.075
where: short stacking energy: -164.387
Base-Backbone interact. energy: -1.889
local terms energy: -325.639818
where:
bonds (distance) C4'-P energy: -90.593
bonds (distance) P-C4' energy: -94.512
flat angles C4'-P-C4' energy: -92.032
flat angles P-C4'-P energy: -48.840
tors. eta vs tors. theta energy: 0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -552.884254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.884254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.884254 (E_RNA)
where:
Base-Base interactions energy: -247.036
where: short stacking energy: -137.877
Base-Backbone interact. energy: 0.707
local terms energy: -306.554670
where:
bonds (distance) C4'-P energy: -89.930
bonds (distance) P-C4' energy: -87.776
flat angles C4'-P-C4' energy: -86.400
flat angles P-C4'-P energy: -46.342
tors. eta vs tors. theta energy: 3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2094.091987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.091987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.091987 (E_RNA)
where:
Base-Base interactions energy: -1449.744
where: short stacking energy: -600.308
Base-Backbone interact. energy: -1.206
local terms energy: -643.141984
where:
bonds (distance) C4'-P energy: -118.464
bonds (distance) P-C4' energy: -114.155
flat angles C4'-P-C4' energy: -138.416
flat angles P-C4'-P energy: -90.596
tors. eta vs tors. theta energy: -181.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2046.285673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.285673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.285673 (E_RNA)
where:
Base-Base interactions energy: -1414.349
where: short stacking energy: -577.471
Base-Backbone interact. energy: -1.651
local terms energy: -630.286454
where:
bonds (distance) C4'-P energy: -120.498
bonds (distance) P-C4' energy: -122.010
flat angles C4'-P-C4' energy: -127.296
flat angles P-C4'-P energy: -88.484
tors. eta vs tors. theta energy: -171.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1929.019514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.019514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.019514 (E_RNA)
where:
Base-Base interactions energy: -1307.510
where: short stacking energy: -559.425
Base-Backbone interact. energy: -0.208
local terms energy: -621.301157
where:
bonds (distance) C4'-P energy: -120.436
bonds (distance) P-C4' energy: -118.634
flat angles C4'-P-C4' energy: -129.613
flat angles P-C4'-P energy: -84.923
tors. eta vs tors. theta energy: -167.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1814.143456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.143456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.143456 (E_RNA)
where:
Base-Base interactions energy: -1215.380
where: short stacking energy: -543.439
Base-Backbone interact. energy: -0.778
local terms energy: -597.984704
where:
bonds (distance) C4'-P energy: -111.332
bonds (distance) P-C4' energy: -121.546
flat angles C4'-P-C4' energy: -124.553
flat angles P-C4'-P energy: -81.168
tors. eta vs tors. theta energy: -159.386
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: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1645.230504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.230504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.230504 (E_RNA)
where:
Base-Base interactions energy: -1092.219
where: short stacking energy: -476.272
Base-Backbone interact. energy: -1.535
local terms energy: -551.475733
where:
bonds (distance) C4'-P energy: -110.318
bonds (distance) P-C4' energy: -110.504
flat angles C4'-P-C4' energy: -120.470
flat angles P-C4'-P energy: -78.275
tors. eta vs tors. theta energy: -131.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1546.922475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.922475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.922475 (E_RNA)
where:
Base-Base interactions energy: -1038.256
where: short stacking energy: -416.376
Base-Backbone interact. energy: -3.579
local terms energy: -505.087583
where:
bonds (distance) C4'-P energy: -106.042
bonds (distance) P-C4' energy: -103.805
flat angles C4'-P-C4' energy: -112.363
flat angles P-C4'-P energy: -71.437
tors. eta vs tors. theta energy: -111.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1307.421026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.421026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.421026 (E_RNA)
where:
Base-Base interactions energy: -860.869
where: short stacking energy: -375.830
Base-Backbone interact. energy: -1.562
local terms energy: -444.989286
where:
bonds (distance) C4'-P energy: -92.574
bonds (distance) P-C4' energy: -96.149
flat angles C4'-P-C4' energy: -105.760
flat angles P-C4'-P energy: -62.398
tors. eta vs tors. theta energy: -88.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -969.506150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.506150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.506150 (E_RNA)
where:
Base-Base interactions energy: -559.590
where: short stacking energy: -283.391
Base-Backbone interact. energy: -0.029
local terms energy: -409.886660
where:
bonds (distance) C4'-P energy: -86.010
bonds (distance) P-C4' energy: -100.162
flat angles C4'-P-C4' energy: -106.240
flat angles P-C4'-P energy: -54.940
tors. eta vs tors. theta energy: -62.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -672.309319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.309319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.309319 (E_RNA)
where:
Base-Base interactions energy: -330.762
where: short stacking energy: -204.793
Base-Backbone interact. energy: 3.091
local terms energy: -344.638303
where:
bonds (distance) C4'-P energy: -84.642
bonds (distance) P-C4' energy: -113.931
flat angles C4'-P-C4' energy: -86.537
flat angles P-C4'-P energy: -49.455
tors. eta vs tors. theta energy: -10.073
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: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -580.296410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.296410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.296410 (E_RNA)
where:
Base-Base interactions energy: -244.664
where: short stacking energy: -149.234
Base-Backbone interact. energy: 1.491
local terms energy: -337.123825
where:
bonds (distance) C4'-P energy: -98.437
bonds (distance) P-C4' energy: -103.680
flat angles C4'-P-C4' energy: -93.815
flat angles P-C4'-P energy: -58.089
tors. eta vs tors. theta energy: 16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2082.629729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.629729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.629729 (E_RNA)
where:
Base-Base interactions energy: -1436.968
where: short stacking energy: -587.606
Base-Backbone interact. energy: 1.459
local terms energy: -647.120730
where:
bonds (distance) C4'-P energy: -123.183
bonds (distance) P-C4' energy: -122.376
flat angles C4'-P-C4' energy: -129.390
flat angles P-C4'-P energy: -91.110
tors. eta vs tors. theta energy: -181.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1949.908420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.908420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.908420 (E_RNA)
where:
Base-Base interactions energy: -1331.787
where: short stacking energy: -567.688
Base-Backbone interact. energy: -1.776
local terms energy: -616.345679
where:
bonds (distance) C4'-P energy: -120.580
bonds (distance) P-C4' energy: -115.801
flat angles C4'-P-C4' energy: -130.318
flat angles P-C4'-P energy: -83.088
tors. eta vs tors. theta energy: -166.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1977.619115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.619115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.619115 (E_RNA)
where:
Base-Base interactions energy: -1378.242
where: short stacking energy: -566.235
Base-Backbone interact. energy: -5.944
local terms energy: -593.433693
where:
bonds (distance) C4'-P energy: -114.332
bonds (distance) P-C4' energy: -110.516
flat angles C4'-P-C4' energy: -130.420
flat angles P-C4'-P energy: -84.536
tors. eta vs tors. theta energy: -153.629
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: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1797.714792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.714792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.714792 (E_RNA)
where:
Base-Base interactions energy: -1245.239
where: short stacking energy: -535.360
Base-Backbone interact. energy: -0.134
local terms energy: -552.341489
where:
bonds (distance) C4'-P energy: -103.145
bonds (distance) P-C4' energy: -110.231
flat angles C4'-P-C4' energy: -109.615
flat angles P-C4'-P energy: -76.409
tors. eta vs tors. theta energy: -152.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1640.135809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.135809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.135809 (E_RNA)
where:
Base-Base interactions energy: -1116.726
where: short stacking energy: -448.225
Base-Backbone interact. energy: -1.484
local terms energy: -521.925236
where:
bonds (distance) C4'-P energy: -102.492
bonds (distance) P-C4' energy: -120.307
flat angles C4'-P-C4' energy: -105.385
flat angles P-C4'-P energy: -79.498
tors. eta vs tors. theta energy: -114.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1540.036633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.036633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.036633 (E_RNA)
where:
Base-Base interactions energy: -1027.752
where: short stacking energy: -447.082
Base-Backbone interact. energy: -2.146
local terms energy: -510.138923
where:
bonds (distance) C4'-P energy: -95.621
bonds (distance) P-C4' energy: -113.265
flat angles C4'-P-C4' energy: -111.814
flat angles P-C4'-P energy: -70.383
tors. eta vs tors. theta energy: -119.056
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: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1336.197041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.197041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.197041 (E_RNA)
where:
Base-Base interactions energy: -865.943
where: short stacking energy: -390.633
Base-Backbone interact. energy: -1.170
local terms energy: -469.083938
where:
bonds (distance) C4'-P energy: -82.380
bonds (distance) P-C4' energy: -115.498
flat angles C4'-P-C4' energy: -106.081
flat angles P-C4'-P energy: -68.451
tors. eta vs tors. theta energy: -96.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -992.309533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.309533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.309533 (E_RNA)
where:
Base-Base interactions energy: -576.830
where: short stacking energy: -289.838
Base-Backbone interact. energy: -0.987
local terms energy: -414.492430
where:
bonds (distance) C4'-P energy: -106.802
bonds (distance) P-C4' energy: -107.647
flat angles C4'-P-C4' energy: -91.785
flat angles P-C4'-P energy: -66.165
tors. eta vs tors. theta energy: -42.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -692.621433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.621433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.621433 (E_RNA)
where:
Base-Base interactions energy: -355.651
where: short stacking energy: -192.105
Base-Backbone interact. energy: 3.780
local terms energy: -340.750392
where:
bonds (distance) C4'-P energy: -105.171
bonds (distance) P-C4' energy: -84.224
flat angles C4'-P-C4' energy: -70.056
flat angles P-C4'-P energy: -55.595
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -577.178998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.178998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.178998 (E_RNA)
where:
Base-Base interactions energy: -266.628
where: short stacking energy: -147.781
Base-Backbone interact. energy: 1.190
local terms energy: -311.741858
where:
bonds (distance) C4'-P energy: -93.637
bonds (distance) P-C4' energy: -95.897
flat angles C4'-P-C4' energy: -79.575
flat angles P-C4'-P energy: -52.307
tors. eta vs tors. theta energy: 9.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2071.090597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.090597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.090597 (E_RNA)
where:
Base-Base interactions energy: -1452.010
where: short stacking energy: -589.994
Base-Backbone interact. energy: -0.947
local terms energy: -618.133428
where:
bonds (distance) C4'-P energy: -114.405
bonds (distance) P-C4' energy: -99.190
flat angles C4'-P-C4' energy: -139.965
flat angles P-C4'-P energy: -98.684
tors. eta vs tors. theta energy: -165.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1946.128691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.128691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.128691 (E_RNA)
where:
Base-Base interactions energy: -1325.075
where: short stacking energy: -565.532
Base-Backbone interact. energy: 4.453
local terms energy: -625.507121
where:
bonds (distance) C4'-P energy: -110.551
bonds (distance) P-C4' energy: -127.257
flat angles C4'-P-C4' energy: -132.280
flat angles P-C4'-P energy: -86.713
tors. eta vs tors. theta energy: -168.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1976.463170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.463170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.463170 (E_RNA)
where:
Base-Base interactions energy: -1383.797
where: short stacking energy: -548.605
Base-Backbone interact. energy: -3.699
local terms energy: -588.966915
where:
bonds (distance) C4'-P energy: -103.813
bonds (distance) P-C4' energy: -113.718
flat angles C4'-P-C4' energy: -129.254
flat angles P-C4'-P energy: -84.899
tors. eta vs tors. theta energy: -157.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1842.019373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.019373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.019373 (E_RNA)
where:
Base-Base interactions energy: -1265.913
where: short stacking energy: -532.991
Base-Backbone interact. energy: -0.607
local terms energy: -575.499169
where:
bonds (distance) C4'-P energy: -85.151
bonds (distance) P-C4' energy: -120.111
flat angles C4'-P-C4' energy: -130.652
flat angles P-C4'-P energy: -84.738
tors. eta vs tors. theta energy: -154.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1715.805293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.805293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.805293 (E_RNA)
where:
Base-Base interactions energy: -1154.236
where: short stacking energy: -484.535
Base-Backbone interact. energy: -1.949
local terms energy: -559.620219
where:
bonds (distance) C4'-P energy: -111.327
bonds (distance) P-C4' energy: -113.868
flat angles C4'-P-C4' energy: -120.456
flat angles P-C4'-P energy: -71.571
tors. eta vs tors. theta energy: -142.398
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: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1561.929429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.929429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.929429 (E_RNA)
where:
Base-Base interactions energy: -1060.193
where: short stacking energy: -438.647
Base-Backbone interact. energy: -2.584
local terms energy: -499.152172
where:
bonds (distance) C4'-P energy: -88.558
bonds (distance) P-C4' energy: -106.416
flat angles C4'-P-C4' energy: -113.600
flat angles P-C4'-P energy: -70.679
tors. eta vs tors. theta energy: -119.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1309.619296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.619296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.619296 (E_RNA)
where:
Base-Base interactions energy: -845.068
where: short stacking energy: -378.497
Base-Backbone interact. energy: -3.548
local terms energy: -461.003567
where:
bonds (distance) C4'-P energy: -100.758
bonds (distance) P-C4' energy: -101.913
flat angles C4'-P-C4' energy: -107.669
flat angles P-C4'-P energy: -54.985
tors. eta vs tors. theta energy: -95.678
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: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1029.373215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.373215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.373215 (E_RNA)
where:
Base-Base interactions energy: -636.011
where: short stacking energy: -296.153
Base-Backbone interact. energy: -2.770
local terms energy: -390.592564
where:
bonds (distance) C4'-P energy: -85.446
bonds (distance) P-C4' energy: -88.095
flat angles C4'-P-C4' energy: -103.892
flat angles P-C4'-P energy: -60.168
tors. eta vs tors. theta energy: -52.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -683.884523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.884523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.884523 (E_RNA)
where:
Base-Base interactions energy: -314.123
where: short stacking energy: -213.104
Base-Backbone interact. energy: -2.281
local terms energy: -367.480516
where:
bonds (distance) C4'-P energy: -96.982
bonds (distance) P-C4' energy: -98.759
flat angles C4'-P-C4' energy: -92.790
flat angles P-C4'-P energy: -61.312
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -556.988085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.988085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.988085 (E_RNA)
where:
Base-Base interactions energy: -258.791
where: short stacking energy: -174.775
Base-Backbone interact. energy: 8.119
local terms energy: -306.316686
where:
bonds (distance) C4'-P energy: -101.270
bonds (distance) P-C4' energy: -98.924
flat angles C4'-P-C4' energy: -79.327
flat angles P-C4'-P energy: -36.612
tors. eta vs tors. theta energy: 9.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2085.919344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.919344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.919344 (E_RNA)
where:
Base-Base interactions energy: -1474.695
where: short stacking energy: -602.011
Base-Backbone interact. energy: -2.973
local terms energy: -608.251445
where:
bonds (distance) C4'-P energy: -103.823
bonds (distance) P-C4' energy: -113.798
flat angles C4'-P-C4' energy: -124.495
flat angles P-C4'-P energy: -80.161
tors. eta vs tors. theta energy: -185.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2006.335506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.335506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.335506 (E_RNA)
where:
Base-Base interactions energy: -1380.950
where: short stacking energy: -578.975
Base-Backbone interact. energy: -3.347
local terms energy: -622.038116
where:
bonds (distance) C4'-P energy: -108.692
bonds (distance) P-C4' energy: -119.870
flat angles C4'-P-C4' energy: -149.840
flat angles P-C4'-P energy: -84.813
tors. eta vs tors. theta energy: -158.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1917.813766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.813766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.813766 (E_RNA)
where:
Base-Base interactions energy: -1328.443
where: short stacking energy: -555.263
Base-Backbone interact. energy: -3.232
local terms energy: -586.138807
where:
bonds (distance) C4'-P energy: -115.068
bonds (distance) P-C4' energy: -102.472
flat angles C4'-P-C4' energy: -140.602
flat angles P-C4'-P energy: -72.960
tors. eta vs tors. theta energy: -155.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1771.248566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.248566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.248566 (E_RNA)
where:
Base-Base interactions energy: -1192.109
where: short stacking energy: -516.402
Base-Backbone interact. energy: -1.161
local terms energy: -577.979213
where:
bonds (distance) C4'-P energy: -111.764
bonds (distance) P-C4' energy: -105.741
flat angles C4'-P-C4' energy: -139.681
flat angles P-C4'-P energy: -76.549
tors. eta vs tors. theta energy: -144.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1786.566403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.566403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.566403 (E_RNA)
where:
Base-Base interactions energy: -1228.908
where: short stacking energy: -513.947
Base-Backbone interact. energy: -2.443
local terms energy: -555.215763
where:
bonds (distance) C4'-P energy: -98.773
bonds (distance) P-C4' energy: -98.197
flat angles C4'-P-C4' energy: -123.798
flat angles P-C4'-P energy: -83.932
tors. eta vs tors. theta energy: -150.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1525.436209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.436209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.436209 (E_RNA)
where:
Base-Base interactions energy: -1059.532
where: short stacking energy: -441.942
Base-Backbone interact. energy: 0.486
local terms energy: -466.390390
where:
bonds (distance) C4'-P energy: -99.789
bonds (distance) P-C4' energy: -102.014
flat angles C4'-P-C4' energy: -92.495
flat angles P-C4'-P energy: -73.067
tors. eta vs tors. theta energy: -99.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1327.242476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.242476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.242476 (E_RNA)
where:
Base-Base interactions energy: -872.039
where: short stacking energy: -381.936
Base-Backbone interact. energy: -2.478
local terms energy: -452.724526
where:
bonds (distance) C4'-P energy: -94.171
bonds (distance) P-C4' energy: -100.225
flat angles C4'-P-C4' energy: -107.424
flat angles P-C4'-P energy: -57.040
tors. eta vs tors. theta energy: -93.865
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: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -941.040843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.040843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.040843 (E_RNA)
where:
Base-Base interactions energy: -553.066
where: short stacking energy: -256.534
Base-Backbone interact. energy: -0.898
local terms energy: -387.076744
where:
bonds (distance) C4'-P energy: -79.459
bonds (distance) P-C4' energy: -96.527
flat angles C4'-P-C4' energy: -106.750
flat angles P-C4'-P energy: -68.701
tors. eta vs tors. theta energy: -35.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -700.930409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.930409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.930409 (E_RNA)
where:
Base-Base interactions energy: -355.649
where: short stacking energy: -176.505
Base-Backbone interact. energy: 1.155
local terms energy: -346.436509
where:
bonds (distance) C4'-P energy: -95.017
bonds (distance) P-C4' energy: -102.126
flat angles C4'-P-C4' energy: -92.092
flat angles P-C4'-P energy: -42.812
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -541.645965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.645965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.645965 (E_RNA)
where:
Base-Base interactions energy: -242.053
where: short stacking energy: -163.690
Base-Backbone interact. energy: 0.437
local terms energy: -300.029476
where:
bonds (distance) C4'-P energy: -82.247
bonds (distance) P-C4' energy: -96.627
flat angles C4'-P-C4' energy: -84.845
flat angles P-C4'-P energy: -30.501
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2069.565792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.565792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.565792 (E_RNA)
where:
Base-Base interactions energy: -1458.589
where: short stacking energy: -595.453
Base-Backbone interact. energy: 3.003
local terms energy: -613.979716
where:
bonds (distance) C4'-P energy: -109.638
bonds (distance) P-C4' energy: -109.689
flat angles C4'-P-C4' energy: -134.385
flat angles P-C4'-P energy: -83.609
tors. eta vs tors. theta energy: -176.659
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: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2022.409125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.409125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.409125 (E_RNA)
where:
Base-Base interactions energy: -1399.109
where: short stacking energy: -576.345
Base-Backbone interact. energy: -0.398
local terms energy: -622.901691
where:
bonds (distance) C4'-P energy: -120.795
bonds (distance) P-C4' energy: -107.565
flat angles C4'-P-C4' energy: -137.055
flat angles P-C4'-P energy: -87.233
tors. eta vs tors. theta energy: -170.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1912.434095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.434095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.434095 (E_RNA)
where:
Base-Base interactions energy: -1318.093
where: short stacking energy: -553.841
Base-Backbone interact. energy: -2.054
local terms energy: -592.287113
where:
bonds (distance) C4'-P energy: -104.667
bonds (distance) P-C4' energy: -105.920
flat angles C4'-P-C4' energy: -130.010
flat angles P-C4'-P energy: -91.653
tors. eta vs tors. theta energy: -160.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1772.232094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.232094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.232094 (E_RNA)
where:
Base-Base interactions energy: -1210.695
where: short stacking energy: -525.229
Base-Backbone interact. energy: -1.859
local terms energy: -559.678397
where:
bonds (distance) C4'-P energy: -99.062
bonds (distance) P-C4' energy: -100.924
flat angles C4'-P-C4' energy: -140.022
flat angles P-C4'-P energy: -81.769
tors. eta vs tors. theta energy: -137.901
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: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1815.713602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.713602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.713602 (E_RNA)
where:
Base-Base interactions energy: -1256.956
where: short stacking energy: -554.092
Base-Backbone interact. energy: 0.439
local terms energy: -559.195898
where:
bonds (distance) C4'-P energy: -89.342
bonds (distance) P-C4' energy: -100.784
flat angles C4'-P-C4' energy: -125.183
flat angles P-C4'-P energy: -78.185
tors. eta vs tors. theta energy: -165.703
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: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1628.708787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.708787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.708787 (E_RNA)
where:
Base-Base interactions energy: -1118.871
where: short stacking energy: -464.835
Base-Backbone interact. energy: -3.479
local terms energy: -506.358356
where:
bonds (distance) C4'-P energy: -96.736
bonds (distance) P-C4' energy: -92.612
flat angles C4'-P-C4' energy: -118.414
flat angles P-C4'-P energy: -76.467
tors. eta vs tors. theta energy: -122.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1352.125665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.125665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.125665 (E_RNA)
where:
Base-Base interactions energy: -879.383
where: short stacking energy: -383.925
Base-Backbone interact. energy: 0.852
local terms energy: -473.594395
where:
bonds (distance) C4'-P energy: -93.278
bonds (distance) P-C4' energy: -101.624
flat angles C4'-P-C4' energy: -117.708
flat angles P-C4'-P energy: -55.234
tors. eta vs tors. theta energy: -105.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -952.583902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.583902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.583902 (E_RNA)
where:
Base-Base interactions energy: -578.212
where: short stacking energy: -276.733
Base-Backbone interact. energy: 1.092
local terms energy: -375.464150
where:
bonds (distance) C4'-P energy: -95.594
bonds (distance) P-C4' energy: -91.719
flat angles C4'-P-C4' energy: -100.025
flat angles P-C4'-P energy: -54.102
tors. eta vs tors. theta energy: -34.023
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: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -714.104966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.104966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.104966 (E_RNA)
where:
Base-Base interactions energy: -362.396
where: short stacking energy: -207.605
Base-Backbone interact. energy: -2.527
local terms energy: -349.182022
where:
bonds (distance) C4'-P energy: -87.154
bonds (distance) P-C4' energy: -109.494
flat angles C4'-P-C4' energy: -103.417
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -557.318898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.318898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.318898 (E_RNA)
where:
Base-Base interactions energy: -230.317
where: short stacking energy: -135.464
Base-Backbone interact. energy: -1.002
local terms energy: -326.000486
where:
bonds (distance) C4'-P energy: -86.051
bonds (distance) P-C4' energy: -98.919
flat angles C4'-P-C4' energy: -76.947
flat angles P-C4'-P energy: -73.137
tors. eta vs tors. theta energy: 9.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2101.380263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.380263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.380263 (E_RNA)
where:
Base-Base interactions energy: -1473.767
where: short stacking energy: -600.993
Base-Backbone interact. energy: -4.704
local terms energy: -622.909979
where:
bonds (distance) C4'-P energy: -115.569
bonds (distance) P-C4' energy: -113.645
flat angles C4'-P-C4' energy: -135.473
flat angles P-C4'-P energy: -79.736
tors. eta vs tors. theta energy: -178.486
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: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2007.351870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.351870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.351870 (E_RNA)
where:
Base-Base interactions energy: -1384.067
where: short stacking energy: -564.537
Base-Backbone interact. energy: 2.000
local terms energy: -625.284935
where:
bonds (distance) C4'-P energy: -105.867
bonds (distance) P-C4' energy: -116.781
flat angles C4'-P-C4' energy: -131.274
flat angles P-C4'-P energy: -94.753
tors. eta vs tors. theta energy: -176.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1882.464898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.464898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.464898 (E_RNA)
where:
Base-Base interactions energy: -1283.539
where: short stacking energy: -546.395
Base-Backbone interact. energy: -0.604
local terms energy: -598.321569
where:
bonds (distance) C4'-P energy: -120.719
bonds (distance) P-C4' energy: -117.550
flat angles C4'-P-C4' energy: -126.199
flat angles P-C4'-P energy: -80.061
tors. eta vs tors. theta energy: -153.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1817.075404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.075404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.075404 (E_RNA)
where:
Base-Base interactions energy: -1211.294
where: short stacking energy: -514.785
Base-Backbone interact. energy: -1.498
local terms energy: -604.283265
where:
bonds (distance) C4'-P energy: -117.001
bonds (distance) P-C4' energy: -106.205
flat angles C4'-P-C4' energy: -129.635
flat angles P-C4'-P energy: -81.606
tors. eta vs tors. theta energy: -169.836
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: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1745.593182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.593182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.593182 (E_RNA)
where:
Base-Base interactions energy: -1194.515
where: short stacking energy: -509.347
Base-Backbone interact. energy: -1.202
local terms energy: -549.877026
where:
bonds (distance) C4'-P energy: -96.214
bonds (distance) P-C4' energy: -109.431
flat angles C4'-P-C4' energy: -123.691
flat angles P-C4'-P energy: -73.897
tors. eta vs tors. theta energy: -146.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1585.858046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.858046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.858046 (E_RNA)
where:
Base-Base interactions energy: -1092.727
where: short stacking energy: -436.049
Base-Backbone interact. energy: 5.079
local terms energy: -498.209578
where:
bonds (distance) C4'-P energy: -106.293
bonds (distance) P-C4' energy: -88.796
flat angles C4'-P-C4' energy: -117.208
flat angles P-C4'-P energy: -70.128
tors. eta vs tors. theta energy: -115.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1242.008937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.008937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.008937 (E_RNA)
where:
Base-Base interactions energy: -796.856
where: short stacking energy: -365.407
Base-Backbone interact. energy: -3.725
local terms energy: -441.427689
where:
bonds (distance) C4'-P energy: -88.330
bonds (distance) P-C4' energy: -104.792
flat angles C4'-P-C4' energy: -107.460
flat angles P-C4'-P energy: -56.850
tors. eta vs tors. theta energy: -83.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -938.751903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.751903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.751903 (E_RNA)
where:
Base-Base interactions energy: -554.562
where: short stacking energy: -265.213
Base-Backbone interact. energy: 2.083
local terms energy: -386.272654
where:
bonds (distance) C4'-P energy: -105.930
bonds (distance) P-C4' energy: -103.743
flat angles C4'-P-C4' energy: -89.939
flat angles P-C4'-P energy: -45.533
tors. eta vs tors. theta energy: -41.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -687.741537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.741537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.741537 (E_RNA)
where:
Base-Base interactions energy: -360.755
where: short stacking energy: -204.453
Base-Backbone interact. energy: 1.612
local terms energy: -328.598133
where:
bonds (distance) C4'-P energy: -76.290
bonds (distance) P-C4' energy: -84.015
flat angles C4'-P-C4' energy: -102.602
flat angles P-C4'-P energy: -64.618
tors. eta vs tors. theta energy: -1.073
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: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -522.494455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.494455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.494455 (E_RNA)
where:
Base-Base interactions energy: -202.488
where: short stacking energy: -119.350
Base-Backbone interact. energy: 6.472
local terms energy: -326.478578
where:
bonds (distance) C4'-P energy: -83.195
bonds (distance) P-C4' energy: -113.264
flat angles C4'-P-C4' energy: -85.709
flat angles P-C4'-P energy: -48.009
tors. eta vs tors. theta energy: 3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2082.318108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.318108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.318108 (E_RNA)
where:
Base-Base interactions energy: -1456.238
where: short stacking energy: -581.944
Base-Backbone interact. energy: -4.823
local terms energy: -621.257921
where:
bonds (distance) C4'-P energy: -114.164
bonds (distance) P-C4' energy: -122.874
flat angles C4'-P-C4' energy: -129.712
flat angles P-C4'-P energy: -87.809
tors. eta vs tors. theta energy: -166.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2015.982817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.982817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.982817 (E_RNA)
where:
Base-Base interactions energy: -1377.496
where: short stacking energy: -557.973
Base-Backbone interact. energy: -2.163
local terms energy: -636.323860
where:
bonds (distance) C4'-P energy: -125.336
bonds (distance) P-C4' energy: -122.698
flat angles C4'-P-C4' energy: -127.087
flat angles P-C4'-P energy: -90.476
tors. eta vs tors. theta energy: -170.727
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: 400
Temperature: 1.000000
Total energy: -1879.140113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.140113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.140113 (E_RNA)
where:
Base-Base interactions energy: -1283.241
where: short stacking energy: -520.555
Base-Backbone interact. energy: -3.064
local terms energy: -592.834379
where:
bonds (distance) C4'-P energy: -119.169
bonds (distance) P-C4' energy: -117.204
flat angles C4'-P-C4' energy: -129.671
flat angles P-C4'-P energy: -73.298
tors. eta vs tors. theta energy: -153.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1796.657732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.657732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.657732 (E_RNA)
where:
Base-Base interactions energy: -1207.848
where: short stacking energy: -545.309
Base-Backbone interact. energy: -0.940
local terms energy: -587.870375
where:
bonds (distance) C4'-P energy: -108.915
bonds (distance) P-C4' energy: -111.160
flat angles C4'-P-C4' energy: -118.175
flat angles P-C4'-P energy: -83.409
tors. eta vs tors. theta energy: -166.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1727.783149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.783149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.783149 (E_RNA)
where:
Base-Base interactions energy: -1195.850
where: short stacking energy: -518.156
Base-Backbone interact. energy: -0.092
local terms energy: -531.841215
where:
bonds (distance) C4'-P energy: -112.535
bonds (distance) P-C4' energy: -98.637
flat angles C4'-P-C4' energy: -112.407
flat angles P-C4'-P energy: -71.495
tors. eta vs tors. theta energy: -136.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1594.128162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.128162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.128162 (E_RNA)
where:
Base-Base interactions energy: -1100.869
where: short stacking energy: -434.979
Base-Backbone interact. energy: 0.017
local terms energy: -493.275829
where:
bonds (distance) C4'-P energy: -101.354
bonds (distance) P-C4' energy: -100.833
flat angles C4'-P-C4' energy: -97.355
flat angles P-C4'-P energy: -73.908
tors. eta vs tors. theta energy: -119.826
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: 400
Temperature: 1.200000
Total energy: -1274.781957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.781957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.781957 (E_RNA)
where:
Base-Base interactions energy: -818.386
where: short stacking energy: -367.505
Base-Backbone interact. energy: 0.095
local terms energy: -456.490858
where:
bonds (distance) C4'-P energy: -89.835
bonds (distance) P-C4' energy: -91.834
flat angles C4'-P-C4' energy: -114.056
flat angles P-C4'-P energy: -74.477
tors. eta vs tors. theta energy: -86.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -991.016883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.016883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.016883 (E_RNA)
where:
Base-Base interactions energy: -585.067
where: short stacking energy: -288.408
Base-Backbone interact. energy: 0.757
local terms energy: -406.706328
where:
bonds (distance) C4'-P energy: -94.909
bonds (distance) P-C4' energy: -94.890
flat angles C4'-P-C4' energy: -109.552
flat angles P-C4'-P energy: -52.420
tors. eta vs tors. theta energy: -54.935
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: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -699.846764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.846764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.846764 (E_RNA)
where:
Base-Base interactions energy: -314.543
where: short stacking energy: -181.266
Base-Backbone interact. energy: -1.576
local terms energy: -383.727891
where:
bonds (distance) C4'-P energy: -105.204
bonds (distance) P-C4' energy: -112.898
flat angles C4'-P-C4' energy: -89.991
flat angles P-C4'-P energy: -64.578
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -529.224163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.224163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.224163 (E_RNA)
where:
Base-Base interactions energy: -205.530
where: short stacking energy: -134.994
Base-Backbone interact. energy: 0.687
local terms energy: -324.381180
where:
bonds (distance) C4'-P energy: -81.268
bonds (distance) P-C4' energy: -102.554
flat angles C4'-P-C4' energy: -89.888
flat angles P-C4'-P energy: -51.424
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2079.896154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.896154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.896154 (E_RNA)
where:
Base-Base interactions energy: -1454.800
where: short stacking energy: -596.937
Base-Backbone interact. energy: -0.237
local terms energy: -624.859759
where:
bonds (distance) C4'-P energy: -121.338
bonds (distance) P-C4' energy: -116.964
flat angles C4'-P-C4' energy: -125.837
flat angles P-C4'-P energy: -85.288
tors. eta vs tors. theta energy: -175.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1995.411860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.411860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.411860 (E_RNA)
where:
Base-Base interactions energy: -1395.365
where: short stacking energy: -578.232
Base-Backbone interact. energy: -3.252
local terms energy: -596.794986
where:
bonds (distance) C4'-P energy: -96.458
bonds (distance) P-C4' energy: -109.347
flat angles C4'-P-C4' energy: -136.846
flat angles P-C4'-P energy: -87.928
tors. eta vs tors. theta energy: -166.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1942.469936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.469936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.469936 (E_RNA)
where:
Base-Base interactions energy: -1350.603
where: short stacking energy: -566.342
Base-Backbone interact. energy: 0.568
local terms energy: -592.434194
where:
bonds (distance) C4'-P energy: -122.562
bonds (distance) P-C4' energy: -111.779
flat angles C4'-P-C4' energy: -128.667
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -163.445
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: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1759.293277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.293277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.293277 (E_RNA)
where:
Base-Base interactions energy: -1202.283
where: short stacking energy: -503.638
Base-Backbone interact. energy: 1.172
local terms energy: -558.182787
where:
bonds (distance) C4'-P energy: -102.618
bonds (distance) P-C4' energy: -119.988
flat angles C4'-P-C4' energy: -123.249
flat angles P-C4'-P energy: -70.302
tors. eta vs tors. theta energy: -142.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1717.636655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.636655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.636655 (E_RNA)
where:
Base-Base interactions energy: -1175.108
where: short stacking energy: -527.901
Base-Backbone interact. energy: -1.252
local terms energy: -541.276498
where:
bonds (distance) C4'-P energy: -85.439
bonds (distance) P-C4' energy: -106.840
flat angles C4'-P-C4' energy: -121.144
flat angles P-C4'-P energy: -73.536
tors. eta vs tors. theta energy: -154.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1600.288230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.288230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.288230 (E_RNA)
where:
Base-Base interactions energy: -1076.944
where: short stacking energy: -451.665
Base-Backbone interact. energy: -0.856
local terms energy: -522.488398
where:
bonds (distance) C4'-P energy: -91.352
bonds (distance) P-C4' energy: -110.876
flat angles C4'-P-C4' energy: -123.221
flat angles P-C4'-P energy: -76.043
tors. eta vs tors. theta energy: -120.996
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: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1275.679011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.679011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.679011 (E_RNA)
where:
Base-Base interactions energy: -818.322
where: short stacking energy: -375.453
Base-Backbone interact. energy: -1.434
local terms energy: -455.923296
where:
bonds (distance) C4'-P energy: -89.189
bonds (distance) P-C4' energy: -98.251
flat angles C4'-P-C4' energy: -110.598
flat angles P-C4'-P energy: -79.699
tors. eta vs tors. theta energy: -78.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -935.513344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.513344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.513344 (E_RNA)
where:
Base-Base interactions energy: -558.530
where: short stacking energy: -289.892
Base-Backbone interact. energy: 3.714
local terms energy: -380.697549
where:
bonds (distance) C4'-P energy: -85.362
bonds (distance) P-C4' energy: -88.490
flat angles C4'-P-C4' energy: -91.825
flat angles P-C4'-P energy: -61.159
tors. eta vs tors. theta energy: -53.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -727.569641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.569641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.569641 (E_RNA)
where:
Base-Base interactions energy: -379.012
where: short stacking energy: -197.066
Base-Backbone interact. energy: 4.203
local terms energy: -352.760590
where:
bonds (distance) C4'-P energy: -81.420
bonds (distance) P-C4' energy: -100.033
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -60.746
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -589.873455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.873455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.873455 (E_RNA)
where:
Base-Base interactions energy: -264.626
where: short stacking energy: -172.202
Base-Backbone interact. energy: 1.304
local terms energy: -326.551428
where:
bonds (distance) C4'-P energy: -83.771
bonds (distance) P-C4' energy: -104.620
flat angles C4'-P-C4' energy: -79.599
flat angles P-C4'-P energy: -49.114
tors. eta vs tors. theta energy: -9.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2091.849966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.849966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.849966 (E_RNA)
where:
Base-Base interactions energy: -1453.381
where: short stacking energy: -593.580
Base-Backbone interact. energy: -0.204
local terms energy: -638.265776
where:
bonds (distance) C4'-P energy: -116.188
bonds (distance) P-C4' energy: -117.506
flat angles C4'-P-C4' energy: -138.131
flat angles P-C4'-P energy: -86.680
tors. eta vs tors. theta energy: -179.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2032.756007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.756007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.756007 (E_RNA)
where:
Base-Base interactions energy: -1437.666
where: short stacking energy: -577.551
Base-Backbone interact. energy: 1.189
local terms energy: -596.279480
where:
bonds (distance) C4'-P energy: -114.366
bonds (distance) P-C4' energy: -112.244
flat angles C4'-P-C4' energy: -125.849
flat angles P-C4'-P energy: -77.210
tors. eta vs tors. theta energy: -166.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1950.434397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.434397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.434397 (E_RNA)
where:
Base-Base interactions energy: -1354.788
where: short stacking energy: -563.200
Base-Backbone interact. energy: -2.216
local terms energy: -593.430003
where:
bonds (distance) C4'-P energy: -107.086
bonds (distance) P-C4' energy: -111.973
flat angles C4'-P-C4' energy: -128.356
flat angles P-C4'-P energy: -81.081
tors. eta vs tors. theta energy: -164.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1789.732638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.732638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.732638 (E_RNA)
where:
Base-Base interactions energy: -1190.660
where: short stacking energy: -506.118
Base-Backbone interact. energy: -0.453
local terms energy: -598.618958
where:
bonds (distance) C4'-P energy: -124.909
bonds (distance) P-C4' energy: -112.857
flat angles C4'-P-C4' energy: -134.451
flat angles P-C4'-P energy: -85.267
tors. eta vs tors. theta energy: -141.134
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: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1668.672248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.672248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.672248 (E_RNA)
where:
Base-Base interactions energy: -1102.566
where: short stacking energy: -487.102
Base-Backbone interact. energy: -1.265
local terms energy: -564.841021
where:
bonds (distance) C4'-P energy: -105.182
bonds (distance) P-C4' energy: -109.876
flat angles C4'-P-C4' energy: -114.864
flat angles P-C4'-P energy: -80.290
tors. eta vs tors. theta energy: -154.629
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: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1606.747410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.747410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.747410 (E_RNA)
where:
Base-Base interactions energy: -1082.720
where: short stacking energy: -453.775
Base-Backbone interact. energy: -2.040
local terms energy: -521.987521
where:
bonds (distance) C4'-P energy: -98.026
bonds (distance) P-C4' energy: -99.602
flat angles C4'-P-C4' energy: -115.565
flat angles P-C4'-P energy: -83.133
tors. eta vs tors. theta energy: -125.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1288.224194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.224194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.224194 (E_RNA)
where:
Base-Base interactions energy: -818.634
where: short stacking energy: -385.317
Base-Backbone interact. energy: -0.821
local terms energy: -468.769729
where:
bonds (distance) C4'-P energy: -97.977
bonds (distance) P-C4' energy: -99.753
flat angles C4'-P-C4' energy: -108.011
flat angles P-C4'-P energy: -66.941
tors. eta vs tors. theta energy: -96.088
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: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -968.412836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.412836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.412836 (E_RNA)
where:
Base-Base interactions energy: -565.412
where: short stacking energy: -274.040
Base-Backbone interact. energy: -0.759
local terms energy: -402.241740
where:
bonds (distance) C4'-P energy: -92.325
bonds (distance) P-C4' energy: -103.188
flat angles C4'-P-C4' energy: -83.438
flat angles P-C4'-P energy: -68.205
tors. eta vs tors. theta energy: -55.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -614.001083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.001083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.001083 (E_RNA)
where:
Base-Base interactions energy: -282.349
where: short stacking energy: -162.521
Base-Backbone interact. energy: -1.662
local terms energy: -329.990721
where:
bonds (distance) C4'-P energy: -101.005
bonds (distance) P-C4' energy: -102.039
flat angles C4'-P-C4' energy: -91.001
flat angles P-C4'-P energy: -39.613
tors. eta vs tors. theta energy: 3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -702.536834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.536834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.536834 (E_RNA)
where:
Base-Base interactions energy: -376.192
where: short stacking energy: -210.340
Base-Backbone interact. energy: 2.845
local terms energy: -329.190409
where:
bonds (distance) C4'-P energy: -84.376
bonds (distance) P-C4' energy: -101.800
flat angles C4'-P-C4' energy: -80.098
flat angles P-C4'-P energy: -55.001
tors. eta vs tors. theta energy: -7.915
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: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2083.263551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.263551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.263551 (E_RNA)
where:
Base-Base interactions energy: -1447.348
where: short stacking energy: -601.007
Base-Backbone interact. energy: -0.450
local terms energy: -635.465697
where:
bonds (distance) C4'-P energy: -109.217
bonds (distance) P-C4' energy: -122.760
flat angles C4'-P-C4' energy: -127.713
flat angles P-C4'-P energy: -98.956
tors. eta vs tors. theta energy: -176.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2008.443812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.443812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.443812 (E_RNA)
where:
Base-Base interactions energy: -1414.948
where: short stacking energy: -560.284
Base-Backbone interact. energy: -4.239
local terms energy: -589.256800
where:
bonds (distance) C4'-P energy: -102.926
bonds (distance) P-C4' energy: -123.559
flat angles C4'-P-C4' energy: -128.429
flat angles P-C4'-P energy: -63.653
tors. eta vs tors. theta energy: -170.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1949.102172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.102172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.102172 (E_RNA)
where:
Base-Base interactions energy: -1356.269
where: short stacking energy: -567.116
Base-Backbone interact. energy: -3.149
local terms energy: -589.683482
where:
bonds (distance) C4'-P energy: -99.642
bonds (distance) P-C4' energy: -102.263
flat angles C4'-P-C4' energy: -140.594
flat angles P-C4'-P energy: -82.360
tors. eta vs tors. theta energy: -164.825
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: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1736.190955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.190955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.190955 (E_RNA)
where:
Base-Base interactions energy: -1156.905
where: short stacking energy: -523.634
Base-Backbone interact. energy: 2.276
local terms energy: -581.562019
where:
bonds (distance) C4'-P energy: -112.097
bonds (distance) P-C4' energy: -115.113
flat angles C4'-P-C4' energy: -131.875
flat angles P-C4'-P energy: -73.517
tors. eta vs tors. theta energy: -148.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1662.706226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.706226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.706226 (E_RNA)
where:
Base-Base interactions energy: -1126.482
where: short stacking energy: -477.050
Base-Backbone interact. energy: -3.545
local terms energy: -532.678852
where:
bonds (distance) C4'-P energy: -98.569
bonds (distance) P-C4' energy: -111.102
flat angles C4'-P-C4' energy: -117.674
flat angles P-C4'-P energy: -78.079
tors. eta vs tors. theta energy: -127.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1608.294909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.294909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.294909 (E_RNA)
where:
Base-Base interactions energy: -1087.061
where: short stacking energy: -433.729
Base-Backbone interact. energy: -1.258
local terms energy: -519.976040
where:
bonds (distance) C4'-P energy: -100.277
bonds (distance) P-C4' energy: -128.832
flat angles C4'-P-C4' energy: -109.150
flat angles P-C4'-P energy: -56.718
tors. eta vs tors. theta energy: -124.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1296.968302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.968302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.968302 (E_RNA)
where:
Base-Base interactions energy: -837.098
where: short stacking energy: -356.290
Base-Backbone interact. energy: 2.597
local terms energy: -462.467087
where:
bonds (distance) C4'-P energy: -102.853
bonds (distance) P-C4' energy: -110.832
flat angles C4'-P-C4' energy: -98.708
flat angles P-C4'-P energy: -63.920
tors. eta vs tors. theta energy: -86.154
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: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -907.069524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.069524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.069524 (E_RNA)
where:
Base-Base interactions energy: -513.467
where: short stacking energy: -260.917
Base-Backbone interact. energy: 1.070
local terms energy: -394.672086
where:
bonds (distance) C4'-P energy: -106.702
bonds (distance) P-C4' energy: -110.503
flat angles C4'-P-C4' energy: -92.984
flat angles P-C4'-P energy: -50.385
tors. eta vs tors. theta energy: -34.099
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: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -650.264286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.264286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.264286 (E_RNA)
where:
Base-Base interactions energy: -305.036
where: short stacking energy: -172.004
Base-Backbone interact. energy: -0.051
local terms energy: -345.176778
where:
bonds (distance) C4'-P energy: -92.692
bonds (distance) P-C4' energy: -107.058
flat angles C4'-P-C4' energy: -96.744
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -695.879172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.879172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.879172 (E_RNA)
where:
Base-Base interactions energy: -352.132
where: short stacking energy: -198.302
Base-Backbone interact. energy: 0.678
local terms energy: -344.425269
where:
bonds (distance) C4'-P energy: -110.610
bonds (distance) P-C4' energy: -106.187
flat angles C4'-P-C4' energy: -60.017
flat angles P-C4'-P energy: -52.580
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2065.595388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.595388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.595388 (E_RNA)
where:
Base-Base interactions energy: -1436.311
where: short stacking energy: -587.308
Base-Backbone interact. energy: -3.531
local terms energy: -625.753809
where:
bonds (distance) C4'-P energy: -113.140
bonds (distance) P-C4' energy: -119.569
flat angles C4'-P-C4' energy: -124.613
flat angles P-C4'-P energy: -91.313
tors. eta vs tors. theta energy: -177.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2004.747055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.747055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.747055 (E_RNA)
where:
Base-Base interactions energy: -1413.155
where: short stacking energy: -588.721
Base-Backbone interact. energy: 0.603
local terms energy: -592.194888
where:
bonds (distance) C4'-P energy: -100.046
bonds (distance) P-C4' energy: -107.499
flat angles C4'-P-C4' energy: -120.322
flat angles P-C4'-P energy: -88.464
tors. eta vs tors. theta energy: -175.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1933.714867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.714867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.714867 (E_RNA)
where:
Base-Base interactions energy: -1319.490
where: short stacking energy: -546.827
Base-Backbone interact. energy: -1.432
local terms energy: -612.792868
where:
bonds (distance) C4'-P energy: -113.123
bonds (distance) P-C4' energy: -120.444
flat angles C4'-P-C4' energy: -133.864
flat angles P-C4'-P energy: -85.160
tors. eta vs tors. theta energy: -160.202
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: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1765.879890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.879890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.879890 (E_RNA)
where:
Base-Base interactions energy: -1188.501
where: short stacking energy: -554.647
Base-Backbone interact. energy: 0.319
local terms energy: -577.697835
where:
bonds (distance) C4'-P energy: -110.267
bonds (distance) P-C4' energy: -103.385
flat angles C4'-P-C4' energy: -121.772
flat angles P-C4'-P energy: -74.296
tors. eta vs tors. theta energy: -167.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1691.730562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.730562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.730562 (E_RNA)
where:
Base-Base interactions energy: -1174.387
where: short stacking energy: -479.891
Base-Backbone interact. energy: -2.694
local terms energy: -514.650246
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -102.781
flat angles C4'-P-C4' energy: -120.894
flat angles P-C4'-P energy: -69.158
tors. eta vs tors. theta energy: -134.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1504.958149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.958149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.958149 (E_RNA)
where:
Base-Base interactions energy: -998.567
where: short stacking energy: -400.847
Base-Backbone interact. energy: 7.691
local terms energy: -514.081202
where:
bonds (distance) C4'-P energy: -98.419
bonds (distance) P-C4' energy: -101.704
flat angles C4'-P-C4' energy: -117.521
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -119.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1316.316265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.316265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.316265 (E_RNA)
where:
Base-Base interactions energy: -857.341
where: short stacking energy: -361.051
Base-Backbone interact. energy: -3.794
local terms energy: -455.181750
where:
bonds (distance) C4'-P energy: -105.224
bonds (distance) P-C4' energy: -107.623
flat angles C4'-P-C4' energy: -104.903
flat angles P-C4'-P energy: -58.248
tors. eta vs tors. theta energy: -79.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -968.585475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.585475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.585475 (E_RNA)
where:
Base-Base interactions energy: -584.639
where: short stacking energy: -276.287
Base-Backbone interact. energy: 0.808
local terms energy: -384.755148
where:
bonds (distance) C4'-P energy: -83.093
bonds (distance) P-C4' energy: -103.897
flat angles C4'-P-C4' energy: -106.324
flat angles P-C4'-P energy: -53.623
tors. eta vs tors. theta energy: -37.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -699.798535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.798535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.798535 (E_RNA)
where:
Base-Base interactions energy: -355.103
where: short stacking energy: -187.059
Base-Backbone interact. energy: -1.430
local terms energy: -343.265278
where:
bonds (distance) C4'-P energy: -95.728
bonds (distance) P-C4' energy: -94.846
flat angles C4'-P-C4' energy: -93.246
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -596.735520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.735520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.735520 (E_RNA)
where:
Base-Base interactions energy: -288.509
where: short stacking energy: -177.711
Base-Backbone interact. energy: 0.345
local terms energy: -308.571591
where:
bonds (distance) C4'-P energy: -85.572
bonds (distance) P-C4' energy: -112.676
flat angles C4'-P-C4' energy: -81.726
flat angles P-C4'-P energy: -35.859
tors. eta vs tors. theta energy: 7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2072.639105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.639105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.639105 (E_RNA)
where:
Base-Base interactions energy: -1435.160
where: short stacking energy: -581.453
Base-Backbone interact. energy: -2.886
local terms energy: -634.593614
where:
bonds (distance) C4'-P energy: -107.196
bonds (distance) P-C4' energy: -119.397
flat angles C4'-P-C4' energy: -134.286
flat angles P-C4'-P energy: -91.239
tors. eta vs tors. theta energy: -182.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2012.035199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.035199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.035199 (E_RNA)
where:
Base-Base interactions energy: -1394.649
where: short stacking energy: -565.466
Base-Backbone interact. energy: -3.243
local terms energy: -614.143158
where:
bonds (distance) C4'-P energy: -124.487
bonds (distance) P-C4' energy: -108.133
flat angles C4'-P-C4' energy: -129.581
flat angles P-C4'-P energy: -84.081
tors. eta vs tors. theta energy: -167.862
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: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1933.619909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.619909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.619909 (E_RNA)
where:
Base-Base interactions energy: -1356.409
where: short stacking energy: -554.730
Base-Backbone interact. energy: 1.111
local terms energy: -578.321714
where:
bonds (distance) C4'-P energy: -109.845
bonds (distance) P-C4' energy: -94.628
flat angles C4'-P-C4' energy: -131.827
flat angles P-C4'-P energy: -78.640
tors. eta vs tors. theta energy: -163.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1821.698695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.698695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.698695 (E_RNA)
where:
Base-Base interactions energy: -1241.374
where: short stacking energy: -534.746
Base-Backbone interact. energy: -3.990
local terms energy: -576.334588
where:
bonds (distance) C4'-P energy: -110.665
bonds (distance) P-C4' energy: -126.745
flat angles C4'-P-C4' energy: -113.646
flat angles P-C4'-P energy: -76.677
tors. eta vs tors. theta energy: -148.602
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: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1730.090331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.090331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.090331 (E_RNA)
where:
Base-Base interactions energy: -1188.711
where: short stacking energy: -520.144
Base-Backbone interact. energy: 0.350
local terms energy: -541.729354
where:
bonds (distance) C4'-P energy: -92.684
bonds (distance) P-C4' energy: -92.744
flat angles C4'-P-C4' energy: -117.866
flat angles P-C4'-P energy: -81.338
tors. eta vs tors. theta energy: -157.097
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: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1571.327596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.327596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.327596 (E_RNA)
where:
Base-Base interactions energy: -1068.739
where: short stacking energy: -449.781
Base-Backbone interact. energy: -0.124
local terms energy: -502.464026
where:
bonds (distance) C4'-P energy: -104.759
bonds (distance) P-C4' energy: -94.703
flat angles C4'-P-C4' energy: -110.019
flat angles P-C4'-P energy: -75.820
tors. eta vs tors. theta energy: -117.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1261.491228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.491228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.491228 (E_RNA)
where:
Base-Base interactions energy: -820.884
where: short stacking energy: -359.949
Base-Backbone interact. energy: -1.410
local terms energy: -439.197026
where:
bonds (distance) C4'-P energy: -96.010
bonds (distance) P-C4' energy: -108.844
flat angles C4'-P-C4' energy: -95.761
flat angles P-C4'-P energy: -54.969
tors. eta vs tors. theta energy: -83.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1013.412804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.412804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.412804 (E_RNA)
where:
Base-Base interactions energy: -598.238
where: short stacking energy: -299.977
Base-Backbone interact. energy: -1.631
local terms energy: -413.543333
where:
bonds (distance) C4'-P energy: -111.727
bonds (distance) P-C4' energy: -100.904
flat angles C4'-P-C4' energy: -100.997
flat angles P-C4'-P energy: -60.014
tors. eta vs tors. theta energy: -39.901
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: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -662.960821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.960821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.960821 (E_RNA)
where:
Base-Base interactions energy: -339.895
where: short stacking energy: -179.787
Base-Backbone interact. energy: 1.808
local terms energy: -324.873390
where:
bonds (distance) C4'-P energy: -80.476
bonds (distance) P-C4' energy: -107.608
flat angles C4'-P-C4' energy: -89.502
flat angles P-C4'-P energy: -55.024
tors. eta vs tors. theta energy: 7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -552.240613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.240613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.240613 (E_RNA)
where:
Base-Base interactions energy: -233.939
where: short stacking energy: -144.799
Base-Backbone interact. energy: 2.414
local terms energy: -320.716168
where:
bonds (distance) C4'-P energy: -81.260
bonds (distance) P-C4' energy: -108.161
flat angles C4'-P-C4' energy: -62.815
flat angles P-C4'-P energy: -71.798
tors. eta vs tors. theta energy: 3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2069.797093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.797093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.797093 (E_RNA)
where:
Base-Base interactions energy: -1434.898
where: short stacking energy: -584.781
Base-Backbone interact. energy: -2.498
local terms energy: -632.400736
where:
bonds (distance) C4'-P energy: -111.590
bonds (distance) P-C4' energy: -114.667
flat angles C4'-P-C4' energy: -133.913
flat angles P-C4'-P energy: -95.605
tors. eta vs tors. theta energy: -176.626
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: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2012.143183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.143183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.143183 (E_RNA)
where:
Base-Base interactions energy: -1404.289
where: short stacking energy: -592.268
Base-Backbone interact. energy: 0.660
local terms energy: -608.514248
where:
bonds (distance) C4'-P energy: -109.389
bonds (distance) P-C4' energy: -121.008
flat angles C4'-P-C4' energy: -116.114
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -172.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1923.733494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.733494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.733494 (E_RNA)
where:
Base-Base interactions energy: -1346.798
where: short stacking energy: -561.062
Base-Backbone interact. energy: 0.042
local terms energy: -576.977375
where:
bonds (distance) C4'-P energy: -101.979
bonds (distance) P-C4' energy: -108.381
flat angles C4'-P-C4' energy: -127.068
flat angles P-C4'-P energy: -75.204
tors. eta vs tors. theta energy: -164.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1833.306469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.306469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.306469 (E_RNA)
where:
Base-Base interactions energy: -1260.730
where: short stacking energy: -536.032
Base-Backbone interact. energy: -2.180
local terms energy: -570.396359
where:
bonds (distance) C4'-P energy: -94.096
bonds (distance) P-C4' energy: -105.788
flat angles C4'-P-C4' energy: -121.519
flat angles P-C4'-P energy: -83.787
tors. eta vs tors. theta energy: -165.206
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: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1724.791029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.791029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.791029 (E_RNA)
where:
Base-Base interactions energy: -1171.365
where: short stacking energy: -519.923
Base-Backbone interact. energy: -1.396
local terms energy: -552.030392
where:
bonds (distance) C4'-P energy: -104.029
bonds (distance) P-C4' energy: -97.196
flat angles C4'-P-C4' energy: -117.654
flat angles P-C4'-P energy: -64.928
tors. eta vs tors. theta energy: -168.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1638.851806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.851806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.851806 (E_RNA)
where:
Base-Base interactions energy: -1111.320
where: short stacking energy: -484.740
Base-Backbone interact. energy: -0.954
local terms energy: -526.577718
where:
bonds (distance) C4'-P energy: -103.389
bonds (distance) P-C4' energy: -109.404
flat angles C4'-P-C4' energy: -102.897
flat angles P-C4'-P energy: -77.121
tors. eta vs tors. theta energy: -133.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1257.089954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.089954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.089954 (E_RNA)
where:
Base-Base interactions energy: -817.705
where: short stacking energy: -354.473
Base-Backbone interact. energy: -1.130
local terms energy: -438.254966
where:
bonds (distance) C4'-P energy: -109.442
bonds (distance) P-C4' energy: -105.317
flat angles C4'-P-C4' energy: -97.197
flat angles P-C4'-P energy: -47.051
tors. eta vs tors. theta energy: -79.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -994.436991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.436991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.436991 (E_RNA)
where:
Base-Base interactions energy: -600.888
where: short stacking energy: -304.685
Base-Backbone interact. energy: 3.002
local terms energy: -396.550750
where:
bonds (distance) C4'-P energy: -96.647
bonds (distance) P-C4' energy: -104.987
flat angles C4'-P-C4' energy: -84.358
flat angles P-C4'-P energy: -63.025
tors. eta vs tors. theta energy: -47.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -668.931941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.931941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.931941 (E_RNA)
where:
Base-Base interactions energy: -343.020
where: short stacking energy: -185.658
Base-Backbone interact. energy: -1.949
local terms energy: -323.962563
where:
bonds (distance) C4'-P energy: -82.173
bonds (distance) P-C4' energy: -109.315
flat angles C4'-P-C4' energy: -84.843
flat angles P-C4'-P energy: -55.516
tors. eta vs tors. theta energy: 7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -528.487494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.487494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.487494 (E_RNA)
where:
Base-Base interactions energy: -210.318
where: short stacking energy: -125.150
Base-Backbone interact. energy: 0.472
local terms energy: -318.640970
where:
bonds (distance) C4'-P energy: -109.153
bonds (distance) P-C4' energy: -93.885
flat angles C4'-P-C4' energy: -85.803
flat angles P-C4'-P energy: -53.822
tors. eta vs tors. theta energy: 24.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2087.207600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.207600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.207600 (E_RNA)
where:
Base-Base interactions energy: -1468.988
where: short stacking energy: -604.071
Base-Backbone interact. energy: -3.094
local terms energy: -615.126330
where:
bonds (distance) C4'-P energy: -114.549
bonds (distance) P-C4' energy: -114.918
flat angles C4'-P-C4' energy: -128.945
flat angles P-C4'-P energy: -80.428
tors. eta vs tors. theta energy: -176.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2013.217318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.217318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.217318 (E_RNA)
where:
Base-Base interactions energy: -1397.280
where: short stacking energy: -580.098
Base-Backbone interact. energy: -4.440
local terms energy: -611.497570
where:
bonds (distance) C4'-P energy: -94.335
bonds (distance) P-C4' energy: -117.928
flat angles C4'-P-C4' energy: -129.329
flat angles P-C4'-P energy: -88.413
tors. eta vs tors. theta energy: -181.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1941.250747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.250747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.250747 (E_RNA)
where:
Base-Base interactions energy: -1308.318
where: short stacking energy: -556.020
Base-Backbone interact. energy: -3.353
local terms energy: -629.580502
where:
bonds (distance) C4'-P energy: -122.097
bonds (distance) P-C4' energy: -120.357
flat angles C4'-P-C4' energy: -130.062
flat angles P-C4'-P energy: -85.861
tors. eta vs tors. theta energy: -171.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1776.082988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.082988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.082988 (E_RNA)
where:
Base-Base interactions energy: -1215.130
where: short stacking energy: -523.291
Base-Backbone interact. energy: -0.344
local terms energy: -560.609283
where:
bonds (distance) C4'-P energy: -104.307
bonds (distance) P-C4' energy: -104.907
flat angles C4'-P-C4' energy: -130.504
flat angles P-C4'-P energy: -79.537
tors. eta vs tors. theta energy: -141.354
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: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1729.090284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.090284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.090284 (E_RNA)
where:
Base-Base interactions energy: -1194.492
where: short stacking energy: -511.420
Base-Backbone interact. energy: -1.608
local terms energy: -532.990245
where:
bonds (distance) C4'-P energy: -99.079
bonds (distance) P-C4' energy: -96.322
flat angles C4'-P-C4' energy: -123.345
flat angles P-C4'-P energy: -57.862
tors. eta vs tors. theta energy: -156.382
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: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1641.203525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.203525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.203525 (E_RNA)
where:
Base-Base interactions energy: -1123.786
where: short stacking energy: -452.621
Base-Backbone interact. energy: 1.367
local terms energy: -518.785168
where:
bonds (distance) C4'-P energy: -97.021
bonds (distance) P-C4' energy: -116.246
flat angles C4'-P-C4' energy: -109.936
flat angles P-C4'-P energy: -75.180
tors. eta vs tors. theta energy: -120.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1270.507013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.507013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.507013 (E_RNA)
where:
Base-Base interactions energy: -850.775
where: short stacking energy: -367.892
Base-Backbone interact. energy: -0.532
local terms energy: -419.199954
where:
bonds (distance) C4'-P energy: -98.607
bonds (distance) P-C4' energy: -82.564
flat angles C4'-P-C4' energy: -91.857
flat angles P-C4'-P energy: -60.883
tors. eta vs tors. theta energy: -85.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1053.537791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.537791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.537791 (E_RNA)
where:
Base-Base interactions energy: -648.356
where: short stacking energy: -320.298
Base-Backbone interact. energy: -1.347
local terms energy: -403.834701
where:
bonds (distance) C4'-P energy: -100.180
bonds (distance) P-C4' energy: -92.344
flat angles C4'-P-C4' energy: -89.371
flat angles P-C4'-P energy: -65.334
tors. eta vs tors. theta energy: -56.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -679.397588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.397588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.397588 (E_RNA)
where:
Base-Base interactions energy: -341.733
where: short stacking energy: -202.621
Base-Backbone interact. energy: 1.046
local terms energy: -338.710882
where:
bonds (distance) C4'-P energy: -75.691
bonds (distance) P-C4' energy: -104.514
flat angles C4'-P-C4' energy: -81.268
flat angles P-C4'-P energy: -55.809
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -582.524694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.524694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.524694 (E_RNA)
where:
Base-Base interactions energy: -245.644
where: short stacking energy: -161.588
Base-Backbone interact. energy: -1.581
local terms energy: -335.299715
where:
bonds (distance) C4'-P energy: -88.763
bonds (distance) P-C4' energy: -113.042
flat angles C4'-P-C4' energy: -86.932
flat angles P-C4'-P energy: -50.129
tors. eta vs tors. theta energy: 3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2097.966177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.966177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.966177 (E_RNA)
where:
Base-Base interactions energy: -1455.766
where: short stacking energy: -597.660
Base-Backbone interact. energy: -3.927
local terms energy: -638.272666
where:
bonds (distance) C4'-P energy: -127.809
bonds (distance) P-C4' energy: -120.005
flat angles C4'-P-C4' energy: -129.369
flat angles P-C4'-P energy: -91.737
tors. eta vs tors. theta energy: -169.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2032.585871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.585871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.585871 (E_RNA)
where:
Base-Base interactions energy: -1405.055
where: short stacking energy: -597.618
Base-Backbone interact. energy: 0.066
local terms energy: -627.596784
where:
bonds (distance) C4'-P energy: -100.379
bonds (distance) P-C4' energy: -118.940
flat angles C4'-P-C4' energy: -140.808
flat angles P-C4'-P energy: -89.118
tors. eta vs tors. theta energy: -178.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1897.424778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.424778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.424778 (E_RNA)
where:
Base-Base interactions energy: -1296.214
where: short stacking energy: -560.214
Base-Backbone interact. energy: -1.245
local terms energy: -599.965717
where:
bonds (distance) C4'-P energy: -103.607
bonds (distance) P-C4' energy: -117.963
flat angles C4'-P-C4' energy: -127.681
flat angles P-C4'-P energy: -88.480
tors. eta vs tors. theta energy: -162.234
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: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1796.238933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.238933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.238933 (E_RNA)
where:
Base-Base interactions energy: -1224.635
where: short stacking energy: -520.209
Base-Backbone interact. energy: -1.444
local terms energy: -570.160173
where:
bonds (distance) C4'-P energy: -112.927
bonds (distance) P-C4' energy: -106.766
flat angles C4'-P-C4' energy: -118.297
flat angles P-C4'-P energy: -69.603
tors. eta vs tors. theta energy: -162.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1721.730172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.730172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.730172 (E_RNA)
where:
Base-Base interactions energy: -1174.478
where: short stacking energy: -505.278
Base-Backbone interact. energy: -0.067
local terms energy: -547.185050
where:
bonds (distance) C4'-P energy: -106.100
bonds (distance) P-C4' energy: -106.937
flat angles C4'-P-C4' energy: -125.199
flat angles P-C4'-P energy: -63.640
tors. eta vs tors. theta energy: -145.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1579.784606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.784606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.784606 (E_RNA)
where:
Base-Base interactions energy: -1076.690
where: short stacking energy: -466.373
Base-Backbone interact. energy: -1.948
local terms energy: -501.146669
where:
bonds (distance) C4'-P energy: -94.328
bonds (distance) P-C4' energy: -109.110
flat angles C4'-P-C4' energy: -109.898
flat angles P-C4'-P energy: -67.629
tors. eta vs tors. theta energy: -120.182
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: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1235.075734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.075734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.075734 (E_RNA)
where:
Base-Base interactions energy: -803.779
where: short stacking energy: -349.141
Base-Backbone interact. energy: 2.055
local terms energy: -433.352482
where:
bonds (distance) C4'-P energy: -96.943
bonds (distance) P-C4' energy: -94.505
flat angles C4'-P-C4' energy: -105.845
flat angles P-C4'-P energy: -58.296
tors. eta vs tors. theta energy: -77.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1064.654009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.654009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.654009 (E_RNA)
where:
Base-Base interactions energy: -660.936
where: short stacking energy: -308.048
Base-Backbone interact. energy: 2.084
local terms energy: -405.801789
where:
bonds (distance) C4'-P energy: -79.064
bonds (distance) P-C4' energy: -91.642
flat angles C4'-P-C4' energy: -117.379
flat angles P-C4'-P energy: -50.681
tors. eta vs tors. theta energy: -67.035
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: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -618.998443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.998443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.998443 (E_RNA)
where:
Base-Base interactions energy: -284.787
where: short stacking energy: -174.054
Base-Backbone interact. energy: -0.477
local terms energy: -333.734756
where:
bonds (distance) C4'-P energy: -85.161
bonds (distance) P-C4' energy: -89.746
flat angles C4'-P-C4' energy: -101.872
flat angles P-C4'-P energy: -55.022
tors. eta vs tors. theta energy: -1.935
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: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -656.397202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.397202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.397202 (E_RNA)
where:
Base-Base interactions energy: -335.180
where: short stacking energy: -182.772
Base-Backbone interact. energy: 3.040
local terms energy: -324.257182
where:
bonds (distance) C4'-P energy: -91.123
bonds (distance) P-C4' energy: -105.179
flat angles C4'-P-C4' energy: -83.287
flat angles P-C4'-P energy: -51.531
tors. eta vs tors. theta energy: 6.862
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: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2082.407436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.407436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.407436 (E_RNA)
where:
Base-Base interactions energy: -1434.589
where: short stacking energy: -580.158
Base-Backbone interact. energy: -1.521
local terms energy: -646.297044
where:
bonds (distance) C4'-P energy: -124.021
bonds (distance) P-C4' energy: -114.759
flat angles C4'-P-C4' energy: -134.071
flat angles P-C4'-P energy: -90.988
tors. eta vs tors. theta energy: -182.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2018.770022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.770022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.770022 (E_RNA)
where:
Base-Base interactions energy: -1421.948
where: short stacking energy: -587.557
Base-Backbone interact. energy: -0.861
local terms energy: -595.960860
where:
bonds (distance) C4'-P energy: -104.843
bonds (distance) P-C4' energy: -114.635
flat angles C4'-P-C4' energy: -130.737
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -170.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1884.331528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.331528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.331528 (E_RNA)
where:
Base-Base interactions energy: -1296.446
where: short stacking energy: -534.765
Base-Backbone interact. energy: -1.345
local terms energy: -586.540404
where:
bonds (distance) C4'-P energy: -120.530
bonds (distance) P-C4' energy: -113.878
flat angles C4'-P-C4' energy: -127.373
flat angles P-C4'-P energy: -82.058
tors. eta vs tors. theta energy: -142.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1747.016866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.016866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.016866 (E_RNA)
where:
Base-Base interactions energy: -1173.850
where: short stacking energy: -520.171
Base-Backbone interact. energy: -2.019
local terms energy: -571.147536
where:
bonds (distance) C4'-P energy: -110.494
bonds (distance) P-C4' energy: -101.639
flat angles C4'-P-C4' energy: -128.084
flat angles P-C4'-P energy: -82.909
tors. eta vs tors. theta energy: -148.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1756.244598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.244598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.244598 (E_RNA)
where:
Base-Base interactions energy: -1206.643
where: short stacking energy: -535.019
Base-Backbone interact. energy: -0.071
local terms energy: -549.530618
where:
bonds (distance) C4'-P energy: -104.329
bonds (distance) P-C4' energy: -101.850
flat angles C4'-P-C4' energy: -112.916
flat angles P-C4'-P energy: -78.565
tors. eta vs tors. theta energy: -151.870
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1589.722409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.722409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.722409 (E_RNA)
where:
Base-Base interactions energy: -1069.794
where: short stacking energy: -473.730
Base-Backbone interact. energy: 2.814
local terms energy: -522.742475
where:
bonds (distance) C4'-P energy: -113.307
bonds (distance) P-C4' energy: -100.859
flat angles C4'-P-C4' energy: -108.630
flat angles P-C4'-P energy: -79.044
tors. eta vs tors. theta energy: -120.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1275.400006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.400006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.400006 (E_RNA)
where:
Base-Base interactions energy: -794.646
where: short stacking energy: -331.962
Base-Backbone interact. energy: -2.433
local terms energy: -478.321120
where:
bonds (distance) C4'-P energy: -103.348
bonds (distance) P-C4' energy: -108.419
flat angles C4'-P-C4' energy: -106.162
flat angles P-C4'-P energy: -73.687
tors. eta vs tors. theta energy: -86.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1059.121392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.121392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.121392 (E_RNA)
where:
Base-Base interactions energy: -670.415
where: short stacking energy: -305.197
Base-Backbone interact. energy: 5.329
local terms energy: -394.035294
where:
bonds (distance) C4'-P energy: -94.296
bonds (distance) P-C4' energy: -91.879
flat angles C4'-P-C4' energy: -100.123
flat angles P-C4'-P energy: -53.165
tors. eta vs tors. theta energy: -54.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -663.166757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.166757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.166757 (E_RNA)
where:
Base-Base interactions energy: -317.085
where: short stacking energy: -169.359
Base-Backbone interact. energy: -0.967
local terms energy: -345.114968
where:
bonds (distance) C4'-P energy: -93.426
bonds (distance) P-C4' energy: -99.141
flat angles C4'-P-C4' energy: -94.503
flat angles P-C4'-P energy: -63.202
tors. eta vs tors. theta energy: 5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -678.343654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.343654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.343654 (E_RNA)
where:
Base-Base interactions energy: -323.353
where: short stacking energy: -169.588
Base-Backbone interact. energy: 0.889
local terms energy: -355.880484
where:
bonds (distance) C4'-P energy: -94.888
bonds (distance) P-C4' energy: -96.844
flat angles C4'-P-C4' energy: -94.279
flat angles P-C4'-P energy: -54.989
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2069.193646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.193646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.193646 (E_RNA)
where:
Base-Base interactions energy: -1418.934
where: short stacking energy: -597.831
Base-Backbone interact. energy: -4.624
local terms energy: -645.635732
where:
bonds (distance) C4'-P energy: -118.405
bonds (distance) P-C4' energy: -116.611
flat angles C4'-P-C4' energy: -137.078
flat angles P-C4'-P energy: -92.507
tors. eta vs tors. theta energy: -181.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2006.119048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.119048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.119048 (E_RNA)
where:
Base-Base interactions energy: -1396.891
where: short stacking energy: -562.804
Base-Backbone interact. energy: -1.621
local terms energy: -607.607281
where:
bonds (distance) C4'-P energy: -104.947
bonds (distance) P-C4' energy: -122.911
flat angles C4'-P-C4' energy: -123.385
flat angles P-C4'-P energy: -86.243
tors. eta vs tors. theta energy: -170.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1901.007589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.007589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.007589 (E_RNA)
where:
Base-Base interactions energy: -1319.159
where: short stacking energy: -560.417
Base-Backbone interact. energy: -0.399
local terms energy: -581.449854
where:
bonds (distance) C4'-P energy: -104.429
bonds (distance) P-C4' energy: -106.445
flat angles C4'-P-C4' energy: -123.484
flat angles P-C4'-P energy: -79.867
tors. eta vs tors. theta energy: -167.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1795.471334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.471334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.471334 (E_RNA)
where:
Base-Base interactions energy: -1248.115
where: short stacking energy: -532.228
Base-Backbone interact. energy: 1.371
local terms energy: -548.727144
where:
bonds (distance) C4'-P energy: -105.500
bonds (distance) P-C4' energy: -96.036
flat angles C4'-P-C4' energy: -116.782
flat angles P-C4'-P energy: -83.418
tors. eta vs tors. theta energy: -146.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1741.027289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.027289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.027289 (E_RNA)
where:
Base-Base interactions energy: -1178.699
where: short stacking energy: -514.995
Base-Backbone interact. energy: -0.355
local terms energy: -561.972816
where:
bonds (distance) C4'-P energy: -102.741
bonds (distance) P-C4' energy: -106.069
flat angles C4'-P-C4' energy: -116.300
flat angles P-C4'-P energy: -79.055
tors. eta vs tors. theta energy: -157.808
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: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1570.178751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.178751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.178751 (E_RNA)
where:
Base-Base interactions energy: -1068.079
where: short stacking energy: -411.978
Base-Backbone interact. energy: -0.213
local terms energy: -501.887263
where:
bonds (distance) C4'-P energy: -100.979
bonds (distance) P-C4' energy: -112.406
flat angles C4'-P-C4' energy: -113.745
flat angles P-C4'-P energy: -71.303
tors. eta vs tors. theta energy: -103.455
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: 410
Temperature: 1.200000
Total energy: -1198.167302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.167302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.167302 (E_RNA)
where:
Base-Base interactions energy: -770.359
where: short stacking energy: -348.037
Base-Backbone interact. energy: 0.588
local terms energy: -428.396703
where:
bonds (distance) C4'-P energy: -101.478
bonds (distance) P-C4' energy: -83.055
flat angles C4'-P-C4' energy: -106.682
flat angles P-C4'-P energy: -64.955
tors. eta vs tors. theta energy: -72.227
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: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -975.289769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.289769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.289769 (E_RNA)
where:
Base-Base interactions energy: -602.730
where: short stacking energy: -287.584
Base-Backbone interact. energy: 3.581
local terms energy: -376.140652
where:
bonds (distance) C4'-P energy: -101.173
bonds (distance) P-C4' energy: -80.174
flat angles C4'-P-C4' energy: -89.566
flat angles P-C4'-P energy: -54.279
tors. eta vs tors. theta energy: -50.949
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: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -756.137922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.137922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.137922 (E_RNA)
where:
Base-Base interactions energy: -412.277
where: short stacking energy: -237.804
Base-Backbone interact. energy: -5.108
local terms energy: -338.753319
where:
bonds (distance) C4'-P energy: -81.949
bonds (distance) P-C4' energy: -101.093
flat angles C4'-P-C4' energy: -76.659
flat angles P-C4'-P energy: -47.613
tors. eta vs tors. theta energy: -31.439
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: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -618.634537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.634537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.634537 (E_RNA)
where:
Base-Base interactions energy: -300.778
where: short stacking energy: -173.594
Base-Backbone interact. energy: 1.960
local terms energy: -319.816234
where:
bonds (distance) C4'-P energy: -96.569
bonds (distance) P-C4' energy: -94.321
flat angles C4'-P-C4' energy: -82.108
flat angles P-C4'-P energy: -42.946
tors. eta vs tors. theta energy: -3.872
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: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2080.911974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.911974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.911974 (E_RNA)
where:
Base-Base interactions energy: -1462.630
where: short stacking energy: -614.124
Base-Backbone interact. energy: -3.903
local terms energy: -614.379116
where:
bonds (distance) C4'-P energy: -104.773
bonds (distance) P-C4' energy: -126.273
flat angles C4'-P-C4' energy: -129.645
flat angles P-C4'-P energy: -80.998
tors. eta vs tors. theta energy: -172.690
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: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1988.035249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.035249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.035249 (E_RNA)
where:
Base-Base interactions energy: -1381.743
where: short stacking energy: -542.469
Base-Backbone interact. energy: -3.811
local terms energy: -602.481050
where:
bonds (distance) C4'-P energy: -107.020
bonds (distance) P-C4' energy: -118.723
flat angles C4'-P-C4' energy: -123.527
flat angles P-C4'-P energy: -81.690
tors. eta vs tors. theta energy: -171.521
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: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1921.788425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.788425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.788425 (E_RNA)
where:
Base-Base interactions energy: -1299.101
where: short stacking energy: -558.045
Base-Backbone interact. energy: 1.980
local terms energy: -624.666960
where:
bonds (distance) C4'-P energy: -116.563
bonds (distance) P-C4' energy: -118.206
flat angles C4'-P-C4' energy: -133.772
flat angles P-C4'-P energy: -84.159
tors. eta vs tors. theta energy: -171.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1804.536699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.536699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.536699 (E_RNA)
where:
Base-Base interactions energy: -1240.596
where: short stacking energy: -542.890
Base-Backbone interact. energy: -2.503
local terms energy: -561.437087
where:
bonds (distance) C4'-P energy: -108.766
bonds (distance) P-C4' energy: -103.312
flat angles C4'-P-C4' energy: -116.665
flat angles P-C4'-P energy: -79.045
tors. eta vs tors. theta energy: -153.650
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: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1689.078364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.078364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.078364 (E_RNA)
where:
Base-Base interactions energy: -1116.591
where: short stacking energy: -510.999
Base-Backbone interact. energy: -2.874
local terms energy: -569.613503
where:
bonds (distance) C4'-P energy: -103.877
bonds (distance) P-C4' energy: -98.930
flat angles C4'-P-C4' energy: -129.208
flat angles P-C4'-P energy: -77.559
tors. eta vs tors. theta energy: -160.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1568.297015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.297015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.297015 (E_RNA)
where:
Base-Base interactions energy: -1063.512
where: short stacking energy: -433.650
Base-Backbone interact. energy: 3.610
local terms energy: -508.394983
where:
bonds (distance) C4'-P energy: -101.920
bonds (distance) P-C4' energy: -96.765
flat angles C4'-P-C4' energy: -112.967
flat angles P-C4'-P energy: -76.729
tors. eta vs tors. theta energy: -120.014
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: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1277.608021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.608021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.608021 (E_RNA)
where:
Base-Base interactions energy: -817.797
where: short stacking energy: -372.509
Base-Backbone interact. energy: 1.668
local terms energy: -461.479373
where:
bonds (distance) C4'-P energy: -96.945
bonds (distance) P-C4' energy: -108.442
flat angles C4'-P-C4' energy: -94.522
flat angles P-C4'-P energy: -65.737
tors. eta vs tors. theta energy: -95.833
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: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1051.893296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.893296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.893296 (E_RNA)
where:
Base-Base interactions energy: -664.164
where: short stacking energy: -312.404
Base-Backbone interact. energy: 0.078
local terms energy: -387.806801
where:
bonds (distance) C4'-P energy: -90.760
bonds (distance) P-C4' energy: -95.623
flat angles C4'-P-C4' energy: -95.146
flat angles P-C4'-P energy: -44.194
tors. eta vs tors. theta energy: -62.083
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -758.859108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.859108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.859108 (E_RNA)
where:
Base-Base interactions energy: -423.746
where: short stacking energy: -235.980
Base-Backbone interact. energy: 0.996
local terms energy: -336.108986
where:
bonds (distance) C4'-P energy: -95.522
bonds (distance) P-C4' energy: -100.441
flat angles C4'-P-C4' energy: -79.125
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -17.119
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: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -566.576309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.576309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.576309 (E_RNA)
where:
Base-Base interactions energy: -253.936
where: short stacking energy: -155.325
Base-Backbone interact. energy: 2.466
local terms energy: -315.106511
where:
bonds (distance) C4'-P energy: -67.556
bonds (distance) P-C4' energy: -104.130
flat angles C4'-P-C4' energy: -97.158
flat angles P-C4'-P energy: -49.071
tors. eta vs tors. theta energy: 2.808
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: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2079.820770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.820770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.820770 (E_RNA)
where:
Base-Base interactions energy: -1458.192
where: short stacking energy: -583.110
Base-Backbone interact. energy: -2.946
local terms energy: -618.682893
where:
bonds (distance) C4'-P energy: -107.156
bonds (distance) P-C4' energy: -122.210
flat angles C4'-P-C4' energy: -130.696
flat angles P-C4'-P energy: -81.867
tors. eta vs tors. theta energy: -176.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2049.517600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.517600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.517600 (E_RNA)
where:
Base-Base interactions energy: -1432.468
where: short stacking energy: -601.928
Base-Backbone interact. energy: -1.768
local terms energy: -615.281948
where:
bonds (distance) C4'-P energy: -108.941
bonds (distance) P-C4' energy: -129.471
flat angles C4'-P-C4' energy: -133.266
flat angles P-C4'-P energy: -72.590
tors. eta vs tors. theta energy: -171.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1869.248366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.248366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.248366 (E_RNA)
where:
Base-Base interactions energy: -1274.296
where: short stacking energy: -561.729
Base-Backbone interact. energy: -1.421
local terms energy: -593.530624
where:
bonds (distance) C4'-P energy: -108.898
bonds (distance) P-C4' energy: -111.786
flat angles C4'-P-C4' energy: -132.402
flat angles P-C4'-P energy: -75.158
tors. eta vs tors. theta energy: -165.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1813.839621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.839621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.839621 (E_RNA)
where:
Base-Base interactions energy: -1245.252
where: short stacking energy: -542.709
Base-Backbone interact. energy: -0.890
local terms energy: -567.697484
where:
bonds (distance) C4'-P energy: -115.999
bonds (distance) P-C4' energy: -104.152
flat angles C4'-P-C4' energy: -124.736
flat angles P-C4'-P energy: -77.248
tors. eta vs tors. theta energy: -145.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1756.974112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.974112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.974112 (E_RNA)
where:
Base-Base interactions energy: -1166.253
where: short stacking energy: -529.116
Base-Backbone interact. energy: -1.557
local terms energy: -589.164602
where:
bonds (distance) C4'-P energy: -115.199
bonds (distance) P-C4' energy: -101.863
flat angles C4'-P-C4' energy: -124.712
flat angles P-C4'-P energy: -85.418
tors. eta vs tors. theta energy: -161.972
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: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1674.716686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.716686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.716686 (E_RNA)
where:
Base-Base interactions energy: -1149.632
where: short stacking energy: -481.476
Base-Backbone interact. energy: -0.131
local terms energy: -524.952918
where:
bonds (distance) C4'-P energy: -85.332
bonds (distance) P-C4' energy: -99.042
flat angles C4'-P-C4' energy: -125.055
flat angles P-C4'-P energy: -74.129
tors. eta vs tors. theta energy: -141.395
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: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1310.952534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.952534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.952534 (E_RNA)
where:
Base-Base interactions energy: -840.816
where: short stacking energy: -367.525
Base-Backbone interact. energy: 0.051
local terms energy: -470.187782
where:
bonds (distance) C4'-P energy: -97.496
bonds (distance) P-C4' energy: -99.528
flat angles C4'-P-C4' energy: -105.354
flat angles P-C4'-P energy: -70.844
tors. eta vs tors. theta energy: -96.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1048.784525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.784525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.784525 (E_RNA)
where:
Base-Base interactions energy: -657.874
where: short stacking energy: -302.171
Base-Backbone interact. energy: 1.532
local terms energy: -392.441870
where:
bonds (distance) C4'-P energy: -98.681
bonds (distance) P-C4' energy: -87.925
flat angles C4'-P-C4' energy: -99.553
flat angles P-C4'-P energy: -65.366
tors. eta vs tors. theta energy: -40.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -742.741030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.741030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.741030 (E_RNA)
where:
Base-Base interactions energy: -378.804
where: short stacking energy: -190.114
Base-Backbone interact. energy: -3.067
local terms energy: -360.869856
where:
bonds (distance) C4'-P energy: -99.036
bonds (distance) P-C4' energy: -112.077
flat angles C4'-P-C4' energy: -81.934
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -546.909123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.909123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.909123 (E_RNA)
where:
Base-Base interactions energy: -235.763
where: short stacking energy: -153.015
Base-Backbone interact. energy: 3.488
local terms energy: -314.634896
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -100.533
flat angles C4'-P-C4' energy: -71.615
flat angles P-C4'-P energy: -59.014
tors. eta vs tors. theta energy: 6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2096.488539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.488539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.488539 (E_RNA)
where:
Base-Base interactions energy: -1467.016
where: short stacking energy: -591.839
Base-Backbone interact. energy: -4.010
local terms energy: -625.462730
where:
bonds (distance) C4'-P energy: -106.218
bonds (distance) P-C4' energy: -120.723
flat angles C4'-P-C4' energy: -127.026
flat angles P-C4'-P energy: -88.102
tors. eta vs tors. theta energy: -183.394
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: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2045.651706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.651706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.651706 (E_RNA)
where:
Base-Base interactions energy: -1434.041
where: short stacking energy: -567.939
Base-Backbone interact. energy: -0.347
local terms energy: -611.263779
where:
bonds (distance) C4'-P energy: -105.780
bonds (distance) P-C4' energy: -105.807
flat angles C4'-P-C4' energy: -132.188
flat angles P-C4'-P energy: -95.770
tors. eta vs tors. theta energy: -171.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1895.454995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.454995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.454995 (E_RNA)
where:
Base-Base interactions energy: -1300.282
where: short stacking energy: -546.057
Base-Backbone interact. energy: -2.371
local terms energy: -592.802079
where:
bonds (distance) C4'-P energy: -108.351
bonds (distance) P-C4' energy: -124.823
flat angles C4'-P-C4' energy: -122.701
flat angles P-C4'-P energy: -83.100
tors. eta vs tors. theta energy: -153.827
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: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1808.338432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.338432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.338432 (E_RNA)
where:
Base-Base interactions energy: -1238.618
where: short stacking energy: -533.182
Base-Backbone interact. energy: -4.013
local terms energy: -565.707088
where:
bonds (distance) C4'-P energy: -108.194
bonds (distance) P-C4' energy: -105.926
flat angles C4'-P-C4' energy: -121.611
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: -154.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1744.395156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.395156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.395156 (E_RNA)
where:
Base-Base interactions energy: -1172.114
where: short stacking energy: -516.061
Base-Backbone interact. energy: -1.229
local terms energy: -571.052321
where:
bonds (distance) C4'-P energy: -89.657
bonds (distance) P-C4' energy: -113.796
flat angles C4'-P-C4' energy: -124.554
flat angles P-C4'-P energy: -77.672
tors. eta vs tors. theta energy: -165.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1662.053267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.053267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.053267 (E_RNA)
where:
Base-Base interactions energy: -1137.021
where: short stacking energy: -466.648
Base-Backbone interact. energy: -2.480
local terms energy: -522.552578
where:
bonds (distance) C4'-P energy: -92.546
bonds (distance) P-C4' energy: -99.445
flat angles C4'-P-C4' energy: -118.025
flat angles P-C4'-P energy: -79.308
tors. eta vs tors. theta energy: -133.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1293.681354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.681354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.681354 (E_RNA)
where:
Base-Base interactions energy: -846.401
where: short stacking energy: -367.038
Base-Backbone interact. energy: 1.909
local terms energy: -449.189542
where:
bonds (distance) C4'-P energy: -101.702
bonds (distance) P-C4' energy: -86.474
flat angles C4'-P-C4' energy: -102.496
flat angles P-C4'-P energy: -81.099
tors. eta vs tors. theta energy: -77.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1009.511984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.511984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.511984 (E_RNA)
where:
Base-Base interactions energy: -598.687
where: short stacking energy: -275.986
Base-Backbone interact. energy: 2.806
local terms energy: -413.630781
where:
bonds (distance) C4'-P energy: -106.770
bonds (distance) P-C4' energy: -111.514
flat angles C4'-P-C4' energy: -100.791
flat angles P-C4'-P energy: -50.310
tors. eta vs tors. theta energy: -44.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -736.221482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.221482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.221482 (E_RNA)
where:
Base-Base interactions energy: -392.340
where: short stacking energy: -217.391
Base-Backbone interact. energy: 6.177
local terms energy: -350.059104
where:
bonds (distance) C4'-P energy: -81.033
bonds (distance) P-C4' energy: -102.952
flat angles C4'-P-C4' energy: -96.825
flat angles P-C4'-P energy: -48.427
tors. eta vs tors. theta energy: -20.822
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: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -555.082495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.082495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.082495 (E_RNA)
where:
Base-Base interactions energy: -264.474
where: short stacking energy: -157.254
Base-Backbone interact. energy: 2.346
local terms energy: -292.953994
where:
bonds (distance) C4'-P energy: -93.997
bonds (distance) P-C4' energy: -85.925
flat angles C4'-P-C4' energy: -89.682
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: 13.244
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: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2078.957687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.957687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.957687 (E_RNA)
where:
Base-Base interactions energy: -1459.849
where: short stacking energy: -578.075
Base-Backbone interact. energy: -2.318
local terms energy: -616.790814
where:
bonds (distance) C4'-P energy: -125.361
bonds (distance) P-C4' energy: -107.946
flat angles C4'-P-C4' energy: -127.373
flat angles P-C4'-P energy: -83.648
tors. eta vs tors. theta energy: -172.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2016.169607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.169607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.169607 (E_RNA)
where:
Base-Base interactions energy: -1384.303
where: short stacking energy: -590.166
Base-Backbone interact. energy: -3.163
local terms energy: -628.704305
where:
bonds (distance) C4'-P energy: -115.204
bonds (distance) P-C4' energy: -118.318
flat angles C4'-P-C4' energy: -133.111
flat angles P-C4'-P energy: -95.595
tors. eta vs tors. theta energy: -166.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1894.580695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.580695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.580695 (E_RNA)
where:
Base-Base interactions energy: -1327.905
where: short stacking energy: -530.525
Base-Backbone interact. energy: -0.992
local terms energy: -565.684638
where:
bonds (distance) C4'-P energy: -103.555
bonds (distance) P-C4' energy: -106.448
flat angles C4'-P-C4' energy: -137.975
flat angles P-C4'-P energy: -68.259
tors. eta vs tors. theta energy: -149.446
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: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1798.102199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.102199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.102199 (E_RNA)
where:
Base-Base interactions energy: -1254.283
where: short stacking energy: -529.768
Base-Backbone interact. energy: -0.979
local terms energy: -542.840037
where:
bonds (distance) C4'-P energy: -100.568
bonds (distance) P-C4' energy: -90.867
flat angles C4'-P-C4' energy: -120.587
flat angles P-C4'-P energy: -82.715
tors. eta vs tors. theta energy: -148.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1773.788093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.788093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.788093 (E_RNA)
where:
Base-Base interactions energy: -1187.960
where: short stacking energy: -520.656
Base-Backbone interact. energy: 0.855
local terms energy: -586.683410
where:
bonds (distance) C4'-P energy: -115.620
bonds (distance) P-C4' energy: -112.801
flat angles C4'-P-C4' energy: -116.728
flat angles P-C4'-P energy: -90.864
tors. eta vs tors. theta energy: -150.671
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: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1625.660582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.660582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.660582 (E_RNA)
where:
Base-Base interactions energy: -1083.740
where: short stacking energy: -465.437
Base-Backbone interact. energy: -3.584
local terms energy: -538.336288
where:
bonds (distance) C4'-P energy: -108.802
bonds (distance) P-C4' energy: -97.477
flat angles C4'-P-C4' energy: -121.079
flat angles P-C4'-P energy: -75.543
tors. eta vs tors. theta energy: -135.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1334.517515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.517515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.517515 (E_RNA)
where:
Base-Base interactions energy: -858.435
where: short stacking energy: -383.546
Base-Backbone interact. energy: -1.125
local terms energy: -474.957524
where:
bonds (distance) C4'-P energy: -92.931
bonds (distance) P-C4' energy: -115.147
flat angles C4'-P-C4' energy: -97.005
flat angles P-C4'-P energy: -73.007
tors. eta vs tors. theta energy: -96.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1056.925456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.925456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.925456 (E_RNA)
where:
Base-Base interactions energy: -659.068
where: short stacking energy: -308.070
Base-Backbone interact. energy: 1.515
local terms energy: -399.371783
where:
bonds (distance) C4'-P energy: -92.980
bonds (distance) P-C4' energy: -97.068
flat angles C4'-P-C4' energy: -99.601
flat angles P-C4'-P energy: -57.374
tors. eta vs tors. theta energy: -52.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -761.475184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.475184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.475184 (E_RNA)
where:
Base-Base interactions energy: -405.840
where: short stacking energy: -216.887
Base-Backbone interact. energy: 1.422
local terms energy: -357.056887
where:
bonds (distance) C4'-P energy: -104.862
bonds (distance) P-C4' energy: -113.548
flat angles C4'-P-C4' energy: -82.967
flat angles P-C4'-P energy: -50.849
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -574.758746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.758746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.758746 (E_RNA)
where:
Base-Base interactions energy: -281.630
where: short stacking energy: -169.953
Base-Backbone interact. energy: 5.532
local terms energy: -298.660013
where:
bonds (distance) C4'-P energy: -108.164
bonds (distance) P-C4' energy: -96.311
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -40.367
tors. eta vs tors. theta energy: 0.746
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: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2093.698104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.698104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.698104 (E_RNA)
where:
Base-Base interactions energy: -1454.921
where: short stacking energy: -589.752
Base-Backbone interact. energy: -2.491
local terms energy: -636.286513
where:
bonds (distance) C4'-P energy: -118.234
bonds (distance) P-C4' energy: -111.409
flat angles C4'-P-C4' energy: -138.945
flat angles P-C4'-P energy: -87.167
tors. eta vs tors. theta energy: -180.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2011.398388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.398388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.398388 (E_RNA)
where:
Base-Base interactions energy: -1405.957
where: short stacking energy: -564.167
Base-Backbone interact. energy: -2.846
local terms energy: -602.595603
where:
bonds (distance) C4'-P energy: -107.280
bonds (distance) P-C4' energy: -111.769
flat angles C4'-P-C4' energy: -129.619
flat angles P-C4'-P energy: -89.681
tors. eta vs tors. theta energy: -164.247
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: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1898.919339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.919339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.919339 (E_RNA)
where:
Base-Base interactions energy: -1315.205
where: short stacking energy: -539.417
Base-Backbone interact. energy: -4.854
local terms energy: -578.860451
where:
bonds (distance) C4'-P energy: -113.852
bonds (distance) P-C4' energy: -110.365
flat angles C4'-P-C4' energy: -133.896
flat angles P-C4'-P energy: -77.573
tors. eta vs tors. theta energy: -143.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1850.424419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.424419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.424419 (E_RNA)
where:
Base-Base interactions energy: -1270.019
where: short stacking energy: -544.547
Base-Backbone interact. energy: -5.924
local terms energy: -574.481510
where:
bonds (distance) C4'-P energy: -101.662
bonds (distance) P-C4' energy: -108.674
flat angles C4'-P-C4' energy: -116.437
flat angles P-C4'-P energy: -82.678
tors. eta vs tors. theta energy: -165.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1761.847977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.847977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.847977 (E_RNA)
where:
Base-Base interactions energy: -1199.850
where: short stacking energy: -527.037
Base-Backbone interact. energy: -3.066
local terms energy: -558.931921
where:
bonds (distance) C4'-P energy: -99.236
bonds (distance) P-C4' energy: -94.699
flat angles C4'-P-C4' energy: -131.148
flat angles P-C4'-P energy: -68.844
tors. eta vs tors. theta energy: -165.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1595.721011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.721011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.721011 (E_RNA)
where:
Base-Base interactions energy: -1099.167
where: short stacking energy: -446.420
Base-Backbone interact. energy: 0.065
local terms energy: -496.619181
where:
bonds (distance) C4'-P energy: -101.025
bonds (distance) P-C4' energy: -111.867
flat angles C4'-P-C4' energy: -96.932
flat angles P-C4'-P energy: -71.671
tors. eta vs tors. theta energy: -115.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1281.679240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.679240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.679240 (E_RNA)
where:
Base-Base interactions energy: -821.515
where: short stacking energy: -386.738
Base-Backbone interact. energy: -0.308
local terms energy: -459.856626
where:
bonds (distance) C4'-P energy: -107.350
bonds (distance) P-C4' energy: -104.453
flat angles C4'-P-C4' energy: -111.841
flat angles P-C4'-P energy: -53.745
tors. eta vs tors. theta energy: -82.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1006.711144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.711144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.711144 (E_RNA)
where:
Base-Base interactions energy: -630.572
where: short stacking energy: -283.740
Base-Backbone interact. energy: -1.253
local terms energy: -374.886077
where:
bonds (distance) C4'-P energy: -81.757
bonds (distance) P-C4' energy: -104.747
flat angles C4'-P-C4' energy: -89.470
flat angles P-C4'-P energy: -50.080
tors. eta vs tors. theta energy: -48.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -670.747615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.747615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.747615 (E_RNA)
where:
Base-Base interactions energy: -347.450
where: short stacking energy: -199.308
Base-Backbone interact. energy: -2.697
local terms energy: -320.601325
where:
bonds (distance) C4'-P energy: -103.236
bonds (distance) P-C4' energy: -81.414
flat angles C4'-P-C4' energy: -97.673
flat angles P-C4'-P energy: -48.339
tors. eta vs tors. theta energy: 10.061
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: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -560.937839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.937839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.937839 (E_RNA)
where:
Base-Base interactions energy: -229.526
where: short stacking energy: -141.179
Base-Backbone interact. energy: 2.991
local terms energy: -334.403209
where:
bonds (distance) C4'-P energy: -97.752
bonds (distance) P-C4' energy: -103.315
flat angles C4'-P-C4' energy: -93.508
flat angles P-C4'-P energy: -47.994
tors. eta vs tors. theta energy: 8.165
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: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2097.435694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.435694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.435694 (E_RNA)
where:
Base-Base interactions energy: -1452.509
where: short stacking energy: -606.916
Base-Backbone interact. energy: 2.547
local terms energy: -647.473799
where:
bonds (distance) C4'-P energy: -122.754
bonds (distance) P-C4' energy: -127.985
flat angles C4'-P-C4' energy: -128.173
flat angles P-C4'-P energy: -86.544
tors. eta vs tors. theta energy: -182.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2010.782444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.782444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.782444 (E_RNA)
where:
Base-Base interactions energy: -1376.973
where: short stacking energy: -560.930
Base-Backbone interact. energy: -4.629
local terms energy: -629.180682
where:
bonds (distance) C4'-P energy: -119.917
bonds (distance) P-C4' energy: -122.415
flat angles C4'-P-C4' energy: -125.215
flat angles P-C4'-P energy: -99.121
tors. eta vs tors. theta energy: -162.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1895.196793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.196793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.196793 (E_RNA)
where:
Base-Base interactions energy: -1318.039
where: short stacking energy: -538.209
Base-Backbone interact. energy: -1.522
local terms energy: -575.636365
where:
bonds (distance) C4'-P energy: -98.658
bonds (distance) P-C4' energy: -116.034
flat angles C4'-P-C4' energy: -133.493
flat angles P-C4'-P energy: -72.978
tors. eta vs tors. theta energy: -154.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1826.733355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.733355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.733355 (E_RNA)
where:
Base-Base interactions energy: -1259.286
where: short stacking energy: -530.623
Base-Backbone interact. energy: -3.421
local terms energy: -564.026302
where:
bonds (distance) C4'-P energy: -97.745
bonds (distance) P-C4' energy: -107.632
flat angles C4'-P-C4' energy: -113.879
flat angles P-C4'-P energy: -81.412
tors. eta vs tors. theta energy: -163.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1757.637614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.637614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.637614 (E_RNA)
where:
Base-Base interactions energy: -1184.539
where: short stacking energy: -525.571
Base-Backbone interact. energy: -0.760
local terms energy: -572.338244
where:
bonds (distance) C4'-P energy: -97.144
bonds (distance) P-C4' energy: -116.650
flat angles C4'-P-C4' energy: -115.981
flat angles P-C4'-P energy: -74.511
tors. eta vs tors. theta energy: -168.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1603.991896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.991896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.991896 (E_RNA)
where:
Base-Base interactions energy: -1096.102
where: short stacking energy: -446.609
Base-Backbone interact. energy: 1.455
local terms energy: -509.345399
where:
bonds (distance) C4'-P energy: -93.734
bonds (distance) P-C4' energy: -95.778
flat angles C4'-P-C4' energy: -118.328
flat angles P-C4'-P energy: -83.068
tors. eta vs tors. theta energy: -118.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1300.085037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.085037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.085037 (E_RNA)
where:
Base-Base interactions energy: -845.315
where: short stacking energy: -373.999
Base-Backbone interact. energy: -2.226
local terms energy: -452.544120
where:
bonds (distance) C4'-P energy: -74.145
bonds (distance) P-C4' energy: -107.556
flat angles C4'-P-C4' energy: -98.552
flat angles P-C4'-P energy: -69.034
tors. eta vs tors. theta energy: -103.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1067.504291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.504291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.504291 (E_RNA)
where:
Base-Base interactions energy: -670.589
where: short stacking energy: -300.934
Base-Backbone interact. energy: -1.460
local terms energy: -395.454547
where:
bonds (distance) C4'-P energy: -100.233
bonds (distance) P-C4' energy: -84.502
flat angles C4'-P-C4' energy: -98.970
flat angles P-C4'-P energy: -61.788
tors. eta vs tors. theta energy: -49.960
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: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -632.091896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.091896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.091896 (E_RNA)
where:
Base-Base interactions energy: -282.941
where: short stacking energy: -166.325
Base-Backbone interact. energy: -0.725
local terms energy: -348.426198
where:
bonds (distance) C4'-P energy: -103.696
bonds (distance) P-C4' energy: -102.891
flat angles C4'-P-C4' energy: -77.587
flat angles P-C4'-P energy: -54.458
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -572.884352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.884352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.884352 (E_RNA)
where:
Base-Base interactions energy: -253.818
where: short stacking energy: -172.770
Base-Backbone interact. energy: -5.606
local terms energy: -313.459590
where:
bonds (distance) C4'-P energy: -92.526
bonds (distance) P-C4' energy: -92.207
flat angles C4'-P-C4' energy: -80.734
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: 5.785
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: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2044.292161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.292161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.292161 (E_RNA)
where:
Base-Base interactions energy: -1430.174
where: short stacking energy: -581.465
Base-Backbone interact. energy: -4.353
local terms energy: -609.765869
where:
bonds (distance) C4'-P energy: -100.776
bonds (distance) P-C4' energy: -125.143
flat angles C4'-P-C4' energy: -127.232
flat angles P-C4'-P energy: -83.078
tors. eta vs tors. theta energy: -173.536
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: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2024.673167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.673167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.673167 (E_RNA)
where:
Base-Base interactions energy: -1417.321
where: short stacking energy: -557.123
Base-Backbone interact. energy: -4.489
local terms energy: -602.862793
where:
bonds (distance) C4'-P energy: -107.132
bonds (distance) P-C4' energy: -117.826
flat angles C4'-P-C4' energy: -136.771
flat angles P-C4'-P energy: -81.759
tors. eta vs tors. theta energy: -159.375
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: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1921.920542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.920542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.920542 (E_RNA)
where:
Base-Base interactions energy: -1339.858
where: short stacking energy: -550.443
Base-Backbone interact. energy: 0.971
local terms energy: -583.033608
where:
bonds (distance) C4'-P energy: -100.749
bonds (distance) P-C4' energy: -110.466
flat angles C4'-P-C4' energy: -130.337
flat angles P-C4'-P energy: -90.349
tors. eta vs tors. theta energy: -151.134
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: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1835.123243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.123243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.123243 (E_RNA)
where:
Base-Base interactions energy: -1267.196
where: short stacking energy: -558.532
Base-Backbone interact. energy: -1.744
local terms energy: -566.183258
where:
bonds (distance) C4'-P energy: -93.862
bonds (distance) P-C4' energy: -116.966
flat angles C4'-P-C4' energy: -120.058
flat angles P-C4'-P energy: -76.453
tors. eta vs tors. theta energy: -158.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1761.372813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.372813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.372813 (E_RNA)
where:
Base-Base interactions energy: -1176.365
where: short stacking energy: -507.347
Base-Backbone interact. energy: -1.429
local terms energy: -583.579477
where:
bonds (distance) C4'-P energy: -98.378
bonds (distance) P-C4' energy: -108.250
flat angles C4'-P-C4' energy: -130.111
flat angles P-C4'-P energy: -79.235
tors. eta vs tors. theta energy: -167.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1618.082604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.082604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.082604 (E_RNA)
where:
Base-Base interactions energy: -1108.000
where: short stacking energy: -463.223
Base-Backbone interact. energy: 2.598
local terms energy: -512.679779
where:
bonds (distance) C4'-P energy: -108.537
bonds (distance) P-C4' energy: -96.171
flat angles C4'-P-C4' energy: -124.446
flat angles P-C4'-P energy: -58.626
tors. eta vs tors. theta energy: -124.899
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: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1257.540270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.540270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.540270 (E_RNA)
where:
Base-Base interactions energy: -814.863
where: short stacking energy: -355.712
Base-Backbone interact. energy: -2.127
local terms energy: -440.550669
where:
bonds (distance) C4'-P energy: -101.579
bonds (distance) P-C4' energy: -94.691
flat angles C4'-P-C4' energy: -106.718
flat angles P-C4'-P energy: -68.112
tors. eta vs tors. theta energy: -69.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1113.069810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.069810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.069810 (E_RNA)
where:
Base-Base interactions energy: -712.709
where: short stacking energy: -308.806
Base-Backbone interact. energy: -1.034
local terms energy: -399.326610
where:
bonds (distance) C4'-P energy: -93.953
bonds (distance) P-C4' energy: -91.340
flat angles C4'-P-C4' energy: -100.629
flat angles P-C4'-P energy: -60.259
tors. eta vs tors. theta energy: -53.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -640.622517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.622517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.622517 (E_RNA)
where:
Base-Base interactions energy: -314.366
where: short stacking energy: -173.202
Base-Backbone interact. energy: -2.143
local terms energy: -324.113320
where:
bonds (distance) C4'-P energy: -81.614
bonds (distance) P-C4' energy: -106.395
flat angles C4'-P-C4' energy: -72.752
flat angles P-C4'-P energy: -62.376
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -566.388176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.388176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.388176 (E_RNA)
where:
Base-Base interactions energy: -246.775
where: short stacking energy: -170.479
Base-Backbone interact. energy: 4.238
local terms energy: -323.850765
where:
bonds (distance) C4'-P energy: -96.561
bonds (distance) P-C4' energy: -96.250
flat angles C4'-P-C4' energy: -71.338
flat angles P-C4'-P energy: -64.240
tors. eta vs tors. theta energy: 4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2063.976357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.976357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.976357 (E_RNA)
where:
Base-Base interactions energy: -1441.655
where: short stacking energy: -574.273
Base-Backbone interact. energy: -2.429
local terms energy: -619.892419
where:
bonds (distance) C4'-P energy: -96.843
bonds (distance) P-C4' energy: -124.424
flat angles C4'-P-C4' energy: -133.575
flat angles P-C4'-P energy: -85.187
tors. eta vs tors. theta energy: -179.863
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: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2007.727871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.727871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.727871 (E_RNA)
where:
Base-Base interactions energy: -1400.633
where: short stacking energy: -566.855
Base-Backbone interact. energy: -3.186
local terms energy: -603.909559
where:
bonds (distance) C4'-P energy: -94.948
bonds (distance) P-C4' energy: -107.139
flat angles C4'-P-C4' energy: -137.965
flat angles P-C4'-P energy: -94.959
tors. eta vs tors. theta energy: -168.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1923.573772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.573772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.573772 (E_RNA)
where:
Base-Base interactions energy: -1344.215
where: short stacking energy: -529.888
Base-Backbone interact. energy: -1.852
local terms energy: -577.506398
where:
bonds (distance) C4'-P energy: -114.385
bonds (distance) P-C4' energy: -91.614
flat angles C4'-P-C4' energy: -123.522
flat angles P-C4'-P energy: -86.275
tors. eta vs tors. theta energy: -161.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1826.644252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.644252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.644252 (E_RNA)
where:
Base-Base interactions energy: -1237.835
where: short stacking energy: -520.404
Base-Backbone interact. energy: -5.896
local terms energy: -582.913428
where:
bonds (distance) C4'-P energy: -99.013
bonds (distance) P-C4' energy: -123.026
flat angles C4'-P-C4' energy: -126.471
flat angles P-C4'-P energy: -86.811
tors. eta vs tors. theta energy: -147.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1735.178390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.178390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.178390 (E_RNA)
where:
Base-Base interactions energy: -1162.245
where: short stacking energy: -516.777
Base-Backbone interact. energy: -0.164
local terms energy: -572.768818
where:
bonds (distance) C4'-P energy: -100.478
bonds (distance) P-C4' energy: -106.147
flat angles C4'-P-C4' energy: -118.476
flat angles P-C4'-P energy: -81.306
tors. eta vs tors. theta energy: -166.362
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: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1662.560539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.560539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.560539 (E_RNA)
where:
Base-Base interactions energy: -1142.425
where: short stacking energy: -482.751
Base-Backbone interact. energy: -2.528
local terms energy: -517.608412
where:
bonds (distance) C4'-P energy: -88.035
bonds (distance) P-C4' energy: -104.027
flat angles C4'-P-C4' energy: -116.795
flat angles P-C4'-P energy: -72.912
tors. eta vs tors. theta energy: -135.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1282.082523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.082523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.082523 (E_RNA)
where:
Base-Base interactions energy: -819.211
where: short stacking energy: -394.576
Base-Backbone interact. energy: 0.327
local terms energy: -463.198765
where:
bonds (distance) C4'-P energy: -109.620
bonds (distance) P-C4' energy: -95.769
flat angles C4'-P-C4' energy: -94.948
flat angles P-C4'-P energy: -76.807
tors. eta vs tors. theta energy: -86.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1153.567114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.567114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.567114 (E_RNA)
where:
Base-Base interactions energy: -745.778
where: short stacking energy: -348.999
Base-Backbone interact. energy: -3.100
local terms energy: -404.689518
where:
bonds (distance) C4'-P energy: -87.565
bonds (distance) P-C4' energy: -95.767
flat angles C4'-P-C4' energy: -92.868
flat angles P-C4'-P energy: -61.187
tors. eta vs tors. theta energy: -67.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -641.655213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.655213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.655213 (E_RNA)
where:
Base-Base interactions energy: -286.175
where: short stacking energy: -151.584
Base-Backbone interact. energy: -0.760
local terms energy: -354.719541
where:
bonds (distance) C4'-P energy: -88.979
bonds (distance) P-C4' energy: -117.388
flat angles C4'-P-C4' energy: -90.899
flat angles P-C4'-P energy: -55.990
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -607.873194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.873194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.873194 (E_RNA)
where:
Base-Base interactions energy: -263.295
where: short stacking energy: -159.793
Base-Backbone interact. energy: -2.572
local terms energy: -342.006818
where:
bonds (distance) C4'-P energy: -89.809
bonds (distance) P-C4' energy: -93.494
flat angles C4'-P-C4' energy: -89.499
flat angles P-C4'-P energy: -53.292
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2045.519838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.519838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.519838 (E_RNA)
where:
Base-Base interactions energy: -1434.971
where: short stacking energy: -569.601
Base-Backbone interact. energy: -2.889
local terms energy: -607.659209
where:
bonds (distance) C4'-P energy: -120.185
bonds (distance) P-C4' energy: -116.049
flat angles C4'-P-C4' energy: -124.835
flat angles P-C4'-P energy: -85.409
tors. eta vs tors. theta energy: -161.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2031.847971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.847971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.847971 (E_RNA)
where:
Base-Base interactions energy: -1415.140
where: short stacking energy: -590.456
Base-Backbone interact. energy: 1.479
local terms energy: -618.186657
where:
bonds (distance) C4'-P energy: -98.968
bonds (distance) P-C4' energy: -113.687
flat angles C4'-P-C4' energy: -125.647
flat angles P-C4'-P energy: -97.676
tors. eta vs tors. theta energy: -182.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1876.652834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.652834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.652834 (E_RNA)
where:
Base-Base interactions energy: -1285.526
where: short stacking energy: -563.857
Base-Backbone interact. energy: 0.756
local terms energy: -591.883537
where:
bonds (distance) C4'-P energy: -108.197
bonds (distance) P-C4' energy: -109.622
flat angles C4'-P-C4' energy: -126.255
flat angles P-C4'-P energy: -79.409
tors. eta vs tors. theta energy: -168.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1847.213218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.213218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.213218 (E_RNA)
where:
Base-Base interactions energy: -1275.455
where: short stacking energy: -527.584
Base-Backbone interact. energy: -3.823
local terms energy: -567.935502
where:
bonds (distance) C4'-P energy: -101.512
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -121.864
flat angles P-C4'-P energy: -86.363
tors. eta vs tors. theta energy: -151.894
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: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1768.005721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.005721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.005721 (E_RNA)
where:
Base-Base interactions energy: -1198.902
where: short stacking energy: -536.066
Base-Backbone interact. energy: -0.413
local terms energy: -568.690430
where:
bonds (distance) C4'-P energy: -92.778
bonds (distance) P-C4' energy: -112.491
flat angles C4'-P-C4' energy: -115.567
flat angles P-C4'-P energy: -85.253
tors. eta vs tors. theta energy: -162.601
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: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1617.819358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.819358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.819358 (E_RNA)
where:
Base-Base interactions energy: -1096.336
where: short stacking energy: -474.373
Base-Backbone interact. energy: -2.110
local terms energy: -519.373194
where:
bonds (distance) C4'-P energy: -91.463
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -112.750
flat angles P-C4'-P energy: -80.066
tors. eta vs tors. theta energy: -121.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1296.856100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.856100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.856100 (E_RNA)
where:
Base-Base interactions energy: -848.908
where: short stacking energy: -379.170
Base-Backbone interact. energy: -0.560
local terms energy: -447.388159
where:
bonds (distance) C4'-P energy: -92.878
bonds (distance) P-C4' energy: -113.483
flat angles C4'-P-C4' energy: -97.861
flat angles P-C4'-P energy: -66.616
tors. eta vs tors. theta energy: -76.550
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: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1119.823609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.823609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.823609 (E_RNA)
where:
Base-Base interactions energy: -732.299
where: short stacking energy: -312.492
Base-Backbone interact. energy: 3.313
local terms energy: -390.837029
where:
bonds (distance) C4'-P energy: -87.909
bonds (distance) P-C4' energy: -99.307
flat angles C4'-P-C4' energy: -91.030
flat angles P-C4'-P energy: -66.924
tors. eta vs tors. theta energy: -45.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -638.585237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.585237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.585237 (E_RNA)
where:
Base-Base interactions energy: -305.829
where: short stacking energy: -169.710
Base-Backbone interact. energy: -2.079
local terms energy: -330.676805
where:
bonds (distance) C4'-P energy: -86.269
bonds (distance) P-C4' energy: -111.911
flat angles C4'-P-C4' energy: -83.586
flat angles P-C4'-P energy: -53.095
tors. eta vs tors. theta energy: 4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -565.117384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.117384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.117384 (E_RNA)
where:
Base-Base interactions energy: -273.911
where: short stacking energy: -159.898
Base-Backbone interact. energy: -0.304
local terms energy: -290.901544
where:
bonds (distance) C4'-P energy: -82.093
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -70.352
flat angles P-C4'-P energy: -50.307
tors. eta vs tors. theta energy: 5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2060.127194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.127194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.127194 (E_RNA)
where:
Base-Base interactions energy: -1431.408
where: short stacking energy: -582.876
Base-Backbone interact. energy: 1.007
local terms energy: -629.726482
where:
bonds (distance) C4'-P energy: -127.098
bonds (distance) P-C4' energy: -120.573
flat angles C4'-P-C4' energy: -123.887
flat angles P-C4'-P energy: -82.820
tors. eta vs tors. theta energy: -175.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2011.839260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.839260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.839260 (E_RNA)
where:
Base-Base interactions energy: -1386.589
where: short stacking energy: -567.818
Base-Backbone interact. energy: -1.951
local terms energy: -623.299414
where:
bonds (distance) C4'-P energy: -112.636
bonds (distance) P-C4' energy: -119.555
flat angles C4'-P-C4' energy: -133.183
flat angles P-C4'-P energy: -92.996
tors. eta vs tors. theta energy: -164.930
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: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1891.368219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.368219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.368219 (E_RNA)
where:
Base-Base interactions energy: -1301.904
where: short stacking energy: -560.109
Base-Backbone interact. energy: -2.402
local terms energy: -587.061579
where:
bonds (distance) C4'-P energy: -104.716
bonds (distance) P-C4' energy: -110.424
flat angles C4'-P-C4' energy: -128.535
flat angles P-C4'-P energy: -87.749
tors. eta vs tors. theta energy: -155.638
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: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1844.895937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.895937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.895937 (E_RNA)
where:
Base-Base interactions energy: -1261.505
where: short stacking energy: -533.097
Base-Backbone interact. energy: -3.540
local terms energy: -579.851181
where:
bonds (distance) C4'-P energy: -110.939
bonds (distance) P-C4' energy: -113.622
flat angles C4'-P-C4' energy: -129.837
flat angles P-C4'-P energy: -65.915
tors. eta vs tors. theta energy: -159.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1761.318135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.318135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.318135 (E_RNA)
where:
Base-Base interactions energy: -1176.698
where: short stacking energy: -540.069
Base-Backbone interact. energy: -2.307
local terms energy: -582.313131
where:
bonds (distance) C4'-P energy: -91.091
bonds (distance) P-C4' energy: -112.354
flat angles C4'-P-C4' energy: -131.767
flat angles P-C4'-P energy: -94.049
tors. eta vs tors. theta energy: -153.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1551.668293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.668293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.668293 (E_RNA)
where:
Base-Base interactions energy: -1051.795
where: short stacking energy: -440.819
Base-Backbone interact. energy: -1.366
local terms energy: -498.507878
where:
bonds (distance) C4'-P energy: -101.786
bonds (distance) P-C4' energy: -102.321
flat angles C4'-P-C4' energy: -123.486
flat angles P-C4'-P energy: -52.271
tors. eta vs tors. theta energy: -118.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1339.579804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.579804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.579804 (E_RNA)
where:
Base-Base interactions energy: -863.138
where: short stacking energy: -380.038
Base-Backbone interact. energy: -0.334
local terms energy: -476.107749
where:
bonds (distance) C4'-P energy: -95.137
bonds (distance) P-C4' energy: -105.805
flat angles C4'-P-C4' energy: -113.378
flat angles P-C4'-P energy: -69.010
tors. eta vs tors. theta energy: -92.778
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: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1135.945145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.945145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.945145 (E_RNA)
where:
Base-Base interactions energy: -707.430
where: short stacking energy: -303.951
Base-Backbone interact. energy: -3.480
local terms energy: -425.034998
where:
bonds (distance) C4'-P energy: -101.004
bonds (distance) P-C4' energy: -105.030
flat angles C4'-P-C4' energy: -94.356
flat angles P-C4'-P energy: -70.313
tors. eta vs tors. theta energy: -54.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -594.591222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.591222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.591222 (E_RNA)
where:
Base-Base interactions energy: -281.172
where: short stacking energy: -178.111
Base-Backbone interact. energy: 2.124
local terms energy: -315.543055
where:
bonds (distance) C4'-P energy: -94.243
bonds (distance) P-C4' energy: -82.886
flat angles C4'-P-C4' energy: -83.132
flat angles P-C4'-P energy: -58.235
tors. eta vs tors. theta energy: 2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -555.884987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.884987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.884987 (E_RNA)
where:
Base-Base interactions energy: -237.796
where: short stacking energy: -168.771
Base-Backbone interact. energy: -0.738
local terms energy: -317.351181
where:
bonds (distance) C4'-P energy: -108.867
bonds (distance) P-C4' energy: -74.570
flat angles C4'-P-C4' energy: -82.180
flat angles P-C4'-P energy: -58.525
tors. eta vs tors. theta energy: 6.791
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: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2059.682155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.682155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.682155 (E_RNA)
where:
Base-Base interactions energy: -1440.279
where: short stacking energy: -603.305
Base-Backbone interact. energy: -1.866
local terms energy: -617.536982
where:
bonds (distance) C4'-P energy: -110.925
bonds (distance) P-C4' energy: -117.298
flat angles C4'-P-C4' energy: -120.145
flat angles P-C4'-P energy: -94.966
tors. eta vs tors. theta energy: -174.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2006.344702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.344702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.344702 (E_RNA)
where:
Base-Base interactions energy: -1390.172
where: short stacking energy: -556.512
Base-Backbone interact. energy: 0.957
local terms energy: -617.129893
where:
bonds (distance) C4'-P energy: -127.339
bonds (distance) P-C4' energy: -103.043
flat angles C4'-P-C4' energy: -128.321
flat angles P-C4'-P energy: -94.211
tors. eta vs tors. theta energy: -164.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1870.714379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.714379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.714379 (E_RNA)
where:
Base-Base interactions energy: -1278.474
where: short stacking energy: -546.942
Base-Backbone interact. energy: -2.912
local terms energy: -589.327942
where:
bonds (distance) C4'-P energy: -120.965
bonds (distance) P-C4' energy: -104.487
flat angles C4'-P-C4' energy: -127.782
flat angles P-C4'-P energy: -75.772
tors. eta vs tors. theta energy: -160.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1808.742538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.742538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.742538 (E_RNA)
where:
Base-Base interactions energy: -1214.753
where: short stacking energy: -541.415
Base-Backbone interact. energy: -0.132
local terms energy: -593.856924
where:
bonds (distance) C4'-P energy: -106.270
bonds (distance) P-C4' energy: -109.931
flat angles C4'-P-C4' energy: -129.501
flat angles P-C4'-P energy: -86.383
tors. eta vs tors. theta energy: -161.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1779.038668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.038668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.038668 (E_RNA)
where:
Base-Base interactions energy: -1222.938
where: short stacking energy: -498.264
Base-Backbone interact. energy: -0.164
local terms energy: -555.936796
where:
bonds (distance) C4'-P energy: -103.853
bonds (distance) P-C4' energy: -108.421
flat angles C4'-P-C4' energy: -127.491
flat angles P-C4'-P energy: -73.057
tors. eta vs tors. theta energy: -143.115
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: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1552.615380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.615380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.615380 (E_RNA)
where:
Base-Base interactions energy: -1049.081
where: short stacking energy: -445.278
Base-Backbone interact. energy: 2.021
local terms energy: -505.555016
where:
bonds (distance) C4'-P energy: -100.531
bonds (distance) P-C4' energy: -107.051
flat angles C4'-P-C4' energy: -111.136
flat angles P-C4'-P energy: -63.705
tors. eta vs tors. theta energy: -123.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1324.922445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.922445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.922445 (E_RNA)
where:
Base-Base interactions energy: -867.890
where: short stacking energy: -387.635
Base-Backbone interact. energy: -3.514
local terms energy: -453.518689
where:
bonds (distance) C4'-P energy: -95.460
bonds (distance) P-C4' energy: -91.710
flat angles C4'-P-C4' energy: -94.762
flat angles P-C4'-P energy: -74.531
tors. eta vs tors. theta energy: -97.056
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: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1184.476435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.476435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.476435 (E_RNA)
where:
Base-Base interactions energy: -741.490
where: short stacking energy: -338.025
Base-Backbone interact. energy: 2.063
local terms energy: -445.049827
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -109.624
flat angles C4'-P-C4' energy: -94.951
flat angles P-C4'-P energy: -55.398
tors. eta vs tors. theta energy: -75.005
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: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -549.064099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.064099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.064099 (E_RNA)
where:
Base-Base interactions energy: -235.371
where: short stacking energy: -138.475
Base-Backbone interact. energy: -1.428
local terms energy: -312.264321
where:
bonds (distance) C4'-P energy: -95.992
bonds (distance) P-C4' energy: -109.547
flat angles C4'-P-C4' energy: -68.795
flat angles P-C4'-P energy: -60.758
tors. eta vs tors. theta energy: 22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -532.391483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.391483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.391483 (E_RNA)
where:
Base-Base interactions energy: -258.700
where: short stacking energy: -151.844
Base-Backbone interact. energy: -0.096
local terms energy: -273.594996
where:
bonds (distance) C4'-P energy: -73.580
bonds (distance) P-C4' energy: -87.043
flat angles C4'-P-C4' energy: -82.809
flat angles P-C4'-P energy: -39.689
tors. eta vs tors. theta energy: 9.525
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: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2078.610036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.610036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.610036 (E_RNA)
where:
Base-Base interactions energy: -1442.711
where: short stacking energy: -589.599
Base-Backbone interact. energy: -0.791
local terms energy: -635.107808
where:
bonds (distance) C4'-P energy: -117.542
bonds (distance) P-C4' energy: -116.537
flat angles C4'-P-C4' energy: -130.172
flat angles P-C4'-P energy: -102.563
tors. eta vs tors. theta energy: -168.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2036.829503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.829503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.829503 (E_RNA)
where:
Base-Base interactions energy: -1433.455
where: short stacking energy: -590.627
Base-Backbone interact. energy: -1.738
local terms energy: -601.636557
where:
bonds (distance) C4'-P energy: -112.553
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -130.724
flat angles P-C4'-P energy: -79.011
tors. eta vs tors. theta energy: -178.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1914.928583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.928583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.928583 (E_RNA)
where:
Base-Base interactions energy: -1329.811
where: short stacking energy: -555.308
Base-Backbone interact. energy: -1.016
local terms energy: -584.101246
where:
bonds (distance) C4'-P energy: -109.141
bonds (distance) P-C4' energy: -110.609
flat angles C4'-P-C4' energy: -128.147
flat angles P-C4'-P energy: -75.622
tors. eta vs tors. theta energy: -160.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1839.105424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.105424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.105424 (E_RNA)
where:
Base-Base interactions energy: -1236.749
where: short stacking energy: -552.017
Base-Backbone interact. energy: -1.964
local terms energy: -600.393360
where:
bonds (distance) C4'-P energy: -110.474
bonds (distance) P-C4' energy: -106.915
flat angles C4'-P-C4' energy: -116.831
flat angles P-C4'-P energy: -86.765
tors. eta vs tors. theta energy: -179.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1762.406127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.406127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.406127 (E_RNA)
where:
Base-Base interactions energy: -1210.369
where: short stacking energy: -497.405
Base-Backbone interact. energy: -0.051
local terms energy: -551.986030
where:
bonds (distance) C4'-P energy: -113.834
bonds (distance) P-C4' energy: -106.940
flat angles C4'-P-C4' energy: -112.572
flat angles P-C4'-P energy: -64.445
tors. eta vs tors. theta energy: -154.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1628.012345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.012345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.012345 (E_RNA)
where:
Base-Base interactions energy: -1087.294
where: short stacking energy: -461.506
Base-Backbone interact. energy: -0.978
local terms energy: -539.739466
where:
bonds (distance) C4'-P energy: -102.993
bonds (distance) P-C4' energy: -108.217
flat angles C4'-P-C4' energy: -109.504
flat angles P-C4'-P energy: -80.859
tors. eta vs tors. theta energy: -138.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1338.922971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.922971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.922971 (E_RNA)
where:
Base-Base interactions energy: -889.398
where: short stacking energy: -382.047
Base-Backbone interact. energy: 0.184
local terms energy: -449.709816
where:
bonds (distance) C4'-P energy: -100.319
bonds (distance) P-C4' energy: -84.989
flat angles C4'-P-C4' energy: -123.438
flat angles P-C4'-P energy: -45.497
tors. eta vs tors. theta energy: -95.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1187.694477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.694477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.694477 (E_RNA)
where:
Base-Base interactions energy: -758.589
where: short stacking energy: -352.007
Base-Backbone interact. energy: 2.924
local terms energy: -432.029435
where:
bonds (distance) C4'-P energy: -105.080
bonds (distance) P-C4' energy: -90.517
flat angles C4'-P-C4' energy: -106.457
flat angles P-C4'-P energy: -56.568
tors. eta vs tors. theta energy: -73.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -635.061258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.061258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.061258 (E_RNA)
where:
Base-Base interactions energy: -308.936
where: short stacking energy: -185.971
Base-Backbone interact. energy: 3.265
local terms energy: -329.389455
where:
bonds (distance) C4'-P energy: -70.988
bonds (distance) P-C4' energy: -113.908
flat angles C4'-P-C4' energy: -78.408
flat angles P-C4'-P energy: -49.190
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -483.888370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.888370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.888370 (E_RNA)
where:
Base-Base interactions energy: -196.187
where: short stacking energy: -133.184
Base-Backbone interact. energy: -2.039
local terms energy: -285.662646
where:
bonds (distance) C4'-P energy: -84.816
bonds (distance) P-C4' energy: -93.415
flat angles C4'-P-C4' energy: -71.149
flat angles P-C4'-P energy: -50.764
tors. eta vs tors. theta energy: 14.481
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: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2064.274298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.274298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.274298 (E_RNA)
where:
Base-Base interactions energy: -1427.198
where: short stacking energy: -587.690
Base-Backbone interact. energy: -2.701
local terms energy: -634.375323
where:
bonds (distance) C4'-P energy: -111.555
bonds (distance) P-C4' energy: -119.653
flat angles C4'-P-C4' energy: -138.909
flat angles P-C4'-P energy: -96.007
tors. eta vs tors. theta energy: -168.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2026.618758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.618758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.618758 (E_RNA)
where:
Base-Base interactions energy: -1392.686
where: short stacking energy: -591.857
Base-Backbone interact. energy: -2.955
local terms energy: -630.977674
where:
bonds (distance) C4'-P energy: -111.273
bonds (distance) P-C4' energy: -115.321
flat angles C4'-P-C4' energy: -125.902
flat angles P-C4'-P energy: -95.648
tors. eta vs tors. theta energy: -182.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1897.537174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.537174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.537174 (E_RNA)
where:
Base-Base interactions energy: -1295.120
where: short stacking energy: -570.118
Base-Backbone interact. energy: -1.126
local terms energy: -601.291137
where:
bonds (distance) C4'-P energy: -113.535
bonds (distance) P-C4' energy: -101.277
flat angles C4'-P-C4' energy: -136.196
flat angles P-C4'-P energy: -88.980
tors. eta vs tors. theta energy: -161.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1782.028254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.028254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.028254 (E_RNA)
where:
Base-Base interactions energy: -1203.310
where: short stacking energy: -504.758
Base-Backbone interact. energy: 1.892
local terms energy: -580.610470
where:
bonds (distance) C4'-P energy: -116.561
bonds (distance) P-C4' energy: -114.408
flat angles C4'-P-C4' energy: -117.418
flat angles P-C4'-P energy: -76.194
tors. eta vs tors. theta energy: -156.030
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: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1779.970736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.970736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.970736 (E_RNA)
where:
Base-Base interactions energy: -1191.567
where: short stacking energy: -537.086
Base-Backbone interact. energy: 3.058
local terms energy: -591.461471
where:
bonds (distance) C4'-P energy: -94.525
bonds (distance) P-C4' energy: -120.095
flat angles C4'-P-C4' energy: -133.858
flat angles P-C4'-P energy: -88.757
tors. eta vs tors. theta energy: -154.226
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: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1642.420858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.420858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.420858 (E_RNA)
where:
Base-Base interactions energy: -1116.724
where: short stacking energy: -478.482
Base-Backbone interact. energy: 0.685
local terms energy: -526.381502
where:
bonds (distance) C4'-P energy: -103.398
bonds (distance) P-C4' energy: -103.539
flat angles C4'-P-C4' energy: -122.786
flat angles P-C4'-P energy: -71.816
tors. eta vs tors. theta energy: -124.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1357.184591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.184591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.184591 (E_RNA)
where:
Base-Base interactions energy: -887.659
where: short stacking energy: -404.315
Base-Backbone interact. energy: -2.527
local terms energy: -466.997933
where:
bonds (distance) C4'-P energy: -97.317
bonds (distance) P-C4' energy: -101.827
flat angles C4'-P-C4' energy: -102.114
flat angles P-C4'-P energy: -59.971
tors. eta vs tors. theta energy: -105.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1210.104394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.104394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.104394 (E_RNA)
where:
Base-Base interactions energy: -806.824
where: short stacking energy: -355.920
Base-Backbone interact. energy: 2.212
local terms energy: -405.491700
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -109.904
flat angles C4'-P-C4' energy: -80.847
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: -74.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -619.988560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.988560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.988560 (E_RNA)
where:
Base-Base interactions energy: -261.546
where: short stacking energy: -173.906
Base-Backbone interact. energy: -0.147
local terms energy: -358.295938
where:
bonds (distance) C4'-P energy: -111.381
bonds (distance) P-C4' energy: -118.872
flat angles C4'-P-C4' energy: -82.702
flat angles P-C4'-P energy: -57.244
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -537.244054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.244054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.244054 (E_RNA)
where:
Base-Base interactions energy: -242.014
where: short stacking energy: -150.996
Base-Backbone interact. energy: 0.629
local terms energy: -295.858849
where:
bonds (distance) C4'-P energy: -72.418
bonds (distance) P-C4' energy: -90.360
flat angles C4'-P-C4' energy: -92.867
flat angles P-C4'-P energy: -52.287
tors. eta vs tors. theta energy: 12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2073.607590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.607590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.607590 (E_RNA)
where:
Base-Base interactions energy: -1441.137
where: short stacking energy: -607.609
Base-Backbone interact. energy: -4.142
local terms energy: -628.328749
where:
bonds (distance) C4'-P energy: -118.353
bonds (distance) P-C4' energy: -119.799
flat angles C4'-P-C4' energy: -132.986
flat angles P-C4'-P energy: -76.681
tors. eta vs tors. theta energy: -180.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2025.218355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.218355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.218355 (E_RNA)
where:
Base-Base interactions energy: -1417.150
where: short stacking energy: -586.875
Base-Backbone interact. energy: -4.535
local terms energy: -603.533602
where:
bonds (distance) C4'-P energy: -96.715
bonds (distance) P-C4' energy: -114.292
flat angles C4'-P-C4' energy: -133.707
flat angles P-C4'-P energy: -88.809
tors. eta vs tors. theta energy: -170.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1878.532217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.532217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.532217 (E_RNA)
where:
Base-Base interactions energy: -1287.961
where: short stacking energy: -538.486
Base-Backbone interact. energy: -3.562
local terms energy: -587.009365
where:
bonds (distance) C4'-P energy: -101.796
bonds (distance) P-C4' energy: -119.220
flat angles C4'-P-C4' energy: -121.635
flat angles P-C4'-P energy: -73.582
tors. eta vs tors. theta energy: -170.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1764.798143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.798143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.798143 (E_RNA)
where:
Base-Base interactions energy: -1240.262
where: short stacking energy: -512.409
Base-Backbone interact. energy: -0.721
local terms energy: -523.814241
where:
bonds (distance) C4'-P energy: -108.771
bonds (distance) P-C4' energy: -101.301
flat angles C4'-P-C4' energy: -107.886
flat angles P-C4'-P energy: -64.020
tors. eta vs tors. theta energy: -141.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1671.199440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.199440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.199440 (E_RNA)
where:
Base-Base interactions energy: -1156.446
where: short stacking energy: -482.169
Base-Backbone interact. energy: 0.093
local terms energy: -514.846734
where:
bonds (distance) C4'-P energy: -84.197
bonds (distance) P-C4' energy: -105.473
flat angles C4'-P-C4' energy: -115.068
flat angles P-C4'-P energy: -68.463
tors. eta vs tors. theta energy: -141.645
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: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1684.186970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.186970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.186970 (E_RNA)
where:
Base-Base interactions energy: -1148.017
where: short stacking energy: -505.024
Base-Backbone interact. energy: 0.367
local terms energy: -536.537241
where:
bonds (distance) C4'-P energy: -88.598
bonds (distance) P-C4' energy: -109.941
flat angles C4'-P-C4' energy: -116.142
flat angles P-C4'-P energy: -78.135
tors. eta vs tors. theta energy: -143.721
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: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1360.454526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.454526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.454526 (E_RNA)
where:
Base-Base interactions energy: -911.225
where: short stacking energy: -420.872
Base-Backbone interact. energy: 4.395
local terms energy: -453.624500
where:
bonds (distance) C4'-P energy: -95.446
bonds (distance) P-C4' energy: -84.777
flat angles C4'-P-C4' energy: -107.971
flat angles P-C4'-P energy: -57.056
tors. eta vs tors. theta energy: -108.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1156.094335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.094335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.094335 (E_RNA)
where:
Base-Base interactions energy: -739.159
where: short stacking energy: -326.347
Base-Backbone interact. energy: 2.330
local terms energy: -419.265168
where:
bonds (distance) C4'-P energy: -102.815
bonds (distance) P-C4' energy: -85.240
flat angles C4'-P-C4' energy: -98.589
flat angles P-C4'-P energy: -62.709
tors. eta vs tors. theta energy: -69.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -598.941326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.941326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.941326 (E_RNA)
where:
Base-Base interactions energy: -285.881
where: short stacking energy: -172.105
Base-Backbone interact. energy: -0.627
local terms energy: -312.433424
where:
bonds (distance) C4'-P energy: -95.973
bonds (distance) P-C4' energy: -100.773
flat angles C4'-P-C4' energy: -79.984
flat angles P-C4'-P energy: -42.018
tors. eta vs tors. theta energy: 6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -469.499209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.499209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.499209 (E_RNA)
where:
Base-Base interactions energy: -193.517
where: short stacking energy: -141.389
Base-Backbone interact. energy: -1.094
local terms energy: -274.888084
where:
bonds (distance) C4'-P energy: -88.529
bonds (distance) P-C4' energy: -101.063
flat angles C4'-P-C4' energy: -48.208
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: 14.569
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: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2067.008903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.008903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.008903 (E_RNA)
where:
Base-Base interactions energy: -1451.107
where: short stacking energy: -604.674
Base-Backbone interact. energy: -4.569
local terms energy: -611.333436
where:
bonds (distance) C4'-P energy: -95.869
bonds (distance) P-C4' energy: -120.786
flat angles C4'-P-C4' energy: -127.871
flat angles P-C4'-P energy: -89.214
tors. eta vs tors. theta energy: -177.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2008.329785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.329785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.329785 (E_RNA)
where:
Base-Base interactions energy: -1392.921
where: short stacking energy: -575.759
Base-Backbone interact. energy: -4.906
local terms energy: -610.502545
where:
bonds (distance) C4'-P energy: -113.569
bonds (distance) P-C4' energy: -117.277
flat angles C4'-P-C4' energy: -132.267
flat angles P-C4'-P energy: -84.460
tors. eta vs tors. theta energy: -162.930
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: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1914.390819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.390819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.390819 (E_RNA)
where:
Base-Base interactions energy: -1321.914
where: short stacking energy: -565.509
Base-Backbone interact. energy: -2.920
local terms energy: -589.557355
where:
bonds (distance) C4'-P energy: -94.908
bonds (distance) P-C4' energy: -117.879
flat angles C4'-P-C4' energy: -127.455
flat angles P-C4'-P energy: -88.384
tors. eta vs tors. theta energy: -160.932
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: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1776.607948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.607948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.607948 (E_RNA)
where:
Base-Base interactions energy: -1201.809
where: short stacking energy: -493.090
Base-Backbone interact. energy: -2.331
local terms energy: -572.467824
where:
bonds (distance) C4'-P energy: -99.244
bonds (distance) P-C4' energy: -121.849
flat angles C4'-P-C4' energy: -127.353
flat angles P-C4'-P energy: -78.655
tors. eta vs tors. theta energy: -145.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1667.305433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.305433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.305433 (E_RNA)
where:
Base-Base interactions energy: -1130.819
where: short stacking energy: -477.020
Base-Backbone interact. energy: 1.677
local terms energy: -538.162989
where:
bonds (distance) C4'-P energy: -104.613
bonds (distance) P-C4' energy: -105.555
flat angles C4'-P-C4' energy: -123.491
flat angles P-C4'-P energy: -75.666
tors. eta vs tors. theta energy: -128.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1683.777724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.777724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.777724 (E_RNA)
where:
Base-Base interactions energy: -1143.470
where: short stacking energy: -474.994
Base-Backbone interact. energy: -0.856
local terms energy: -539.452162
where:
bonds (distance) C4'-P energy: -91.437
bonds (distance) P-C4' energy: -101.379
flat angles C4'-P-C4' energy: -118.801
flat angles P-C4'-P energy: -73.340
tors. eta vs tors. theta energy: -154.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1336.089456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.089456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.089456 (E_RNA)
where:
Base-Base interactions energy: -874.242
where: short stacking energy: -389.052
Base-Backbone interact. energy: -2.977
local terms energy: -458.870770
where:
bonds (distance) C4'-P energy: -92.481
bonds (distance) P-C4' energy: -95.571
flat angles C4'-P-C4' energy: -103.786
flat angles P-C4'-P energy: -75.190
tors. eta vs tors. theta energy: -91.843
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: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1151.239354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.239354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.239354 (E_RNA)
where:
Base-Base interactions energy: -716.154
where: short stacking energy: -332.131
Base-Backbone interact. energy: -1.909
local terms energy: -433.176811
where:
bonds (distance) C4'-P energy: -100.606
bonds (distance) P-C4' energy: -103.685
flat angles C4'-P-C4' energy: -109.732
flat angles P-C4'-P energy: -51.704
tors. eta vs tors. theta energy: -67.451
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: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -701.272768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.272768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.272768 (E_RNA)
where:
Base-Base interactions energy: -338.630
where: short stacking energy: -197.131
Base-Backbone interact. energy: -0.164
local terms energy: -362.478916
where:
bonds (distance) C4'-P energy: -98.727
bonds (distance) P-C4' energy: -115.147
flat angles C4'-P-C4' energy: -91.614
flat angles P-C4'-P energy: -42.332
tors. eta vs tors. theta energy: -14.659
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: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -502.657336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.657336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.657336 (E_RNA)
where:
Base-Base interactions energy: -210.671
where: short stacking energy: -123.125
Base-Backbone interact. energy: -1.433
local terms energy: -290.552934
where:
bonds (distance) C4'-P energy: -85.180
bonds (distance) P-C4' energy: -101.820
flat angles C4'-P-C4' energy: -86.452
flat angles P-C4'-P energy: -37.775
tors. eta vs tors. theta energy: 20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2062.524314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.524314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.524314 (E_RNA)
where:
Base-Base interactions energy: -1421.999
where: short stacking energy: -589.060
Base-Backbone interact. energy: -2.992
local terms energy: -637.533682
where:
bonds (distance) C4'-P energy: -116.784
bonds (distance) P-C4' energy: -116.641
flat angles C4'-P-C4' energy: -131.142
flat angles P-C4'-P energy: -102.651
tors. eta vs tors. theta energy: -170.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2005.615304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.615304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.615304 (E_RNA)
where:
Base-Base interactions energy: -1376.318
where: short stacking energy: -587.268
Base-Backbone interact. energy: -3.485
local terms energy: -625.812528
where:
bonds (distance) C4'-P energy: -115.126
bonds (distance) P-C4' energy: -114.853
flat angles C4'-P-C4' energy: -127.654
flat angles P-C4'-P energy: -93.881
tors. eta vs tors. theta energy: -174.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1937.646305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.646305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.646305 (E_RNA)
where:
Base-Base interactions energy: -1354.552
where: short stacking energy: -575.481
Base-Backbone interact. energy: -0.958
local terms energy: -582.135883
where:
bonds (distance) C4'-P energy: -105.509
bonds (distance) P-C4' energy: -113.399
flat angles C4'-P-C4' energy: -123.647
flat angles P-C4'-P energy: -78.349
tors. eta vs tors. theta energy: -161.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1758.084972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.084972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.084972 (E_RNA)
where:
Base-Base interactions energy: -1204.381
where: short stacking energy: -508.182
Base-Backbone interact. energy: -0.068
local terms energy: -553.636041
where:
bonds (distance) C4'-P energy: -96.519
bonds (distance) P-C4' energy: -120.213
flat angles C4'-P-C4' energy: -109.657
flat angles P-C4'-P energy: -72.916
tors. eta vs tors. theta energy: -154.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1761.380507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.380507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.380507 (E_RNA)
where:
Base-Base interactions energy: -1184.823
where: short stacking energy: -528.847
Base-Backbone interact. energy: -1.445
local terms energy: -575.112075
where:
bonds (distance) C4'-P energy: -112.899
bonds (distance) P-C4' energy: -105.934
flat angles C4'-P-C4' energy: -124.564
flat angles P-C4'-P energy: -69.053
tors. eta vs tors. theta energy: -162.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1578.298103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.298103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.298103 (E_RNA)
where:
Base-Base interactions energy: -1098.639
where: short stacking energy: -438.302
Base-Backbone interact. energy: -2.797
local terms energy: -476.862820
where:
bonds (distance) C4'-P energy: -81.210
bonds (distance) P-C4' energy: -91.836
flat angles C4'-P-C4' energy: -112.340
flat angles P-C4'-P energy: -65.710
tors. eta vs tors. theta energy: -125.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1389.146724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.146724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.146724 (E_RNA)
where:
Base-Base interactions energy: -898.290
where: short stacking energy: -408.526
Base-Backbone interact. energy: -5.082
local terms energy: -485.774710
where:
bonds (distance) C4'-P energy: -97.510
bonds (distance) P-C4' energy: -100.088
flat angles C4'-P-C4' energy: -101.094
flat angles P-C4'-P energy: -67.752
tors. eta vs tors. theta energy: -119.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1138.001842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.001842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.001842 (E_RNA)
where:
Base-Base interactions energy: -693.962
where: short stacking energy: -322.783
Base-Backbone interact. energy: -2.143
local terms energy: -441.896197
where:
bonds (distance) C4'-P energy: -104.814
bonds (distance) P-C4' energy: -95.850
flat angles C4'-P-C4' energy: -98.958
flat angles P-C4'-P energy: -75.579
tors. eta vs tors. theta energy: -66.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -722.429965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.429965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.429965 (E_RNA)
where:
Base-Base interactions energy: -371.472
where: short stacking energy: -220.230
Base-Backbone interact. energy: 1.091
local terms energy: -352.048544
where:
bonds (distance) C4'-P energy: -86.071
bonds (distance) P-C4' energy: -107.996
flat angles C4'-P-C4' energy: -97.927
flat angles P-C4'-P energy: -36.056
tors. eta vs tors. theta energy: -23.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -488.756864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.756864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.756864 (E_RNA)
where:
Base-Base interactions energy: -219.010
where: short stacking energy: -145.252
Base-Backbone interact. energy: 1.615
local terms energy: -271.361895
where:
bonds (distance) C4'-P energy: -80.462
bonds (distance) P-C4' energy: -97.326
flat angles C4'-P-C4' energy: -80.056
flat angles P-C4'-P energy: -34.217
tors. eta vs tors. theta energy: 20.700
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: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2092.379378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.379378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.379378 (E_RNA)
where:
Base-Base interactions energy: -1457.969
where: short stacking energy: -595.976
Base-Backbone interact. energy: -3.584
local terms energy: -630.826889
where:
bonds (distance) C4'-P energy: -114.182
bonds (distance) P-C4' energy: -120.562
flat angles C4'-P-C4' energy: -127.414
flat angles P-C4'-P energy: -90.815
tors. eta vs tors. theta energy: -177.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1977.053241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.053241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.053241 (E_RNA)
where:
Base-Base interactions energy: -1371.703
where: short stacking energy: -546.994
Base-Backbone interact. energy: -1.318
local terms energy: -604.031958
where:
bonds (distance) C4'-P energy: -116.818
bonds (distance) P-C4' energy: -106.580
flat angles C4'-P-C4' energy: -134.467
flat angles P-C4'-P energy: -84.964
tors. eta vs tors. theta energy: -161.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1933.475192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.475192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.475192 (E_RNA)
where:
Base-Base interactions energy: -1336.266
where: short stacking energy: -572.742
Base-Backbone interact. energy: 0.985
local terms energy: -598.193833
where:
bonds (distance) C4'-P energy: -96.990
bonds (distance) P-C4' energy: -109.130
flat angles C4'-P-C4' energy: -139.289
flat angles P-C4'-P energy: -80.086
tors. eta vs tors. theta energy: -172.699
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: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1811.692974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.692974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.692974 (E_RNA)
where:
Base-Base interactions energy: -1244.194
where: short stacking energy: -527.794
Base-Backbone interact. energy: -1.972
local terms energy: -565.526337
where:
bonds (distance) C4'-P energy: -99.416
bonds (distance) P-C4' energy: -108.365
flat angles C4'-P-C4' energy: -120.019
flat angles P-C4'-P energy: -89.661
tors. eta vs tors. theta energy: -148.065
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: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1757.221105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.221105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.221105 (E_RNA)
where:
Base-Base interactions energy: -1224.051
where: short stacking energy: -518.378
Base-Backbone interact. energy: 0.507
local terms energy: -533.677382
where:
bonds (distance) C4'-P energy: -100.773
bonds (distance) P-C4' energy: -99.291
flat angles C4'-P-C4' energy: -117.034
flat angles P-C4'-P energy: -69.389
tors. eta vs tors. theta energy: -147.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1581.661238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.661238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.661238 (E_RNA)
where:
Base-Base interactions energy: -1067.257
where: short stacking energy: -414.331
Base-Backbone interact. energy: -4.012
local terms energy: -510.392125
where:
bonds (distance) C4'-P energy: -94.327
bonds (distance) P-C4' energy: -112.774
flat angles C4'-P-C4' energy: -114.331
flat angles P-C4'-P energy: -79.375
tors. eta vs tors. theta energy: -109.585
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: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1346.790045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.790045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.790045 (E_RNA)
where:
Base-Base interactions energy: -875.066
where: short stacking energy: -370.550
Base-Backbone interact. energy: -1.298
local terms energy: -470.426031
where:
bonds (distance) C4'-P energy: -92.138
bonds (distance) P-C4' energy: -103.865
flat angles C4'-P-C4' energy: -110.663
flat angles P-C4'-P energy: -66.461
tors. eta vs tors. theta energy: -97.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1132.064643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.064643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.064643 (E_RNA)
where:
Base-Base interactions energy: -680.616
where: short stacking energy: -308.758
Base-Backbone interact. energy: 2.747
local terms energy: -454.195803
where:
bonds (distance) C4'-P energy: -87.316
bonds (distance) P-C4' energy: -105.811
flat angles C4'-P-C4' energy: -121.572
flat angles P-C4'-P energy: -67.650
tors. eta vs tors. theta energy: -71.847
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: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -731.229958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.229958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.229958 (E_RNA)
where:
Base-Base interactions energy: -382.006
where: short stacking energy: -212.710
Base-Backbone interact. energy: -4.208
local terms energy: -345.016012
where:
bonds (distance) C4'-P energy: -88.350
bonds (distance) P-C4' energy: -102.485
flat angles C4'-P-C4' energy: -86.308
flat angles P-C4'-P energy: -61.532
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -472.794779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.794779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.794779 (E_RNA)
where:
Base-Base interactions energy: -175.662
where: short stacking energy: -126.865
Base-Backbone interact. energy: 5.153
local terms energy: -302.285577
where:
bonds (distance) C4'-P energy: -72.145
bonds (distance) P-C4' energy: -103.650
flat angles C4'-P-C4' energy: -82.409
flat angles P-C4'-P energy: -48.571
tors. eta vs tors. theta energy: 4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2085.021231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.021231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.021231 (E_RNA)
where:
Base-Base interactions energy: -1439.260
where: short stacking energy: -604.545
Base-Backbone interact. energy: 2.659
local terms energy: -648.420752
where:
bonds (distance) C4'-P energy: -112.949
bonds (distance) P-C4' energy: -127.804
flat angles C4'-P-C4' energy: -128.327
flat angles P-C4'-P energy: -103.987
tors. eta vs tors. theta energy: -175.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2026.081938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.081938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.081938 (E_RNA)
where:
Base-Base interactions energy: -1411.288
where: short stacking energy: -583.454
Base-Backbone interact. energy: -2.235
local terms energy: -612.558639
where:
bonds (distance) C4'-P energy: -102.887
bonds (distance) P-C4' energy: -108.405
flat angles C4'-P-C4' energy: -135.924
flat angles P-C4'-P energy: -99.054
tors. eta vs tors. theta energy: -166.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1865.198048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.198048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.198048 (E_RNA)
where:
Base-Base interactions energy: -1277.511
where: short stacking energy: -560.944
Base-Backbone interact. energy: -3.955
local terms energy: -583.731995
where:
bonds (distance) C4'-P energy: -91.893
bonds (distance) P-C4' energy: -111.560
flat angles C4'-P-C4' energy: -121.938
flat angles P-C4'-P energy: -88.512
tors. eta vs tors. theta energy: -169.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1829.462396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.462396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.462396 (E_RNA)
where:
Base-Base interactions energy: -1233.230
where: short stacking energy: -521.587
Base-Backbone interact. energy: -0.603
local terms energy: -595.628861
where:
bonds (distance) C4'-P energy: -105.912
bonds (distance) P-C4' energy: -112.157
flat angles C4'-P-C4' energy: -123.972
flat angles P-C4'-P energy: -88.243
tors. eta vs tors. theta energy: -165.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1798.496665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.496665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.496665 (E_RNA)
where:
Base-Base interactions energy: -1221.147
where: short stacking energy: -501.943
Base-Backbone interact. energy: -1.631
local terms energy: -575.718985
where:
bonds (distance) C4'-P energy: -108.775
bonds (distance) P-C4' energy: -111.259
flat angles C4'-P-C4' energy: -124.276
flat angles P-C4'-P energy: -77.019
tors. eta vs tors. theta energy: -154.389
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: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1600.589505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.589505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.589505 (E_RNA)
where:
Base-Base interactions energy: -1059.115
where: short stacking energy: -447.836
Base-Backbone interact. energy: -1.193
local terms energy: -540.281614
where:
bonds (distance) C4'-P energy: -104.292
bonds (distance) P-C4' energy: -112.781
flat angles C4'-P-C4' energy: -123.262
flat angles P-C4'-P energy: -65.921
tors. eta vs tors. theta energy: -134.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1357.656733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.656733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.656733 (E_RNA)
where:
Base-Base interactions energy: -912.379
where: short stacking energy: -396.962
Base-Backbone interact. energy: 1.136
local terms energy: -446.413610
where:
bonds (distance) C4'-P energy: -82.797
bonds (distance) P-C4' energy: -109.609
flat angles C4'-P-C4' energy: -97.267
flat angles P-C4'-P energy: -56.604
tors. eta vs tors. theta energy: -100.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1119.695037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.695037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.695037 (E_RNA)
where:
Base-Base interactions energy: -681.083
where: short stacking energy: -323.175
Base-Backbone interact. energy: -1.084
local terms energy: -437.528478
where:
bonds (distance) C4'-P energy: -87.106
bonds (distance) P-C4' energy: -102.071
flat angles C4'-P-C4' energy: -112.919
flat angles P-C4'-P energy: -71.630
tors. eta vs tors. theta energy: -63.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -843.957823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.957823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.957823 (E_RNA)
where:
Base-Base interactions energy: -498.390
where: short stacking energy: -244.296
Base-Backbone interact. energy: -2.631
local terms energy: -342.936835
where:
bonds (distance) C4'-P energy: -87.301
bonds (distance) P-C4' energy: -93.206
flat angles C4'-P-C4' energy: -82.221
flat angles P-C4'-P energy: -52.536
tors. eta vs tors. theta energy: -27.674
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: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -491.934885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.934885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.934885 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -114.911
Base-Backbone interact. energy: -0.968
local terms energy: -332.761889
where:
bonds (distance) C4'-P energy: -99.164
bonds (distance) P-C4' energy: -115.604
flat angles C4'-P-C4' energy: -83.611
flat angles P-C4'-P energy: -57.833
tors. eta vs tors. theta energy: 23.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2101.523219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.523219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.523219 (E_RNA)
where:
Base-Base interactions energy: -1441.398
where: short stacking energy: -593.707
Base-Backbone interact. energy: -2.498
local terms energy: -657.626806
where:
bonds (distance) C4'-P energy: -125.086
bonds (distance) P-C4' energy: -114.133
flat angles C4'-P-C4' energy: -135.923
flat angles P-C4'-P energy: -94.511
tors. eta vs tors. theta energy: -187.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2001.444867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.444867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.444867 (E_RNA)
where:
Base-Base interactions energy: -1371.276
where: short stacking energy: -565.837
Base-Backbone interact. energy: -3.157
local terms energy: -627.011514
where:
bonds (distance) C4'-P energy: -106.114
bonds (distance) P-C4' energy: -121.772
flat angles C4'-P-C4' energy: -143.658
flat angles P-C4'-P energy: -87.503
tors. eta vs tors. theta energy: -167.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1886.657617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.657617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.657617 (E_RNA)
where:
Base-Base interactions energy: -1278.586
where: short stacking energy: -553.420
Base-Backbone interact. energy: -3.890
local terms energy: -604.181757
where:
bonds (distance) C4'-P energy: -116.177
bonds (distance) P-C4' energy: -101.100
flat angles C4'-P-C4' energy: -128.611
flat angles P-C4'-P energy: -93.482
tors. eta vs tors. theta energy: -164.812
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: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1812.829616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.829616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.829616 (E_RNA)
where:
Base-Base interactions energy: -1230.084
where: short stacking energy: -546.464
Base-Backbone interact. energy: -0.559
local terms energy: -582.186972
where:
bonds (distance) C4'-P energy: -107.094
bonds (distance) P-C4' energy: -119.076
flat angles C4'-P-C4' energy: -118.560
flat angles P-C4'-P energy: -77.775
tors. eta vs tors. theta energy: -159.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1733.917097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.917097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.917097 (E_RNA)
where:
Base-Base interactions energy: -1201.068
where: short stacking energy: -519.674
Base-Backbone interact. energy: 0.866
local terms energy: -533.714866
where:
bonds (distance) C4'-P energy: -93.809
bonds (distance) P-C4' energy: -98.164
flat angles C4'-P-C4' energy: -115.302
flat angles P-C4'-P energy: -81.371
tors. eta vs tors. theta energy: -145.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1589.268500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.268500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.268500 (E_RNA)
where:
Base-Base interactions energy: -1066.913
where: short stacking energy: -447.433
Base-Backbone interact. energy: -0.407
local terms energy: -521.948312
where:
bonds (distance) C4'-P energy: -97.701
bonds (distance) P-C4' energy: -99.736
flat angles C4'-P-C4' energy: -110.829
flat angles P-C4'-P energy: -92.638
tors. eta vs tors. theta energy: -121.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1362.215413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.215413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.215413 (E_RNA)
where:
Base-Base interactions energy: -899.913
where: short stacking energy: -401.427
Base-Backbone interact. energy: -1.677
local terms energy: -460.625182
where:
bonds (distance) C4'-P energy: -84.919
bonds (distance) P-C4' energy: -85.197
flat angles C4'-P-C4' energy: -118.112
flat angles P-C4'-P energy: -67.850
tors. eta vs tors. theta energy: -104.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1102.305319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.305319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.305319 (E_RNA)
where:
Base-Base interactions energy: -654.628
where: short stacking energy: -304.058
Base-Backbone interact. energy: 0.701
local terms energy: -448.378445
where:
bonds (distance) C4'-P energy: -120.194
bonds (distance) P-C4' energy: -103.225
flat angles C4'-P-C4' energy: -110.044
flat angles P-C4'-P energy: -51.114
tors. eta vs tors. theta energy: -63.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -826.354238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.354238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.354238 (E_RNA)
where:
Base-Base interactions energy: -464.202
where: short stacking energy: -207.984
Base-Backbone interact. energy: -2.265
local terms energy: -359.886482
where:
bonds (distance) C4'-P energy: -93.065
bonds (distance) P-C4' energy: -95.158
flat angles C4'-P-C4' energy: -93.142
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -448.833231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.833231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.833231 (E_RNA)
where:
Base-Base interactions energy: -156.032
where: short stacking energy: -102.719
Base-Backbone interact. energy: -2.335
local terms energy: -290.465872
where:
bonds (distance) C4'-P energy: -75.882
bonds (distance) P-C4' energy: -98.213
flat angles C4'-P-C4' energy: -86.564
flat angles P-C4'-P energy: -54.573
tors. eta vs tors. theta energy: 24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2088.304965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.304965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.304965 (E_RNA)
where:
Base-Base interactions energy: -1442.092
where: short stacking energy: -574.116
Base-Backbone interact. energy: -2.383
local terms energy: -643.829820
where:
bonds (distance) C4'-P energy: -118.474
bonds (distance) P-C4' energy: -131.585
flat angles C4'-P-C4' energy: -125.193
flat angles P-C4'-P energy: -97.533
tors. eta vs tors. theta energy: -171.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1986.812732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.812732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.812732 (E_RNA)
where:
Base-Base interactions energy: -1355.138
where: short stacking energy: -559.493
Base-Backbone interact. energy: -1.794
local terms energy: -629.879998
where:
bonds (distance) C4'-P energy: -104.023
bonds (distance) P-C4' energy: -128.104
flat angles C4'-P-C4' energy: -130.495
flat angles P-C4'-P energy: -94.499
tors. eta vs tors. theta energy: -172.759
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: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1891.163724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.163724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.163724 (E_RNA)
where:
Base-Base interactions energy: -1304.889
where: short stacking energy: -547.862
Base-Backbone interact. energy: -3.344
local terms energy: -582.930747
where:
bonds (distance) C4'-P energy: -108.519
bonds (distance) P-C4' energy: -99.555
flat angles C4'-P-C4' energy: -123.720
flat angles P-C4'-P energy: -87.483
tors. eta vs tors. theta energy: -163.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1794.091490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.091490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.091490 (E_RNA)
where:
Base-Base interactions energy: -1222.093
where: short stacking energy: -518.291
Base-Backbone interact. energy: 0.401
local terms energy: -572.399914
where:
bonds (distance) C4'-P energy: -93.556
bonds (distance) P-C4' energy: -102.204
flat angles C4'-P-C4' energy: -136.531
flat angles P-C4'-P energy: -78.813
tors. eta vs tors. theta energy: -161.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1711.346151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.346151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.346151 (E_RNA)
where:
Base-Base interactions energy: -1194.213
where: short stacking energy: -469.826
Base-Backbone interact. energy: -0.015
local terms energy: -517.118421
where:
bonds (distance) C4'-P energy: -98.503
bonds (distance) P-C4' energy: -109.309
flat angles C4'-P-C4' energy: -122.465
flat angles P-C4'-P energy: -65.803
tors. eta vs tors. theta energy: -121.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1638.236563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.236563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.236563 (E_RNA)
where:
Base-Base interactions energy: -1093.159
where: short stacking energy: -472.341
Base-Backbone interact. energy: 3.613
local terms energy: -548.690188
where:
bonds (distance) C4'-P energy: -96.904
bonds (distance) P-C4' energy: -124.550
flat angles C4'-P-C4' energy: -113.605
flat angles P-C4'-P energy: -63.848
tors. eta vs tors. theta energy: -149.784
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: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1351.160708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.160708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.160708 (E_RNA)
where:
Base-Base interactions energy: -871.654
where: short stacking energy: -382.874
Base-Backbone interact. energy: -2.337
local terms energy: -477.169174
where:
bonds (distance) C4'-P energy: -101.766
bonds (distance) P-C4' energy: -108.737
flat angles C4'-P-C4' energy: -111.304
flat angles P-C4'-P energy: -62.832
tors. eta vs tors. theta energy: -92.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1063.466464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.466464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.466464 (E_RNA)
where:
Base-Base interactions energy: -635.888
where: short stacking energy: -288.129
Base-Backbone interact. energy: -1.221
local terms energy: -426.357602
where:
bonds (distance) C4'-P energy: -80.028
bonds (distance) P-C4' energy: -92.434
flat angles C4'-P-C4' energy: -110.775
flat angles P-C4'-P energy: -77.034
tors. eta vs tors. theta energy: -66.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -754.226399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.226399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.226399 (E_RNA)
where:
Base-Base interactions energy: -441.339
where: short stacking energy: -222.561
Base-Backbone interact. energy: 0.835
local terms energy: -313.722418
where:
bonds (distance) C4'-P energy: -67.582
bonds (distance) P-C4' energy: -91.874
flat angles C4'-P-C4' energy: -92.529
flat angles P-C4'-P energy: -40.731
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -449.068989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.068989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.068989 (E_RNA)
where:
Base-Base interactions energy: -118.030
where: short stacking energy: -97.471
Base-Backbone interact. energy: 0.406
local terms energy: -331.444981
where:
bonds (distance) C4'-P energy: -98.202
bonds (distance) P-C4' energy: -108.600
flat angles C4'-P-C4' energy: -78.578
flat angles P-C4'-P energy: -59.471
tors. eta vs tors. theta energy: 13.406
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: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2095.388010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.388010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.388010 (E_RNA)
where:
Base-Base interactions energy: -1449.013
where: short stacking energy: -601.860
Base-Backbone interact. energy: -4.056
local terms energy: -642.319242
where:
bonds (distance) C4'-P energy: -121.861
bonds (distance) P-C4' energy: -127.559
flat angles C4'-P-C4' energy: -132.206
flat angles P-C4'-P energy: -81.759
tors. eta vs tors. theta energy: -178.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1990.230060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.230060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.230060 (E_RNA)
where:
Base-Base interactions energy: -1362.436
where: short stacking energy: -587.547
Base-Backbone interact. energy: -2.818
local terms energy: -624.975871
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -111.257
flat angles C4'-P-C4' energy: -121.781
flat angles P-C4'-P energy: -99.781
tors. eta vs tors. theta energy: -171.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1924.765098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.765098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.765098 (E_RNA)
where:
Base-Base interactions energy: -1320.318
where: short stacking energy: -536.375
Base-Backbone interact. energy: -1.631
local terms energy: -602.815841
where:
bonds (distance) C4'-P energy: -105.490
bonds (distance) P-C4' energy: -111.352
flat angles C4'-P-C4' energy: -123.395
flat angles P-C4'-P energy: -90.009
tors. eta vs tors. theta energy: -172.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1803.709302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.709302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.709302 (E_RNA)
where:
Base-Base interactions energy: -1205.458
where: short stacking energy: -537.900
Base-Backbone interact. energy: -1.274
local terms energy: -596.977880
where:
bonds (distance) C4'-P energy: -103.772
bonds (distance) P-C4' energy: -113.173
flat angles C4'-P-C4' energy: -137.548
flat angles P-C4'-P energy: -82.737
tors. eta vs tors. theta energy: -159.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1730.731935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.731935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.731935 (E_RNA)
where:
Base-Base interactions energy: -1160.738
where: short stacking energy: -465.429
Base-Backbone interact. energy: 1.692
local terms energy: -571.685713
where:
bonds (distance) C4'-P energy: -114.340
bonds (distance) P-C4' energy: -114.947
flat angles C4'-P-C4' energy: -121.787
flat angles P-C4'-P energy: -83.527
tors. eta vs tors. theta energy: -137.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1595.078060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.078060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.078060 (E_RNA)
where:
Base-Base interactions energy: -1072.555
where: short stacking energy: -463.353
Base-Backbone interact. energy: -2.168
local terms energy: -520.355355
where:
bonds (distance) C4'-P energy: -98.817
bonds (distance) P-C4' energy: -115.714
flat angles C4'-P-C4' energy: -106.505
flat angles P-C4'-P energy: -65.392
tors. eta vs tors. theta energy: -133.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1364.875371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.875371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.875371 (E_RNA)
where:
Base-Base interactions energy: -873.189
where: short stacking energy: -391.924
Base-Backbone interact. energy: 3.110
local terms energy: -494.796335
where:
bonds (distance) C4'-P energy: -97.314
bonds (distance) P-C4' energy: -112.214
flat angles C4'-P-C4' energy: -120.463
flat angles P-C4'-P energy: -61.173
tors. eta vs tors. theta energy: -103.633
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: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1101.783615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.783615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.783615 (E_RNA)
where:
Base-Base interactions energy: -671.974
where: short stacking energy: -326.836
Base-Backbone interact. energy: -2.831
local terms energy: -426.978374
where:
bonds (distance) C4'-P energy: -108.512
bonds (distance) P-C4' energy: -95.218
flat angles C4'-P-C4' energy: -92.487
flat angles P-C4'-P energy: -67.089
tors. eta vs tors. theta energy: -63.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -697.482067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.482067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.482067 (E_RNA)
where:
Base-Base interactions energy: -327.848
where: short stacking energy: -177.393
Base-Backbone interact. energy: 2.294
local terms energy: -371.928129
where:
bonds (distance) C4'-P energy: -100.570
bonds (distance) P-C4' energy: -100.224
flat angles C4'-P-C4' energy: -106.807
flat angles P-C4'-P energy: -57.140
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -480.364573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.364573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.364573 (E_RNA)
where:
Base-Base interactions energy: -170.910
where: short stacking energy: -135.795
Base-Backbone interact. energy: -1.298
local terms energy: -308.155736
where:
bonds (distance) C4'-P energy: -91.817
bonds (distance) P-C4' energy: -96.828
flat angles C4'-P-C4' energy: -68.419
flat angles P-C4'-P energy: -60.444
tors. eta vs tors. theta energy: 9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2095.508521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.508521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.508521 (E_RNA)
where:
Base-Base interactions energy: -1440.481
where: short stacking energy: -597.241
Base-Backbone interact. energy: -3.595
local terms energy: -651.432391
where:
bonds (distance) C4'-P energy: -115.357
bonds (distance) P-C4' energy: -113.771
flat angles C4'-P-C4' energy: -139.476
flat angles P-C4'-P energy: -97.237
tors. eta vs tors. theta energy: -185.592
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: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1975.695305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.695305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.695305 (E_RNA)
where:
Base-Base interactions energy: -1370.619
where: short stacking energy: -568.732
Base-Backbone interact. energy: 1.930
local terms energy: -607.006755
where:
bonds (distance) C4'-P energy: -107.637
bonds (distance) P-C4' energy: -114.913
flat angles C4'-P-C4' energy: -135.199
flat angles P-C4'-P energy: -77.278
tors. eta vs tors. theta energy: -171.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1933.906447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.906447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.906447 (E_RNA)
where:
Base-Base interactions energy: -1319.244
where: short stacking energy: -552.424
Base-Backbone interact. energy: -5.947
local terms energy: -608.715476
where:
bonds (distance) C4'-P energy: -112.093
bonds (distance) P-C4' energy: -113.263
flat angles C4'-P-C4' energy: -128.374
flat angles P-C4'-P energy: -86.471
tors. eta vs tors. theta energy: -168.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1834.395847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.395847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.395847 (E_RNA)
where:
Base-Base interactions energy: -1200.863
where: short stacking energy: -530.310
Base-Backbone interact. energy: -2.982
local terms energy: -630.551106
where:
bonds (distance) C4'-P energy: -114.998
bonds (distance) P-C4' energy: -110.667
flat angles C4'-P-C4' energy: -138.020
flat angles P-C4'-P energy: -93.335
tors. eta vs tors. theta energy: -173.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1719.961389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.961389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.961389 (E_RNA)
where:
Base-Base interactions energy: -1187.163
where: short stacking energy: -469.350
Base-Backbone interact. energy: 3.794
local terms energy: -536.592752
where:
bonds (distance) C4'-P energy: -126.668
bonds (distance) P-C4' energy: -98.995
flat angles C4'-P-C4' energy: -100.927
flat angles P-C4'-P energy: -76.826
tors. eta vs tors. theta energy: -133.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1582.220448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.220448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.220448 (E_RNA)
where:
Base-Base interactions energy: -1056.796
where: short stacking energy: -446.372
Base-Backbone interact. energy: 7.976
local terms energy: -533.400479
where:
bonds (distance) C4'-P energy: -90.512
bonds (distance) P-C4' energy: -112.644
flat angles C4'-P-C4' energy: -125.293
flat angles P-C4'-P energy: -77.623
tors. eta vs tors. theta energy: -127.327
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: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1328.314285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.314285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.314285 (E_RNA)
where:
Base-Base interactions energy: -870.302
where: short stacking energy: -386.214
Base-Backbone interact. energy: -2.815
local terms energy: -455.197589
where:
bonds (distance) C4'-P energy: -79.281
bonds (distance) P-C4' energy: -112.623
flat angles C4'-P-C4' energy: -106.563
flat angles P-C4'-P energy: -65.296
tors. eta vs tors. theta energy: -91.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1087.176433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.176433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.176433 (E_RNA)
where:
Base-Base interactions energy: -679.360
where: short stacking energy: -327.038
Base-Backbone interact. energy: 2.705
local terms energy: -410.520851
where:
bonds (distance) C4'-P energy: -82.819
bonds (distance) P-C4' energy: -86.936
flat angles C4'-P-C4' energy: -107.001
flat angles P-C4'-P energy: -67.492
tors. eta vs tors. theta energy: -66.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -668.725577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.725577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.725577 (E_RNA)
where:
Base-Base interactions energy: -318.979
where: short stacking energy: -181.864
Base-Backbone interact. energy: -1.766
local terms energy: -347.980695
where:
bonds (distance) C4'-P energy: -84.149
bonds (distance) P-C4' energy: -112.668
flat angles C4'-P-C4' energy: -90.659
flat angles P-C4'-P energy: -60.287
tors. eta vs tors. theta energy: -0.217
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: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -421.459537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.459537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.459537 (E_RNA)
where:
Base-Base interactions energy: -135.320
where: short stacking energy: -127.280
Base-Backbone interact. energy: -0.163
local terms energy: -285.977345
where:
bonds (distance) C4'-P energy: -84.499
bonds (distance) P-C4' energy: -114.041
flat angles C4'-P-C4' energy: -72.598
flat angles P-C4'-P energy: -37.830
tors. eta vs tors. theta energy: 22.990
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: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2099.379796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.379796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.379796 (E_RNA)
where:
Base-Base interactions energy: -1446.879
where: short stacking energy: -592.694
Base-Backbone interact. energy: 0.307
local terms energy: -652.807884
where:
bonds (distance) C4'-P energy: -122.734
bonds (distance) P-C4' energy: -119.862
flat angles C4'-P-C4' energy: -133.050
flat angles P-C4'-P energy: -92.645
tors. eta vs tors. theta energy: -184.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1945.657676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.657676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.657676 (E_RNA)
where:
Base-Base interactions energy: -1346.212
where: short stacking energy: -539.067
Base-Backbone interact. energy: -1.457
local terms energy: -597.988081
where:
bonds (distance) C4'-P energy: -102.166
bonds (distance) P-C4' energy: -116.992
flat angles C4'-P-C4' energy: -132.070
flat angles P-C4'-P energy: -91.749
tors. eta vs tors. theta energy: -155.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1918.173570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.173570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.173570 (E_RNA)
where:
Base-Base interactions energy: -1314.216
where: short stacking energy: -534.988
Base-Backbone interact. energy: -3.646
local terms energy: -600.312153
where:
bonds (distance) C4'-P energy: -116.940
bonds (distance) P-C4' energy: -108.532
flat angles C4'-P-C4' energy: -122.484
flat angles P-C4'-P energy: -90.515
tors. eta vs tors. theta energy: -161.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1800.640553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.640553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.640553 (E_RNA)
where:
Base-Base interactions energy: -1214.732
where: short stacking energy: -505.657
Base-Backbone interact. energy: 0.547
local terms energy: -586.455285
where:
bonds (distance) C4'-P energy: -106.949
bonds (distance) P-C4' energy: -103.288
flat angles C4'-P-C4' energy: -137.562
flat angles P-C4'-P energy: -82.342
tors. eta vs tors. theta energy: -156.314
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: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1729.637198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.637198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.637198 (E_RNA)
where:
Base-Base interactions energy: -1196.501
where: short stacking energy: -498.494
Base-Backbone interact. energy: -0.681
local terms energy: -532.455284
where:
bonds (distance) C4'-P energy: -88.943
bonds (distance) P-C4' energy: -98.706
flat angles C4'-P-C4' energy: -116.633
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -149.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1626.991017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.991017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.991017 (E_RNA)
where:
Base-Base interactions energy: -1109.470
where: short stacking energy: -474.852
Base-Backbone interact. energy: 1.110
local terms energy: -518.631364
where:
bonds (distance) C4'-P energy: -99.566
bonds (distance) P-C4' energy: -94.771
flat angles C4'-P-C4' energy: -115.645
flat angles P-C4'-P energy: -83.222
tors. eta vs tors. theta energy: -125.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1325.982219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.982219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.982219 (E_RNA)
where:
Base-Base interactions energy: -883.636
where: short stacking energy: -363.067
Base-Backbone interact. energy: 1.330
local terms energy: -443.676256
where:
bonds (distance) C4'-P energy: -89.350
bonds (distance) P-C4' energy: -95.628
flat angles C4'-P-C4' energy: -104.016
flat angles P-C4'-P energy: -64.704
tors. eta vs tors. theta energy: -89.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1072.300019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.300019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.300019 (E_RNA)
where:
Base-Base interactions energy: -674.346
where: short stacking energy: -315.880
Base-Backbone interact. energy: -0.599
local terms energy: -397.355129
where:
bonds (distance) C4'-P energy: -98.440
bonds (distance) P-C4' energy: -96.887
flat angles C4'-P-C4' energy: -93.867
flat angles P-C4'-P energy: -54.760
tors. eta vs tors. theta energy: -53.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -718.096261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.096261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.096261 (E_RNA)
where:
Base-Base interactions energy: -372.650
where: short stacking energy: -208.684
Base-Backbone interact. energy: 3.937
local terms energy: -349.383290
where:
bonds (distance) C4'-P energy: -92.001
bonds (distance) P-C4' energy: -82.617
flat angles C4'-P-C4' energy: -96.745
flat angles P-C4'-P energy: -61.768
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -466.114796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.114796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.114796 (E_RNA)
where:
Base-Base interactions energy: -173.137
where: short stacking energy: -149.254
Base-Backbone interact. energy: -1.231
local terms energy: -291.746590
where:
bonds (distance) C4'-P energy: -88.802
bonds (distance) P-C4' energy: -102.909
flat angles C4'-P-C4' energy: -61.883
flat angles P-C4'-P energy: -44.502
tors. eta vs tors. theta energy: 6.350
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: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2080.558216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.558216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.558216 (E_RNA)
where:
Base-Base interactions energy: -1424.903
where: short stacking energy: -576.310
Base-Backbone interact. energy: -2.217
local terms energy: -653.437872
where:
bonds (distance) C4'-P energy: -113.366
bonds (distance) P-C4' energy: -125.846
flat angles C4'-P-C4' energy: -144.247
flat angles P-C4'-P energy: -90.361
tors. eta vs tors. theta energy: -179.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1975.408195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.408195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.408195 (E_RNA)
where:
Base-Base interactions energy: -1377.775
where: short stacking energy: -564.181
Base-Backbone interact. energy: -3.897
local terms energy: -593.736244
where:
bonds (distance) C4'-P energy: -110.078
bonds (distance) P-C4' energy: -113.948
flat angles C4'-P-C4' energy: -126.731
flat angles P-C4'-P energy: -80.737
tors. eta vs tors. theta energy: -162.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1949.758093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.758093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.758093 (E_RNA)
where:
Base-Base interactions energy: -1353.493
where: short stacking energy: -569.860
Base-Backbone interact. energy: -1.764
local terms energy: -594.500979
where:
bonds (distance) C4'-P energy: -103.887
bonds (distance) P-C4' energy: -101.214
flat angles C4'-P-C4' energy: -138.664
flat angles P-C4'-P energy: -81.347
tors. eta vs tors. theta energy: -169.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1827.191797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.191797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.191797 (E_RNA)
where:
Base-Base interactions energy: -1241.020
where: short stacking energy: -545.799
Base-Backbone interact. energy: -0.297
local terms energy: -585.874385
where:
bonds (distance) C4'-P energy: -103.755
bonds (distance) P-C4' energy: -126.690
flat angles C4'-P-C4' energy: -112.811
flat angles P-C4'-P energy: -88.199
tors. eta vs tors. theta energy: -154.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1729.962928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.962928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.962928 (E_RNA)
where:
Base-Base interactions energy: -1171.479
where: short stacking energy: -481.962
Base-Backbone interact. energy: -1.669
local terms energy: -556.814513
where:
bonds (distance) C4'-P energy: -93.861
bonds (distance) P-C4' energy: -112.780
flat angles C4'-P-C4' energy: -113.357
flat angles P-C4'-P energy: -88.158
tors. eta vs tors. theta energy: -148.658
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: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1617.355356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.355356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.355356 (E_RNA)
where:
Base-Base interactions energy: -1119.945
where: short stacking energy: -490.711
Base-Backbone interact. energy: -2.549
local terms energy: -494.861061
where:
bonds (distance) C4'-P energy: -78.766
bonds (distance) P-C4' energy: -106.038
flat angles C4'-P-C4' energy: -114.685
flat angles P-C4'-P energy: -75.761
tors. eta vs tors. theta energy: -119.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1378.716537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.716537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.716537 (E_RNA)
where:
Base-Base interactions energy: -896.856
where: short stacking energy: -404.887
Base-Backbone interact. energy: 0.935
local terms energy: -482.796049
where:
bonds (distance) C4'-P energy: -93.030
bonds (distance) P-C4' energy: -102.549
flat angles C4'-P-C4' energy: -109.496
flat angles P-C4'-P energy: -76.770
tors. eta vs tors. theta energy: -100.951
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: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1079.818825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.818825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.818825 (E_RNA)
where:
Base-Base interactions energy: -681.208
where: short stacking energy: -337.782
Base-Backbone interact. energy: -0.969
local terms energy: -397.641687
where:
bonds (distance) C4'-P energy: -98.758
bonds (distance) P-C4' energy: -115.430
flat angles C4'-P-C4' energy: -76.012
flat angles P-C4'-P energy: -47.023
tors. eta vs tors. theta energy: -60.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -752.294208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.294208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.294208 (E_RNA)
where:
Base-Base interactions energy: -410.745
where: short stacking energy: -221.711
Base-Backbone interact. energy: 0.812
local terms energy: -342.361280
where:
bonds (distance) C4'-P energy: -75.871
bonds (distance) P-C4' energy: -87.224
flat angles C4'-P-C4' energy: -96.163
flat angles P-C4'-P energy: -49.869
tors. eta vs tors. theta energy: -33.234
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: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -459.557311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.557311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.557311 (E_RNA)
where:
Base-Base interactions energy: -196.507
where: short stacking energy: -124.985
Base-Backbone interact. energy: 5.716
local terms energy: -268.766365
where:
bonds (distance) C4'-P energy: -80.991
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -83.672
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: 16.231
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: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2106.872172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.872172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.872172 (E_RNA)
where:
Base-Base interactions energy: -1467.523
where: short stacking energy: -587.007
Base-Backbone interact. energy: -1.557
local terms energy: -637.792339
where:
bonds (distance) C4'-P energy: -106.741
bonds (distance) P-C4' energy: -127.349
flat angles C4'-P-C4' energy: -136.182
flat angles P-C4'-P energy: -86.649
tors. eta vs tors. theta energy: -180.871
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: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2011.315732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.315732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.315732 (E_RNA)
where:
Base-Base interactions energy: -1381.682
where: short stacking energy: -586.934
Base-Backbone interact. energy: -2.614
local terms energy: -627.020572
where:
bonds (distance) C4'-P energy: -106.237
bonds (distance) P-C4' energy: -118.368
flat angles C4'-P-C4' energy: -142.515
flat angles P-C4'-P energy: -79.632
tors. eta vs tors. theta energy: -180.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1949.281944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.281944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.281944 (E_RNA)
where:
Base-Base interactions energy: -1321.930
where: short stacking energy: -567.188
Base-Backbone interact. energy: -2.893
local terms energy: -624.458801
where:
bonds (distance) C4'-P energy: -121.263
bonds (distance) P-C4' energy: -118.303
flat angles C4'-P-C4' energy: -133.667
flat angles P-C4'-P energy: -82.194
tors. eta vs tors. theta energy: -169.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1850.819513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.819513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.819513 (E_RNA)
where:
Base-Base interactions energy: -1287.410
where: short stacking energy: -530.686
Base-Backbone interact. energy: -3.116
local terms energy: -560.293707
where:
bonds (distance) C4'-P energy: -89.883
bonds (distance) P-C4' energy: -118.305
flat angles C4'-P-C4' energy: -126.913
flat angles P-C4'-P energy: -66.260
tors. eta vs tors. theta energy: -158.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1777.668463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.668463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.668463 (E_RNA)
where:
Base-Base interactions energy: -1233.120
where: short stacking energy: -527.625
Base-Backbone interact. energy: 6.250
local terms energy: -550.798693
where:
bonds (distance) C4'-P energy: -92.916
bonds (distance) P-C4' energy: -104.706
flat angles C4'-P-C4' energy: -118.753
flat angles P-C4'-P energy: -78.218
tors. eta vs tors. theta energy: -156.206
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: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1621.713578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.713578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.713578 (E_RNA)
where:
Base-Base interactions energy: -1142.040
where: short stacking energy: -496.866
Base-Backbone interact. energy: -1.882
local terms energy: -477.791861
where:
bonds (distance) C4'-P energy: -77.590
bonds (distance) P-C4' energy: -85.959
flat angles C4'-P-C4' energy: -115.249
flat angles P-C4'-P energy: -78.322
tors. eta vs tors. theta energy: -120.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1357.140339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.140339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.140339 (E_RNA)
where:
Base-Base interactions energy: -914.018
where: short stacking energy: -393.026
Base-Backbone interact. energy: -5.416
local terms energy: -437.706059
where:
bonds (distance) C4'-P energy: -77.052
bonds (distance) P-C4' energy: -87.951
flat angles C4'-P-C4' energy: -96.194
flat angles P-C4'-P energy: -70.308
tors. eta vs tors. theta energy: -106.201
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: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1058.298535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.298535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.298535 (E_RNA)
where:
Base-Base interactions energy: -653.424
where: short stacking energy: -291.983
Base-Backbone interact. energy: -1.481
local terms energy: -403.394065
where:
bonds (distance) C4'-P energy: -106.175
bonds (distance) P-C4' energy: -103.348
flat angles C4'-P-C4' energy: -99.580
flat angles P-C4'-P energy: -38.497
tors. eta vs tors. theta energy: -55.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -666.105348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.105348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.105348 (E_RNA)
where:
Base-Base interactions energy: -332.152
where: short stacking energy: -196.173
Base-Backbone interact. energy: 0.931
local terms energy: -334.883644
where:
bonds (distance) C4'-P energy: -76.774
bonds (distance) P-C4' energy: -107.703
flat angles C4'-P-C4' energy: -98.332
flat angles P-C4'-P energy: -36.778
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -459.130368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.130368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.130368 (E_RNA)
where:
Base-Base interactions energy: -171.233
where: short stacking energy: -128.292
Base-Backbone interact. energy: 5.504
local terms energy: -293.402137
where:
bonds (distance) C4'-P energy: -94.116
bonds (distance) P-C4' energy: -84.831
flat angles C4'-P-C4' energy: -74.433
flat angles P-C4'-P energy: -51.230
tors. eta vs tors. theta energy: 11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2065.287387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.287387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.287387 (E_RNA)
where:
Base-Base interactions energy: -1428.405
where: short stacking energy: -593.547
Base-Backbone interact. energy: 0.833
local terms energy: -637.715209
where:
bonds (distance) C4'-P energy: -115.940
bonds (distance) P-C4' energy: -113.024
flat angles C4'-P-C4' energy: -137.677
flat angles P-C4'-P energy: -96.274
tors. eta vs tors. theta energy: -174.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2021.647463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.647463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.647463 (E_RNA)
where:
Base-Base interactions energy: -1411.350
where: short stacking energy: -571.647
Base-Backbone interact. energy: 1.299
local terms energy: -611.596729
where:
bonds (distance) C4'-P energy: -118.004
bonds (distance) P-C4' energy: -126.838
flat angles C4'-P-C4' energy: -131.405
flat angles P-C4'-P energy: -73.721
tors. eta vs tors. theta energy: -161.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1921.267717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.267717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.267717 (E_RNA)
where:
Base-Base interactions energy: -1321.713
where: short stacking energy: -540.540
Base-Backbone interact. energy: -0.200
local terms energy: -599.354396
where:
bonds (distance) C4'-P energy: -103.211
bonds (distance) P-C4' energy: -119.994
flat angles C4'-P-C4' energy: -121.501
flat angles P-C4'-P energy: -82.428
tors. eta vs tors. theta energy: -172.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1847.007843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.007843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.007843 (E_RNA)
where:
Base-Base interactions energy: -1280.322
where: short stacking energy: -517.647
Base-Backbone interact. energy: -0.869
local terms energy: -565.817630
where:
bonds (distance) C4'-P energy: -112.792
bonds (distance) P-C4' energy: -108.011
flat angles C4'-P-C4' energy: -114.266
flat angles P-C4'-P energy: -68.238
tors. eta vs tors. theta energy: -162.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1769.344644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.344644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.344644 (E_RNA)
where:
Base-Base interactions energy: -1211.688
where: short stacking energy: -509.033
Base-Backbone interact. energy: 5.537
local terms energy: -563.193935
where:
bonds (distance) C4'-P energy: -111.723
bonds (distance) P-C4' energy: -111.109
flat angles C4'-P-C4' energy: -118.070
flat angles P-C4'-P energy: -71.694
tors. eta vs tors. theta energy: -150.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1607.645545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.645545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.645545 (E_RNA)
where:
Base-Base interactions energy: -1073.870
where: short stacking energy: -457.075
Base-Backbone interact. energy: 1.831
local terms energy: -535.607178
where:
bonds (distance) C4'-P energy: -106.283
bonds (distance) P-C4' energy: -91.915
flat angles C4'-P-C4' energy: -119.557
flat angles P-C4'-P energy: -89.528
tors. eta vs tors. theta energy: -128.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1329.555331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.555331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.555331 (E_RNA)
where:
Base-Base interactions energy: -850.136
where: short stacking energy: -409.002
Base-Backbone interact. energy: -2.553
local terms energy: -476.866533
where:
bonds (distance) C4'-P energy: -102.017
bonds (distance) P-C4' energy: -97.879
flat angles C4'-P-C4' energy: -120.191
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: -107.088
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: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1140.788632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.788632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.788632 (E_RNA)
where:
Base-Base interactions energy: -715.744
where: short stacking energy: -310.633
Base-Backbone interact. energy: 1.836
local terms energy: -426.881352
where:
bonds (distance) C4'-P energy: -97.732
bonds (distance) P-C4' energy: -117.546
flat angles C4'-P-C4' energy: -102.035
flat angles P-C4'-P energy: -45.708
tors. eta vs tors. theta energy: -63.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -614.860651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.860651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.860651 (E_RNA)
where:
Base-Base interactions energy: -282.157
where: short stacking energy: -153.971
Base-Backbone interact. energy: 1.294
local terms energy: -333.997197
where:
bonds (distance) C4'-P energy: -93.358
bonds (distance) P-C4' energy: -106.479
flat angles C4'-P-C4' energy: -79.281
flat angles P-C4'-P energy: -49.665
tors. eta vs tors. theta energy: -5.214
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: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -492.329005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.329005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.329005 (E_RNA)
where:
Base-Base interactions energy: -178.571
where: short stacking energy: -138.414
Base-Backbone interact. energy: -0.661
local terms energy: -313.096904
where:
bonds (distance) C4'-P energy: -100.414
bonds (distance) P-C4' energy: -112.755
flat angles C4'-P-C4' energy: -80.988
flat angles P-C4'-P energy: -41.842
tors. eta vs tors. theta energy: 22.902
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2068.363710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.363710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.363710 (E_RNA)
where:
Base-Base interactions energy: -1427.238
where: short stacking energy: -598.787
Base-Backbone interact. energy: -2.191
local terms energy: -638.934360
where:
bonds (distance) C4'-P energy: -117.455
bonds (distance) P-C4' energy: -121.807
flat angles C4'-P-C4' energy: -132.277
flat angles P-C4'-P energy: -91.870
tors. eta vs tors. theta energy: -175.526
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: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2032.725907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.725907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.725907 (E_RNA)
where:
Base-Base interactions energy: -1410.085
where: short stacking energy: -541.047
Base-Backbone interact. energy: -1.830
local terms energy: -620.810766
where:
bonds (distance) C4'-P energy: -117.914
bonds (distance) P-C4' energy: -124.435
flat angles C4'-P-C4' energy: -134.345
flat angles P-C4'-P energy: -83.175
tors. eta vs tors. theta energy: -160.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1940.151055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.151055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.151055 (E_RNA)
where:
Base-Base interactions energy: -1311.699
where: short stacking energy: -557.625
Base-Backbone interact. energy: -2.857
local terms energy: -625.594398
where:
bonds (distance) C4'-P energy: -110.652
bonds (distance) P-C4' energy: -111.186
flat angles C4'-P-C4' energy: -135.277
flat angles P-C4'-P energy: -98.061
tors. eta vs tors. theta energy: -170.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1845.073119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.073119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.073119 (E_RNA)
where:
Base-Base interactions energy: -1245.368
where: short stacking energy: -517.173
Base-Backbone interact. energy: -2.978
local terms energy: -596.727572
where:
bonds (distance) C4'-P energy: -104.437
bonds (distance) P-C4' energy: -124.859
flat angles C4'-P-C4' energy: -131.553
flat angles P-C4'-P energy: -78.506
tors. eta vs tors. theta energy: -157.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1814.173383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.173383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.173383 (E_RNA)
where:
Base-Base interactions energy: -1251.732
where: short stacking energy: -557.820
Base-Backbone interact. energy: 2.500
local terms energy: -564.941401
where:
bonds (distance) C4'-P energy: -97.945
bonds (distance) P-C4' energy: -105.406
flat angles C4'-P-C4' energy: -135.699
flat angles P-C4'-P energy: -70.641
tors. eta vs tors. theta energy: -155.251
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: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1535.228741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.228741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.228741 (E_RNA)
where:
Base-Base interactions energy: -1057.029
where: short stacking energy: -428.666
Base-Backbone interact. energy: 0.816
local terms energy: -479.015437
where:
bonds (distance) C4'-P energy: -98.552
bonds (distance) P-C4' energy: -105.742
flat angles C4'-P-C4' energy: -91.528
flat angles P-C4'-P energy: -69.688
tors. eta vs tors. theta energy: -113.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1316.986356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.986356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.986356 (E_RNA)
where:
Base-Base interactions energy: -852.490
where: short stacking energy: -386.467
Base-Backbone interact. energy: -1.919
local terms energy: -462.577112
where:
bonds (distance) C4'-P energy: -92.297
bonds (distance) P-C4' energy: -98.269
flat angles C4'-P-C4' energy: -109.347
flat angles P-C4'-P energy: -66.278
tors. eta vs tors. theta energy: -96.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1090.097500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.097500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.097500 (E_RNA)
where:
Base-Base interactions energy: -697.823
where: short stacking energy: -296.025
Base-Backbone interact. energy: -0.192
local terms energy: -392.083082
where:
bonds (distance) C4'-P energy: -101.302
bonds (distance) P-C4' energy: -95.389
flat angles C4'-P-C4' energy: -83.481
flat angles P-C4'-P energy: -64.539
tors. eta vs tors. theta energy: -47.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -665.741347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.741347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.741347 (E_RNA)
where:
Base-Base interactions energy: -293.878
where: short stacking energy: -152.810
Base-Backbone interact. energy: -0.661
local terms energy: -371.202316
where:
bonds (distance) C4'-P energy: -107.153
bonds (distance) P-C4' energy: -114.428
flat angles C4'-P-C4' energy: -90.090
flat angles P-C4'-P energy: -58.462
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -486.151018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.151018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.151018 (E_RNA)
where:
Base-Base interactions energy: -160.701
where: short stacking energy: -133.480
Base-Backbone interact. energy: -0.050
local terms energy: -325.399760
where:
bonds (distance) C4'-P energy: -103.262
bonds (distance) P-C4' energy: -106.663
flat angles C4'-P-C4' energy: -79.608
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: 23.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2076.308475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.308475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.308475 (E_RNA)
where:
Base-Base interactions energy: -1425.627
where: short stacking energy: -606.052
Base-Backbone interact. energy: -1.765
local terms energy: -648.915991
where:
bonds (distance) C4'-P energy: -130.144
bonds (distance) P-C4' energy: -123.145
flat angles C4'-P-C4' energy: -126.788
flat angles P-C4'-P energy: -88.414
tors. eta vs tors. theta energy: -180.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2037.710827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.710827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.710827 (E_RNA)
where:
Base-Base interactions energy: -1414.261
where: short stacking energy: -536.583
Base-Backbone interact. energy: -5.263
local terms energy: -618.187358
where:
bonds (distance) C4'-P energy: -106.772
bonds (distance) P-C4' energy: -122.632
flat angles C4'-P-C4' energy: -137.318
flat angles P-C4'-P energy: -86.659
tors. eta vs tors. theta energy: -164.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1944.007283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.007283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.007283 (E_RNA)
where:
Base-Base interactions energy: -1339.111
where: short stacking energy: -561.589
Base-Backbone interact. energy: -0.067
local terms energy: -604.829144
where:
bonds (distance) C4'-P energy: -113.016
bonds (distance) P-C4' energy: -118.680
flat angles C4'-P-C4' energy: -117.443
flat angles P-C4'-P energy: -84.492
tors. eta vs tors. theta energy: -171.199
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: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1823.051010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.051010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.051010 (E_RNA)
where:
Base-Base interactions energy: -1251.273
where: short stacking energy: -546.745
Base-Backbone interact. energy: 0.374
local terms energy: -572.152042
where:
bonds (distance) C4'-P energy: -108.727
bonds (distance) P-C4' energy: -100.554
flat angles C4'-P-C4' energy: -130.071
flat angles P-C4'-P energy: -67.777
tors. eta vs tors. theta energy: -165.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1806.482541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.482541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.482541 (E_RNA)
where:
Base-Base interactions energy: -1232.239
where: short stacking energy: -547.779
Base-Backbone interact. energy: -2.014
local terms energy: -572.229619
where:
bonds (distance) C4'-P energy: -94.674
bonds (distance) P-C4' energy: -108.484
flat angles C4'-P-C4' energy: -132.215
flat angles P-C4'-P energy: -65.000
tors. eta vs tors. theta energy: -171.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1509.068714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.068714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.068714 (E_RNA)
where:
Base-Base interactions energy: -1035.856
where: short stacking energy: -442.419
Base-Backbone interact. energy: -1.751
local terms energy: -471.461310
where:
bonds (distance) C4'-P energy: -94.856
bonds (distance) P-C4' energy: -100.927
flat angles C4'-P-C4' energy: -107.230
flat angles P-C4'-P energy: -57.352
tors. eta vs tors. theta energy: -111.097
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: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1342.712556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.712556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.712556 (E_RNA)
where:
Base-Base interactions energy: -875.400
where: short stacking energy: -392.148
Base-Backbone interact. energy: -4.756
local terms energy: -462.557266
where:
bonds (distance) C4'-P energy: -96.307
bonds (distance) P-C4' energy: -102.987
flat angles C4'-P-C4' energy: -115.964
flat angles P-C4'-P energy: -69.652
tors. eta vs tors. theta energy: -77.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1190.257045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.257045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.257045 (E_RNA)
where:
Base-Base interactions energy: -754.783
where: short stacking energy: -354.721
Base-Backbone interact. energy: -1.249
local terms energy: -434.225719
where:
bonds (distance) C4'-P energy: -98.171
bonds (distance) P-C4' energy: -94.695
flat angles C4'-P-C4' energy: -88.774
flat angles P-C4'-P energy: -69.143
tors. eta vs tors. theta energy: -83.443
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: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -704.309599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.309599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.309599 (E_RNA)
where:
Base-Base interactions energy: -361.581
where: short stacking energy: -210.384
Base-Backbone interact. energy: 1.406
local terms energy: -344.135043
where:
bonds (distance) C4'-P energy: -94.253
bonds (distance) P-C4' energy: -101.405
flat angles C4'-P-C4' energy: -84.382
flat angles P-C4'-P energy: -58.673
tors. eta vs tors. theta energy: -5.422
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: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -481.154955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.154955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.154955 (E_RNA)
where:
Base-Base interactions energy: -171.789
where: short stacking energy: -127.049
Base-Backbone interact. energy: -0.971
local terms energy: -308.394503
where:
bonds (distance) C4'-P energy: -101.411
bonds (distance) P-C4' energy: -102.122
flat angles C4'-P-C4' energy: -83.349
flat angles P-C4'-P energy: -40.406
tors. eta vs tors. theta energy: 18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2085.307838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.307838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.307838 (E_RNA)
where:
Base-Base interactions energy: -1441.676
where: short stacking energy: -590.736
Base-Backbone interact. energy: -3.470
local terms energy: -640.162070
where:
bonds (distance) C4'-P energy: -120.498
bonds (distance) P-C4' energy: -128.574
flat angles C4'-P-C4' energy: -126.850
flat angles P-C4'-P energy: -87.259
tors. eta vs tors. theta energy: -176.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2035.797124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.797124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.797124 (E_RNA)
where:
Base-Base interactions energy: -1443.485
where: short stacking energy: -578.328
Base-Backbone interact. energy: -5.052
local terms energy: -587.260420
where:
bonds (distance) C4'-P energy: -102.833
bonds (distance) P-C4' energy: -114.477
flat angles C4'-P-C4' energy: -123.643
flat angles P-C4'-P energy: -77.020
tors. eta vs tors. theta energy: -169.288
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: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1914.147115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.147115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.147115 (E_RNA)
where:
Base-Base interactions energy: -1316.822
where: short stacking energy: -555.030
Base-Backbone interact. energy: -2.700
local terms energy: -594.624738
where:
bonds (distance) C4'-P energy: -100.945
bonds (distance) P-C4' energy: -110.600
flat angles C4'-P-C4' energy: -131.329
flat angles P-C4'-P energy: -75.758
tors. eta vs tors. theta energy: -175.993
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: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1854.032041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.032041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.032041 (E_RNA)
where:
Base-Base interactions energy: -1263.151
where: short stacking energy: -569.808
Base-Backbone interact. energy: 4.163
local terms energy: -595.044656
where:
bonds (distance) C4'-P energy: -113.607
bonds (distance) P-C4' energy: -117.416
flat angles C4'-P-C4' energy: -129.219
flat angles P-C4'-P energy: -65.677
tors. eta vs tors. theta energy: -169.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1784.688375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.688375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.688375 (E_RNA)
where:
Base-Base interactions energy: -1240.868
where: short stacking energy: -512.413
Base-Backbone interact. energy: 1.332
local terms energy: -545.152737
where:
bonds (distance) C4'-P energy: -82.574
bonds (distance) P-C4' energy: -115.199
flat angles C4'-P-C4' energy: -122.124
flat angles P-C4'-P energy: -80.152
tors. eta vs tors. theta energy: -145.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1356.835484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.835484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.835484 (E_RNA)
where:
Base-Base interactions energy: -855.680
where: short stacking energy: -379.695
Base-Backbone interact. energy: 0.521
local terms energy: -501.676442
where:
bonds (distance) C4'-P energy: -97.183
bonds (distance) P-C4' energy: -117.886
flat angles C4'-P-C4' energy: -111.160
flat angles P-C4'-P energy: -70.184
tors. eta vs tors. theta energy: -105.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1478.793393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.793393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.793393 (E_RNA)
where:
Base-Base interactions energy: -1004.135
where: short stacking energy: -423.929
Base-Backbone interact. energy: -3.394
local terms energy: -471.264009
where:
bonds (distance) C4'-P energy: -82.907
bonds (distance) P-C4' energy: -81.926
flat angles C4'-P-C4' energy: -117.989
flat angles P-C4'-P energy: -73.177
tors. eta vs tors. theta energy: -115.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1150.740363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.740363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.740363 (E_RNA)
where:
Base-Base interactions energy: -741.966
where: short stacking energy: -345.876
Base-Backbone interact. energy: -2.801
local terms energy: -405.973224
where:
bonds (distance) C4'-P energy: -94.731
bonds (distance) P-C4' energy: -79.540
flat angles C4'-P-C4' energy: -94.550
flat angles P-C4'-P energy: -62.400
tors. eta vs tors. theta energy: -74.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -697.099754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.099754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.099754 (E_RNA)
where:
Base-Base interactions energy: -328.461
where: short stacking energy: -199.279
Base-Backbone interact. energy: -3.076
local terms energy: -365.562654
where:
bonds (distance) C4'-P energy: -90.951
bonds (distance) P-C4' energy: -107.186
flat angles C4'-P-C4' energy: -106.197
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -479.277247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.277247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.277247 (E_RNA)
where:
Base-Base interactions energy: -170.442
where: short stacking energy: -122.161
Base-Backbone interact. energy: -0.763
local terms energy: -308.072751
where:
bonds (distance) C4'-P energy: -93.883
bonds (distance) P-C4' energy: -105.254
flat angles C4'-P-C4' energy: -80.690
flat angles P-C4'-P energy: -49.747
tors. eta vs tors. theta energy: 21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2090.170293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.170293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.170293 (E_RNA)
where:
Base-Base interactions energy: -1455.263
where: short stacking energy: -619.659
Base-Backbone interact. energy: -0.136
local terms energy: -634.770704
where:
bonds (distance) C4'-P energy: -112.340
bonds (distance) P-C4' energy: -121.007
flat angles C4'-P-C4' energy: -123.214
flat angles P-C4'-P energy: -94.941
tors. eta vs tors. theta energy: -183.268
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: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2041.951795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.951795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.951795 (E_RNA)
where:
Base-Base interactions energy: -1430.487
where: short stacking energy: -572.520
Base-Backbone interact. energy: -2.808
local terms energy: -608.656332
where:
bonds (distance) C4'-P energy: -116.632
bonds (distance) P-C4' energy: -115.595
flat angles C4'-P-C4' energy: -123.037
flat angles P-C4'-P energy: -90.283
tors. eta vs tors. theta energy: -163.109
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: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1936.484091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.484091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.484091 (E_RNA)
where:
Base-Base interactions energy: -1326.536
where: short stacking energy: -580.876
Base-Backbone interact. energy: -2.981
local terms energy: -606.966976
where:
bonds (distance) C4'-P energy: -115.083
bonds (distance) P-C4' energy: -110.687
flat angles C4'-P-C4' energy: -132.137
flat angles P-C4'-P energy: -81.603
tors. eta vs tors. theta energy: -167.457
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: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1860.366106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.366106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.366106 (E_RNA)
where:
Base-Base interactions energy: -1279.063
where: short stacking energy: -554.177
Base-Backbone interact. energy: -0.915
local terms energy: -580.388685
where:
bonds (distance) C4'-P energy: -89.009
bonds (distance) P-C4' energy: -109.096
flat angles C4'-P-C4' energy: -129.392
flat angles P-C4'-P energy: -74.226
tors. eta vs tors. theta energy: -178.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1751.505875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.505875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.505875 (E_RNA)
where:
Base-Base interactions energy: -1209.696
where: short stacking energy: -482.237
Base-Backbone interact. energy: -2.058
local terms energy: -539.752045
where:
bonds (distance) C4'-P energy: -100.806
bonds (distance) P-C4' energy: -108.805
flat angles C4'-P-C4' energy: -110.769
flat angles P-C4'-P energy: -79.794
tors. eta vs tors. theta energy: -139.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1383.514754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.514754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.514754 (E_RNA)
where:
Base-Base interactions energy: -913.466
where: short stacking energy: -403.770
Base-Backbone interact. energy: -3.010
local terms energy: -467.038339
where:
bonds (distance) C4'-P energy: -102.946
bonds (distance) P-C4' energy: -105.899
flat angles C4'-P-C4' energy: -110.318
flat angles P-C4'-P energy: -53.656
tors. eta vs tors. theta energy: -94.219
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: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1441.786390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.786390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.786390 (E_RNA)
where:
Base-Base interactions energy: -967.813
where: short stacking energy: -418.732
Base-Backbone interact. energy: -2.691
local terms energy: -471.282413
where:
bonds (distance) C4'-P energy: -83.552
bonds (distance) P-C4' energy: -86.949
flat angles C4'-P-C4' energy: -108.699
flat angles P-C4'-P energy: -81.449
tors. eta vs tors. theta energy: -110.633
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: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1087.593248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.593248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.593248 (E_RNA)
where:
Base-Base interactions energy: -662.196
where: short stacking energy: -305.845
Base-Backbone interact. energy: -1.719
local terms energy: -423.677590
where:
bonds (distance) C4'-P energy: -101.958
bonds (distance) P-C4' energy: -105.604
flat angles C4'-P-C4' energy: -98.078
flat angles P-C4'-P energy: -64.439
tors. eta vs tors. theta energy: -53.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -701.184781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.184781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.184781 (E_RNA)
where:
Base-Base interactions energy: -354.371
where: short stacking energy: -180.746
Base-Backbone interact. energy: -4.759
local terms energy: -342.055445
where:
bonds (distance) C4'-P energy: -92.205
bonds (distance) P-C4' energy: -116.954
flat angles C4'-P-C4' energy: -88.571
flat angles P-C4'-P energy: -48.034
tors. eta vs tors. theta energy: 3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -530.481335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.481335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.481335 (E_RNA)
where:
Base-Base interactions energy: -204.462
where: short stacking energy: -121.507
Base-Backbone interact. energy: 1.682
local terms energy: -327.701200
where:
bonds (distance) C4'-P energy: -89.965
bonds (distance) P-C4' energy: -101.207
flat angles C4'-P-C4' energy: -103.144
flat angles P-C4'-P energy: -57.295
tors. eta vs tors. theta energy: 23.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2077.031965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.031965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.031965 (E_RNA)
where:
Base-Base interactions energy: -1442.407
where: short stacking energy: -614.126
Base-Backbone interact. energy: -0.806
local terms energy: -633.818865
where:
bonds (distance) C4'-P energy: -117.189
bonds (distance) P-C4' energy: -116.128
flat angles C4'-P-C4' energy: -131.100
flat angles P-C4'-P energy: -87.368
tors. eta vs tors. theta energy: -182.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2037.564217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.564217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.564217 (E_RNA)
where:
Base-Base interactions energy: -1446.288
where: short stacking energy: -557.537
Base-Backbone interact. energy: -4.791
local terms energy: -586.485418
where:
bonds (distance) C4'-P energy: -122.289
bonds (distance) P-C4' energy: -106.351
flat angles C4'-P-C4' energy: -121.643
flat angles P-C4'-P energy: -82.594
tors. eta vs tors. theta energy: -153.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1877.826032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.826032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.826032 (E_RNA)
where:
Base-Base interactions energy: -1287.643
where: short stacking energy: -560.097
Base-Backbone interact. energy: -4.163
local terms energy: -586.019805
where:
bonds (distance) C4'-P energy: -105.475
bonds (distance) P-C4' energy: -118.321
flat angles C4'-P-C4' energy: -125.314
flat angles P-C4'-P energy: -71.500
tors. eta vs tors. theta energy: -165.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1802.276157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.276157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.276157 (E_RNA)
where:
Base-Base interactions energy: -1260.465
where: short stacking energy: -529.118
Base-Backbone interact. energy: 0.542
local terms energy: -542.352700
where:
bonds (distance) C4'-P energy: -94.859
bonds (distance) P-C4' energy: -109.125
flat angles C4'-P-C4' energy: -127.315
flat angles P-C4'-P energy: -61.845
tors. eta vs tors. theta energy: -149.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1814.341415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.341415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.341415 (E_RNA)
where:
Base-Base interactions energy: -1243.100
where: short stacking energy: -558.233
Base-Backbone interact. energy: -0.014
local terms energy: -571.227568
where:
bonds (distance) C4'-P energy: -115.780
bonds (distance) P-C4' energy: -98.534
flat angles C4'-P-C4' energy: -115.314
flat angles P-C4'-P energy: -76.718
tors. eta vs tors. theta energy: -164.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1489.520146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.520146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.520146 (E_RNA)
where:
Base-Base interactions energy: -1004.291
where: short stacking energy: -431.517
Base-Backbone interact. energy: -0.848
local terms energy: -484.381435
where:
bonds (distance) C4'-P energy: -94.314
bonds (distance) P-C4' energy: -87.032
flat angles C4'-P-C4' energy: -98.382
flat angles P-C4'-P energy: -79.991
tors. eta vs tors. theta energy: -124.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1326.182065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.182065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.182065 (E_RNA)
where:
Base-Base interactions energy: -862.422
where: short stacking energy: -386.515
Base-Backbone interact. energy: -1.012
local terms energy: -462.748368
where:
bonds (distance) C4'-P energy: -77.612
bonds (distance) P-C4' energy: -123.317
flat angles C4'-P-C4' energy: -111.585
flat angles P-C4'-P energy: -56.110
tors. eta vs tors. theta energy: -94.125
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: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1069.531774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.531774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.531774 (E_RNA)
where:
Base-Base interactions energy: -671.153
where: short stacking energy: -303.103
Base-Backbone interact. energy: -1.630
local terms energy: -396.748801
where:
bonds (distance) C4'-P energy: -76.938
bonds (distance) P-C4' energy: -95.275
flat angles C4'-P-C4' energy: -98.074
flat angles P-C4'-P energy: -62.500
tors. eta vs tors. theta energy: -63.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -693.925753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.925753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.925753 (E_RNA)
where:
Base-Base interactions energy: -360.052
where: short stacking energy: -186.331
Base-Backbone interact. energy: -0.774
local terms energy: -333.099544
where:
bonds (distance) C4'-P energy: -84.256
bonds (distance) P-C4' energy: -112.925
flat angles C4'-P-C4' energy: -79.438
flat angles P-C4'-P energy: -59.993
tors. eta vs tors. theta energy: 3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -481.282799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.282799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.282799 (E_RNA)
where:
Base-Base interactions energy: -191.711
where: short stacking energy: -153.545
Base-Backbone interact. energy: -0.896
local terms energy: -288.676150
where:
bonds (distance) C4'-P energy: -79.525
bonds (distance) P-C4' energy: -104.576
flat angles C4'-P-C4' energy: -89.700
flat angles P-C4'-P energy: -42.571
tors. eta vs tors. theta energy: 27.696
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: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2071.092882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.092882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.092882 (E_RNA)
where:
Base-Base interactions energy: -1455.935
where: short stacking energy: -563.958
Base-Backbone interact. energy: -1.836
local terms energy: -613.321451
where:
bonds (distance) C4'-P energy: -115.418
bonds (distance) P-C4' energy: -116.502
flat angles C4'-P-C4' energy: -133.070
flat angles P-C4'-P energy: -86.368
tors. eta vs tors. theta energy: -161.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2037.017873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.017873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.017873 (E_RNA)
where:
Base-Base interactions energy: -1399.331
where: short stacking energy: -555.098
Base-Backbone interact. energy: -1.192
local terms energy: -636.494652
where:
bonds (distance) C4'-P energy: -113.251
bonds (distance) P-C4' energy: -121.629
flat angles C4'-P-C4' energy: -132.032
flat angles P-C4'-P energy: -94.727
tors. eta vs tors. theta energy: -174.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1929.310331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.310331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.310331 (E_RNA)
where:
Base-Base interactions energy: -1328.091
where: short stacking energy: -567.994
Base-Backbone interact. energy: -5.171
local terms energy: -596.047526
where:
bonds (distance) C4'-P energy: -105.521
bonds (distance) P-C4' energy: -97.525
flat angles C4'-P-C4' energy: -130.493
flat angles P-C4'-P energy: -93.974
tors. eta vs tors. theta energy: -168.535
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: 442
Temperature: 1.050000
Total energy: -1820.964332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.964332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.964332 (E_RNA)
where:
Base-Base interactions energy: -1276.816
where: short stacking energy: -525.938
Base-Backbone interact. energy: -3.642
local terms energy: -540.506320
where:
bonds (distance) C4'-P energy: -94.480
bonds (distance) P-C4' energy: -97.348
flat angles C4'-P-C4' energy: -125.710
flat angles P-C4'-P energy: -77.280
tors. eta vs tors. theta energy: -145.687
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: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1803.868705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.868705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.868705 (E_RNA)
where:
Base-Base interactions energy: -1224.881
where: short stacking energy: -518.433
Base-Backbone interact. energy: -1.982
local terms energy: -577.005439
where:
bonds (distance) C4'-P energy: -104.281
bonds (distance) P-C4' energy: -109.897
flat angles C4'-P-C4' energy: -123.769
flat angles P-C4'-P energy: -77.101
tors. eta vs tors. theta energy: -161.958
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: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1479.537635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.537635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.537635 (E_RNA)
where:
Base-Base interactions energy: -992.000
where: short stacking energy: -443.932
Base-Backbone interact. energy: -1.458
local terms energy: -486.079447
where:
bonds (distance) C4'-P energy: -104.693
bonds (distance) P-C4' energy: -100.405
flat angles C4'-P-C4' energy: -109.602
flat angles P-C4'-P energy: -59.883
tors. eta vs tors. theta energy: -111.497
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: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1312.971664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.971664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.971664 (E_RNA)
where:
Base-Base interactions energy: -857.761
where: short stacking energy: -364.454
Base-Backbone interact. energy: -0.673
local terms energy: -454.538058
where:
bonds (distance) C4'-P energy: -94.647
bonds (distance) P-C4' energy: -106.600
flat angles C4'-P-C4' energy: -115.577
flat angles P-C4'-P energy: -52.874
tors. eta vs tors. theta energy: -84.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1076.375044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.375044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.375044 (E_RNA)
where:
Base-Base interactions energy: -635.591
where: short stacking energy: -305.705
Base-Backbone interact. energy: -1.242
local terms energy: -439.541929
where:
bonds (distance) C4'-P energy: -115.866
bonds (distance) P-C4' energy: -109.208
flat angles C4'-P-C4' energy: -109.008
flat angles P-C4'-P energy: -45.113
tors. eta vs tors. theta energy: -60.347
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: 442
Temperature: 1.300000
Total energy: -792.173579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.173579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.173579 (E_RNA)
where:
Base-Base interactions energy: -433.530
where: short stacking energy: -220.710
Base-Backbone interact. energy: 7.515
local terms energy: -366.158998
where:
bonds (distance) C4'-P energy: -97.485
bonds (distance) P-C4' energy: -97.993
flat angles C4'-P-C4' energy: -86.402
flat angles P-C4'-P energy: -73.107
tors. eta vs tors. theta energy: -11.172
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: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -494.507553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.507553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.507553 (E_RNA)
where:
Base-Base interactions energy: -193.016
where: short stacking energy: -171.652
Base-Backbone interact. energy: -0.407
local terms energy: -301.085324
where:
bonds (distance) C4'-P energy: -86.549
bonds (distance) P-C4' energy: -83.220
flat angles C4'-P-C4' energy: -84.552
flat angles P-C4'-P energy: -54.911
tors. eta vs tors. theta energy: 8.147
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: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2081.605171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.605171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.605171 (E_RNA)
where:
Base-Base interactions energy: -1451.714
where: short stacking energy: -569.751
Base-Backbone interact. energy: 1.275
local terms energy: -631.165744
where:
bonds (distance) C4'-P energy: -121.510
bonds (distance) P-C4' energy: -125.665
flat angles C4'-P-C4' energy: -127.788
flat angles P-C4'-P energy: -93.940
tors. eta vs tors. theta energy: -162.263
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: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2059.205064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.205064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.205064 (E_RNA)
where:
Base-Base interactions energy: -1427.621
where: short stacking energy: -593.480
Base-Backbone interact. energy: -4.710
local terms energy: -626.874099
where:
bonds (distance) C4'-P energy: -108.204
bonds (distance) P-C4' energy: -120.315
flat angles C4'-P-C4' energy: -128.957
flat angles P-C4'-P energy: -85.225
tors. eta vs tors. theta energy: -184.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1942.489450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.489450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.489450 (E_RNA)
where:
Base-Base interactions energy: -1337.183
where: short stacking energy: -576.820
Base-Backbone interact. energy: -1.217
local terms energy: -604.089502
where:
bonds (distance) C4'-P energy: -118.639
bonds (distance) P-C4' energy: -109.898
flat angles C4'-P-C4' energy: -123.912
flat angles P-C4'-P energy: -82.642
tors. eta vs tors. theta energy: -168.998
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: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1788.878377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.878377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.878377 (E_RNA)
where:
Base-Base interactions energy: -1215.344
where: short stacking energy: -485.436
Base-Backbone interact. energy: -2.181
local terms energy: -571.352928
where:
bonds (distance) C4'-P energy: -113.714
bonds (distance) P-C4' energy: -105.516
flat angles C4'-P-C4' energy: -127.273
flat angles P-C4'-P energy: -90.091
tors. eta vs tors. theta energy: -134.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1745.634962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.634962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.634962 (E_RNA)
where:
Base-Base interactions energy: -1202.379
where: short stacking energy: -526.039
Base-Backbone interact. energy: -0.312
local terms energy: -542.944630
where:
bonds (distance) C4'-P energy: -85.822
bonds (distance) P-C4' energy: -94.819
flat angles C4'-P-C4' energy: -126.169
flat angles P-C4'-P energy: -85.516
tors. eta vs tors. theta energy: -150.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1518.167958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.167958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.167958 (E_RNA)
where:
Base-Base interactions energy: -1037.259
where: short stacking energy: -439.505
Base-Backbone interact. energy: -4.979
local terms energy: -475.929883
where:
bonds (distance) C4'-P energy: -98.401
bonds (distance) P-C4' energy: -81.897
flat angles C4'-P-C4' energy: -116.672
flat angles P-C4'-P energy: -57.295
tors. eta vs tors. theta energy: -121.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1285.120541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.120541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.120541 (E_RNA)
where:
Base-Base interactions energy: -829.275
where: short stacking energy: -370.266
Base-Backbone interact. energy: -0.487
local terms energy: -455.358798
where:
bonds (distance) C4'-P energy: -82.441
bonds (distance) P-C4' energy: -89.703
flat angles C4'-P-C4' energy: -106.517
flat angles P-C4'-P energy: -80.221
tors. eta vs tors. theta energy: -96.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1060.703552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.703552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.703552 (E_RNA)
where:
Base-Base interactions energy: -682.468
where: short stacking energy: -314.142
Base-Backbone interact. energy: -0.393
local terms energy: -377.842500
where:
bonds (distance) C4'-P energy: -84.309
bonds (distance) P-C4' energy: -94.194
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -39.577
tors. eta vs tors. theta energy: -64.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -711.761419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.761419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.761419 (E_RNA)
where:
Base-Base interactions energy: -371.416
where: short stacking energy: -233.336
Base-Backbone interact. energy: 1.924
local terms energy: -342.269264
where:
bonds (distance) C4'-P energy: -100.923
bonds (distance) P-C4' energy: -96.948
flat angles C4'-P-C4' energy: -73.039
flat angles P-C4'-P energy: -58.651
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -436.210082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.210082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.210082 (E_RNA)
where:
Base-Base interactions energy: -170.254
where: short stacking energy: -127.480
Base-Backbone interact. energy: 1.279
local terms energy: -267.235351
where:
bonds (distance) C4'-P energy: -83.272
bonds (distance) P-C4' energy: -87.747
flat angles C4'-P-C4' energy: -83.369
flat angles P-C4'-P energy: -27.368
tors. eta vs tors. theta energy: 14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2086.468337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.468337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.468337 (E_RNA)
where:
Base-Base interactions energy: -1457.008
where: short stacking energy: -599.693
Base-Backbone interact. energy: -1.858
local terms energy: -627.602115
where:
bonds (distance) C4'-P energy: -116.549
bonds (distance) P-C4' energy: -121.456
flat angles C4'-P-C4' energy: -130.367
flat angles P-C4'-P energy: -83.326
tors. eta vs tors. theta energy: -175.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2029.646040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.646040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.646040 (E_RNA)
where:
Base-Base interactions energy: -1405.306
where: short stacking energy: -560.682
Base-Backbone interact. energy: 1.168
local terms energy: -625.507067
where:
bonds (distance) C4'-P energy: -119.132
bonds (distance) P-C4' energy: -121.740
flat angles C4'-P-C4' energy: -125.353
flat angles P-C4'-P energy: -92.526
tors. eta vs tors. theta energy: -166.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1943.358025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.358025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.358025 (E_RNA)
where:
Base-Base interactions energy: -1343.632
where: short stacking energy: -589.167
Base-Backbone interact. energy: -3.472
local terms energy: -596.254287
where:
bonds (distance) C4'-P energy: -100.818
bonds (distance) P-C4' energy: -112.391
flat angles C4'-P-C4' energy: -124.579
flat angles P-C4'-P energy: -73.952
tors. eta vs tors. theta energy: -184.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1786.708828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.708828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.708828 (E_RNA)
where:
Base-Base interactions energy: -1217.399
where: short stacking energy: -514.918
Base-Backbone interact. energy: -0.378
local terms energy: -568.932261
where:
bonds (distance) C4'-P energy: -97.515
bonds (distance) P-C4' energy: -116.604
flat angles C4'-P-C4' energy: -130.895
flat angles P-C4'-P energy: -76.973
tors. eta vs tors. theta energy: -146.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1750.439915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.439915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.439915 (E_RNA)
where:
Base-Base interactions energy: -1198.393
where: short stacking energy: -512.330
Base-Backbone interact. energy: -1.412
local terms energy: -550.635200
where:
bonds (distance) C4'-P energy: -104.537
bonds (distance) P-C4' energy: -109.604
flat angles C4'-P-C4' energy: -115.726
flat angles P-C4'-P energy: -71.913
tors. eta vs tors. theta energy: -148.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1522.167132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.167132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.167132 (E_RNA)
where:
Base-Base interactions energy: -999.054
where: short stacking energy: -421.913
Base-Backbone interact. energy: -1.859
local terms energy: -521.254615
where:
bonds (distance) C4'-P energy: -109.421
bonds (distance) P-C4' energy: -111.577
flat angles C4'-P-C4' energy: -119.354
flat angles P-C4'-P energy: -70.249
tors. eta vs tors. theta energy: -110.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1320.187311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.187311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.187311 (E_RNA)
where:
Base-Base interactions energy: -861.632
where: short stacking energy: -399.581
Base-Backbone interact. energy: -1.508
local terms energy: -457.047320
where:
bonds (distance) C4'-P energy: -106.298
bonds (distance) P-C4' energy: -106.166
flat angles C4'-P-C4' energy: -106.784
flat angles P-C4'-P energy: -51.176
tors. eta vs tors. theta energy: -86.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1016.373970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.373970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.373970 (E_RNA)
where:
Base-Base interactions energy: -607.302
where: short stacking energy: -282.153
Base-Backbone interact. energy: 1.360
local terms energy: -410.432485
where:
bonds (distance) C4'-P energy: -111.697
bonds (distance) P-C4' energy: -102.310
flat angles C4'-P-C4' energy: -93.828
flat angles P-C4'-P energy: -51.898
tors. eta vs tors. theta energy: -50.699
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: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -709.366944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.366944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.366944 (E_RNA)
where:
Base-Base interactions energy: -398.651
where: short stacking energy: -188.558
Base-Backbone interact. energy: 1.842
local terms energy: -312.557811
where:
bonds (distance) C4'-P energy: -90.826
bonds (distance) P-C4' energy: -94.163
flat angles C4'-P-C4' energy: -75.337
flat angles P-C4'-P energy: -46.944
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -464.040610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.040610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.040610 (E_RNA)
where:
Base-Base interactions energy: -146.775
where: short stacking energy: -136.002
Base-Backbone interact. energy: 0.917
local terms energy: -318.182291
where:
bonds (distance) C4'-P energy: -93.942
bonds (distance) P-C4' energy: -85.653
flat angles C4'-P-C4' energy: -79.747
flat angles P-C4'-P energy: -53.895
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2064.295942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.295942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.295942 (E_RNA)
where:
Base-Base interactions energy: -1425.532
where: short stacking energy: -562.927
Base-Backbone interact. energy: -2.653
local terms energy: -636.110563
where:
bonds (distance) C4'-P energy: -126.037
bonds (distance) P-C4' energy: -108.592
flat angles C4'-P-C4' energy: -135.272
flat angles P-C4'-P energy: -100.315
tors. eta vs tors. theta energy: -165.894
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: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2000.602106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.602106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.602106 (E_RNA)
where:
Base-Base interactions energy: -1368.589
where: short stacking energy: -593.220
Base-Backbone interact. energy: -2.628
local terms energy: -629.384423
where:
bonds (distance) C4'-P energy: -109.444
bonds (distance) P-C4' energy: -120.400
flat angles C4'-P-C4' energy: -128.352
flat angles P-C4'-P energy: -93.141
tors. eta vs tors. theta energy: -178.047
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: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1958.889563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.889563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.889563 (E_RNA)
where:
Base-Base interactions energy: -1369.440
where: short stacking energy: -560.885
Base-Backbone interact. energy: -1.470
local terms energy: -587.979936
where:
bonds (distance) C4'-P energy: -107.001
bonds (distance) P-C4' energy: -104.870
flat angles C4'-P-C4' energy: -129.283
flat angles P-C4'-P energy: -80.658
tors. eta vs tors. theta energy: -166.168
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: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1785.861761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.861761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.861761 (E_RNA)
where:
Base-Base interactions energy: -1200.467
where: short stacking energy: -490.677
Base-Backbone interact. energy: -2.919
local terms energy: -582.475481
where:
bonds (distance) C4'-P energy: -114.809
bonds (distance) P-C4' energy: -114.506
flat angles C4'-P-C4' energy: -123.849
flat angles P-C4'-P energy: -82.718
tors. eta vs tors. theta energy: -146.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1753.530446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.530446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.530446 (E_RNA)
where:
Base-Base interactions energy: -1193.177
where: short stacking energy: -525.910
Base-Backbone interact. energy: 0.489
local terms energy: -560.842676
where:
bonds (distance) C4'-P energy: -94.378
bonds (distance) P-C4' energy: -102.520
flat angles C4'-P-C4' energy: -132.455
flat angles P-C4'-P energy: -74.485
tors. eta vs tors. theta energy: -157.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1541.485760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.485760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.485760 (E_RNA)
where:
Base-Base interactions energy: -1019.799
where: short stacking energy: -449.958
Base-Backbone interact. energy: -0.087
local terms energy: -521.599984
where:
bonds (distance) C4'-P energy: -96.724
bonds (distance) P-C4' energy: -104.290
flat angles C4'-P-C4' energy: -121.978
flat angles P-C4'-P energy: -72.493
tors. eta vs tors. theta energy: -126.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1344.160884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.160884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.160884 (E_RNA)
where:
Base-Base interactions energy: -896.688
where: short stacking energy: -366.675
Base-Backbone interact. energy: 8.290
local terms energy: -455.762905
where:
bonds (distance) C4'-P energy: -93.241
bonds (distance) P-C4' energy: -112.137
flat angles C4'-P-C4' energy: -106.367
flat angles P-C4'-P energy: -64.697
tors. eta vs tors. theta energy: -79.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1081.171883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.171883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.171883 (E_RNA)
where:
Base-Base interactions energy: -664.428
where: short stacking energy: -329.894
Base-Backbone interact. energy: 0.379
local terms energy: -417.123101
where:
bonds (distance) C4'-P energy: -90.594
bonds (distance) P-C4' energy: -95.813
flat angles C4'-P-C4' energy: -93.371
flat angles P-C4'-P energy: -66.593
tors. eta vs tors. theta energy: -70.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -666.327133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.327133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.327133 (E_RNA)
where:
Base-Base interactions energy: -346.776
where: short stacking energy: -178.129
Base-Backbone interact. energy: -0.960
local terms energy: -318.590511
where:
bonds (distance) C4'-P energy: -90.557
bonds (distance) P-C4' energy: -86.306
flat angles C4'-P-C4' energy: -96.001
flat angles P-C4'-P energy: -45.650
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -466.980636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.980636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.980636 (E_RNA)
where:
Base-Base interactions energy: -184.816
where: short stacking energy: -136.854
Base-Backbone interact. energy: 1.632
local terms energy: -283.796048
where:
bonds (distance) C4'-P energy: -77.260
bonds (distance) P-C4' energy: -94.898
flat angles C4'-P-C4' energy: -96.457
flat angles P-C4'-P energy: -43.780
tors. eta vs tors. theta energy: 28.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2092.432217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.432217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.432217 (E_RNA)
where:
Base-Base interactions energy: -1457.877
where: short stacking energy: -577.616
Base-Backbone interact. energy: -2.807
local terms energy: -631.748531
where:
bonds (distance) C4'-P energy: -113.648
bonds (distance) P-C4' energy: -119.745
flat angles C4'-P-C4' energy: -133.883
flat angles P-C4'-P energy: -90.927
tors. eta vs tors. theta energy: -173.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1983.310201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.310201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.310201 (E_RNA)
where:
Base-Base interactions energy: -1348.841
where: short stacking energy: -605.158
Base-Backbone interact. energy: -3.365
local terms energy: -631.103489
where:
bonds (distance) C4'-P energy: -124.426
bonds (distance) P-C4' energy: -119.133
flat angles C4'-P-C4' energy: -126.816
flat angles P-C4'-P energy: -82.541
tors. eta vs tors. theta energy: -178.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1977.449421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.449421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.449421 (E_RNA)
where:
Base-Base interactions energy: -1365.294
where: short stacking energy: -537.032
Base-Backbone interact. energy: -2.119
local terms energy: -610.036645
where:
bonds (distance) C4'-P energy: -108.220
bonds (distance) P-C4' energy: -113.147
flat angles C4'-P-C4' energy: -133.322
flat angles P-C4'-P energy: -83.083
tors. eta vs tors. theta energy: -172.264
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: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1783.263999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.263999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.263999 (E_RNA)
where:
Base-Base interactions energy: -1224.576
where: short stacking energy: -518.105
Base-Backbone interact. energy: -1.264
local terms energy: -557.424658
where:
bonds (distance) C4'-P energy: -99.244
bonds (distance) P-C4' energy: -113.239
flat angles C4'-P-C4' energy: -126.464
flat angles P-C4'-P energy: -72.525
tors. eta vs tors. theta energy: -145.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1782.514507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.514507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.514507 (E_RNA)
where:
Base-Base interactions energy: -1215.162
where: short stacking energy: -554.830
Base-Backbone interact. energy: 4.027
local terms energy: -571.379464
where:
bonds (distance) C4'-P energy: -101.771
bonds (distance) P-C4' energy: -95.110
flat angles C4'-P-C4' energy: -130.963
flat angles P-C4'-P energy: -76.614
tors. eta vs tors. theta energy: -166.921
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: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1576.685113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.685113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.685113 (E_RNA)
where:
Base-Base interactions energy: -1072.103
where: short stacking energy: -465.581
Base-Backbone interact. energy: -0.727
local terms energy: -503.854855
where:
bonds (distance) C4'-P energy: -97.483
bonds (distance) P-C4' energy: -93.005
flat angles C4'-P-C4' energy: -112.871
flat angles P-C4'-P energy: -56.773
tors. eta vs tors. theta energy: -143.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1291.843646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.843646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.843646 (E_RNA)
where:
Base-Base interactions energy: -837.937
where: short stacking energy: -347.088
Base-Backbone interact. energy: -1.912
local terms energy: -451.994859
where:
bonds (distance) C4'-P energy: -101.972
bonds (distance) P-C4' energy: -108.682
flat angles C4'-P-C4' energy: -105.725
flat angles P-C4'-P energy: -44.623
tors. eta vs tors. theta energy: -90.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1078.752384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.752384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.752384 (E_RNA)
where:
Base-Base interactions energy: -689.833
where: short stacking energy: -283.755
Base-Backbone interact. energy: 1.444
local terms energy: -390.364176
where:
bonds (distance) C4'-P energy: -99.386
bonds (distance) P-C4' energy: -94.933
flat angles C4'-P-C4' energy: -87.473
flat angles P-C4'-P energy: -57.368
tors. eta vs tors. theta energy: -51.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -619.547110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.547110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.547110 (E_RNA)
where:
Base-Base interactions energy: -278.781
where: short stacking energy: -153.243
Base-Backbone interact. energy: 2.981
local terms energy: -343.747370
where:
bonds (distance) C4'-P energy: -93.450
bonds (distance) P-C4' energy: -102.794
flat angles C4'-P-C4' energy: -85.807
flat angles P-C4'-P energy: -51.677
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -462.727915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.727915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.727915 (E_RNA)
where:
Base-Base interactions energy: -130.907
where: short stacking energy: -104.694
Base-Backbone interact. energy: -0.371
local terms energy: -331.449168
where:
bonds (distance) C4'-P energy: -86.086
bonds (distance) P-C4' energy: -107.934
flat angles C4'-P-C4' energy: -100.659
flat angles P-C4'-P energy: -64.902
tors. eta vs tors. theta energy: 28.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2070.339562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.339562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.339562 (E_RNA)
where:
Base-Base interactions energy: -1446.448
where: short stacking energy: -564.446
Base-Backbone interact. energy: -0.886
local terms energy: -623.005954
where:
bonds (distance) C4'-P energy: -106.608
bonds (distance) P-C4' energy: -118.025
flat angles C4'-P-C4' energy: -131.007
flat angles P-C4'-P energy: -100.223
tors. eta vs tors. theta energy: -167.143
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: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2037.211716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.211716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.211716 (E_RNA)
where:
Base-Base interactions energy: -1402.792
where: short stacking energy: -573.717
Base-Backbone interact. energy: -0.099
local terms energy: -634.321390
where:
bonds (distance) C4'-P energy: -116.057
bonds (distance) P-C4' energy: -120.178
flat angles C4'-P-C4' energy: -130.551
flat angles P-C4'-P energy: -86.992
tors. eta vs tors. theta energy: -180.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1930.378998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.378998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.378998 (E_RNA)
where:
Base-Base interactions energy: -1317.296
where: short stacking energy: -588.603
Base-Backbone interact. energy: -2.010
local terms energy: -611.072407
where:
bonds (distance) C4'-P energy: -111.369
bonds (distance) P-C4' energy: -111.058
flat angles C4'-P-C4' energy: -120.978
flat angles P-C4'-P energy: -83.911
tors. eta vs tors. theta energy: -183.756
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: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1750.032111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.032111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.032111 (E_RNA)
where:
Base-Base interactions energy: -1202.925
where: short stacking energy: -505.879
Base-Backbone interact. energy: -2.190
local terms energy: -544.916514
where:
bonds (distance) C4'-P energy: -102.722
bonds (distance) P-C4' energy: -106.604
flat angles C4'-P-C4' energy: -107.368
flat angles P-C4'-P energy: -76.864
tors. eta vs tors. theta energy: -151.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1733.366043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.366043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.366043 (E_RNA)
where:
Base-Base interactions energy: -1157.147
where: short stacking energy: -519.854
Base-Backbone interact. energy: -1.237
local terms energy: -574.982216
where:
bonds (distance) C4'-P energy: -112.730
bonds (distance) P-C4' energy: -113.466
flat angles C4'-P-C4' energy: -121.417
flat angles P-C4'-P energy: -79.226
tors. eta vs tors. theta energy: -148.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1606.845777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.845777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.845777 (E_RNA)
where:
Base-Base interactions energy: -1061.065
where: short stacking energy: -473.209
Base-Backbone interact. energy: -3.482
local terms energy: -542.298634
where:
bonds (distance) C4'-P energy: -102.431
bonds (distance) P-C4' energy: -116.477
flat angles C4'-P-C4' energy: -117.834
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -139.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1343.055122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.055122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.055122 (E_RNA)
where:
Base-Base interactions energy: -875.116
where: short stacking energy: -401.999
Base-Backbone interact. energy: -2.178
local terms energy: -465.761175
where:
bonds (distance) C4'-P energy: -84.557
bonds (distance) P-C4' energy: -104.899
flat angles C4'-P-C4' energy: -102.145
flat angles P-C4'-P energy: -74.688
tors. eta vs tors. theta energy: -99.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1025.872370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.872370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.872370 (E_RNA)
where:
Base-Base interactions energy: -625.856
where: short stacking energy: -319.639
Base-Backbone interact. energy: 1.727
local terms energy: -401.744193
where:
bonds (distance) C4'-P energy: -92.766
bonds (distance) P-C4' energy: -108.369
flat angles C4'-P-C4' energy: -98.038
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -45.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -602.552510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.552510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.552510 (E_RNA)
where:
Base-Base interactions energy: -242.829
where: short stacking energy: -165.815
Base-Backbone interact. energy: 4.786
local terms energy: -364.510227
where:
bonds (distance) C4'-P energy: -93.427
bonds (distance) P-C4' energy: -111.547
flat angles C4'-P-C4' energy: -105.829
flat angles P-C4'-P energy: -58.161
tors. eta vs tors. theta energy: 4.454
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: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -466.353947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.353947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.353947 (E_RNA)
where:
Base-Base interactions energy: -192.558
where: short stacking energy: -123.457
Base-Backbone interact. energy: -2.118
local terms energy: -271.677927
where:
bonds (distance) C4'-P energy: -97.033
bonds (distance) P-C4' energy: -95.431
flat angles C4'-P-C4' energy: -65.989
flat angles P-C4'-P energy: -34.058
tors. eta vs tors. theta energy: 20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2097.936568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.936568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.936568 (E_RNA)
where:
Base-Base interactions energy: -1480.188
where: short stacking energy: -593.967
Base-Backbone interact. energy: 1.582
local terms energy: -619.330116
where:
bonds (distance) C4'-P energy: -111.033
bonds (distance) P-C4' energy: -117.664
flat angles C4'-P-C4' energy: -124.702
flat angles P-C4'-P energy: -91.720
tors. eta vs tors. theta energy: -174.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2011.166875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.166875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.166875 (E_RNA)
where:
Base-Base interactions energy: -1404.280
where: short stacking energy: -566.890
Base-Backbone interact. energy: -1.569
local terms energy: -605.317562
where:
bonds (distance) C4'-P energy: -108.949
bonds (distance) P-C4' energy: -117.664
flat angles C4'-P-C4' energy: -123.398
flat angles P-C4'-P energy: -84.566
tors. eta vs tors. theta energy: -170.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1931.181026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.181026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.181026 (E_RNA)
where:
Base-Base interactions energy: -1313.705
where: short stacking energy: -579.356
Base-Backbone interact. energy: -1.196
local terms energy: -616.279309
where:
bonds (distance) C4'-P energy: -116.895
bonds (distance) P-C4' energy: -123.149
flat angles C4'-P-C4' energy: -124.379
flat angles P-C4'-P energy: -81.578
tors. eta vs tors. theta energy: -170.278
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: 448
Temperature: 1.050000
Total energy: -1769.017135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.017135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.017135 (E_RNA)
where:
Base-Base interactions energy: -1213.704
where: short stacking energy: -491.293
Base-Backbone interact. energy: -0.460
local terms energy: -554.853120
where:
bonds (distance) C4'-P energy: -100.151
bonds (distance) P-C4' energy: -122.870
flat angles C4'-P-C4' energy: -120.733
flat angles P-C4'-P energy: -84.655
tors. eta vs tors. theta energy: -126.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1657.827333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.827333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.827333 (E_RNA)
where:
Base-Base interactions energy: -1118.380
where: short stacking energy: -475.973
Base-Backbone interact. energy: -2.134
local terms energy: -537.313108
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -112.706
flat angles C4'-P-C4' energy: -119.612
flat angles P-C4'-P energy: -85.976
tors. eta vs tors. theta energy: -136.635
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1560.528823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.528823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.528823 (E_RNA)
where:
Base-Base interactions energy: -1019.740
where: short stacking energy: -446.436
Base-Backbone interact. energy: -2.817
local terms energy: -537.971283
where:
bonds (distance) C4'-P energy: -100.083
bonds (distance) P-C4' energy: -108.502
flat angles C4'-P-C4' energy: -119.106
flat angles P-C4'-P energy: -71.394
tors. eta vs tors. theta energy: -138.886
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: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1331.497541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.497541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.497541 (E_RNA)
where:
Base-Base interactions energy: -851.370
where: short stacking energy: -377.240
Base-Backbone interact. energy: 1.867
local terms energy: -481.994515
where:
bonds (distance) C4'-P energy: -104.292
bonds (distance) P-C4' energy: -118.150
flat angles C4'-P-C4' energy: -106.649
flat angles P-C4'-P energy: -62.788
tors. eta vs tors. theta energy: -90.115
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: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1135.046169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.046169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.046169 (E_RNA)
where:
Base-Base interactions energy: -685.846
where: short stacking energy: -313.117
Base-Backbone interact. energy: -0.360
local terms energy: -448.839801
where:
bonds (distance) C4'-P energy: -106.576
bonds (distance) P-C4' energy: -104.989
flat angles C4'-P-C4' energy: -104.625
flat angles P-C4'-P energy: -65.568
tors. eta vs tors. theta energy: -67.082
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: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -587.231401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.231401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.231401 (E_RNA)
where:
Base-Base interactions energy: -286.363
where: short stacking energy: -148.628
Base-Backbone interact. energy: -1.070
local terms energy: -299.798750
where:
bonds (distance) C4'-P energy: -99.273
bonds (distance) P-C4' energy: -97.584
flat angles C4'-P-C4' energy: -92.171
flat angles P-C4'-P energy: -26.002
tors. eta vs tors. theta energy: 15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -437.853005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.853005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.853005 (E_RNA)
where:
Base-Base interactions energy: -128.198
where: short stacking energy: -118.104
Base-Backbone interact. energy: 0.557
local terms energy: -310.211378
where:
bonds (distance) C4'-P energy: -102.962
bonds (distance) P-C4' energy: -85.324
flat angles C4'-P-C4' energy: -82.925
flat angles P-C4'-P energy: -56.863
tors. eta vs tors. theta energy: 17.863
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: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2088.829647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.829647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.829647 (E_RNA)
where:
Base-Base interactions energy: -1455.560
where: short stacking energy: -586.436
Base-Backbone interact. energy: -1.688
local terms energy: -631.581157
where:
bonds (distance) C4'-P energy: -114.792
bonds (distance) P-C4' energy: -124.353
flat angles C4'-P-C4' energy: -135.073
flat angles P-C4'-P energy: -82.383
tors. eta vs tors. theta energy: -174.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1993.302412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.302412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.302412 (E_RNA)
where:
Base-Base interactions energy: -1398.930
where: short stacking energy: -557.449
Base-Backbone interact. energy: 1.669
local terms energy: -596.041059
where:
bonds (distance) C4'-P energy: -102.168
bonds (distance) P-C4' energy: -124.151
flat angles C4'-P-C4' energy: -132.149
flat angles P-C4'-P energy: -77.735
tors. eta vs tors. theta energy: -159.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1941.667980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.667980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.667980 (E_RNA)
where:
Base-Base interactions energy: -1354.550
where: short stacking energy: -571.277
Base-Backbone interact. energy: -1.394
local terms energy: -585.723999
where:
bonds (distance) C4'-P energy: -96.122
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -120.690
flat angles P-C4'-P energy: -90.356
tors. eta vs tors. theta energy: -176.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1794.504318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.504318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.504318 (E_RNA)
where:
Base-Base interactions energy: -1264.109
where: short stacking energy: -518.242
Base-Backbone interact. energy: -0.421
local terms energy: -529.974233
where:
bonds (distance) C4'-P energy: -94.025
bonds (distance) P-C4' energy: -102.537
flat angles C4'-P-C4' energy: -118.238
flat angles P-C4'-P energy: -75.978
tors. eta vs tors. theta energy: -139.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1687.448100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.448100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.448100 (E_RNA)
where:
Base-Base interactions energy: -1120.278
where: short stacking energy: -499.318
Base-Backbone interact. energy: -0.408
local terms energy: -566.762668
where:
bonds (distance) C4'-P energy: -118.093
bonds (distance) P-C4' energy: -118.875
flat angles C4'-P-C4' energy: -109.131
flat angles P-C4'-P energy: -76.707
tors. eta vs tors. theta energy: -143.956
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: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1569.207158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.207158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.207158 (E_RNA)
where:
Base-Base interactions energy: -1059.348
where: short stacking energy: -448.059
Base-Backbone interact. energy: -1.716
local terms energy: -508.143233
where:
bonds (distance) C4'-P energy: -95.424
bonds (distance) P-C4' energy: -90.959
flat angles C4'-P-C4' energy: -118.857
flat angles P-C4'-P energy: -79.351
tors. eta vs tors. theta energy: -123.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1317.157133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.157133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.157133 (E_RNA)
where:
Base-Base interactions energy: -853.851
where: short stacking energy: -397.592
Base-Backbone interact. energy: -2.315
local terms energy: -460.991506
where:
bonds (distance) C4'-P energy: -91.905
bonds (distance) P-C4' energy: -109.312
flat angles C4'-P-C4' energy: -112.800
flat angles P-C4'-P energy: -46.844
tors. eta vs tors. theta energy: -100.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1103.460299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.460299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.460299 (E_RNA)
where:
Base-Base interactions energy: -708.572
where: short stacking energy: -317.984
Base-Backbone interact. energy: -1.453
local terms energy: -393.435246
where:
bonds (distance) C4'-P energy: -103.786
bonds (distance) P-C4' energy: -95.554
flat angles C4'-P-C4' energy: -93.676
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -60.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -624.335324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.335324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.335324 (E_RNA)
where:
Base-Base interactions energy: -294.982
where: short stacking energy: -177.076
Base-Backbone interact. energy: -2.631
local terms energy: -326.721826
where:
bonds (distance) C4'-P energy: -84.502
bonds (distance) P-C4' energy: -105.247
flat angles C4'-P-C4' energy: -74.250
flat angles P-C4'-P energy: -63.735
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -450.278741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.278741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.278741 (E_RNA)
where:
Base-Base interactions energy: -155.120
where: short stacking energy: -143.309
Base-Backbone interact. energy: -0.652
local terms energy: -294.506889
where:
bonds (distance) C4'-P energy: -105.642
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -65.249
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: 12.246
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: 450
Temperature: 0.900000
Total energy: -2067.329921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.329921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.329921 (E_RNA)
where:
Base-Base interactions energy: -1446.576
where: short stacking energy: -568.963
Base-Backbone interact. energy: -2.756
local terms energy: -617.997959
where:
bonds (distance) C4'-P energy: -113.862
bonds (distance) P-C4' energy: -108.492
flat angles C4'-P-C4' energy: -128.571
flat angles P-C4'-P energy: -94.404
tors. eta vs tors. theta energy: -172.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2006.781873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.781873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.781873 (E_RNA)
where:
Base-Base interactions energy: -1377.770
where: short stacking energy: -572.285
Base-Backbone interact. energy: -1.955
local terms energy: -627.057218
where:
bonds (distance) C4'-P energy: -119.644
bonds (distance) P-C4' energy: -113.192
flat angles C4'-P-C4' energy: -124.361
flat angles P-C4'-P energy: -94.021
tors. eta vs tors. theta energy: -175.839
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: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1940.876471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.876471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.876471 (E_RNA)
where:
Base-Base interactions energy: -1317.083
where: short stacking energy: -580.189
Base-Backbone interact. energy: -0.365
local terms energy: -623.427965
where:
bonds (distance) C4'-P energy: -110.707
bonds (distance) P-C4' energy: -118.363
flat angles C4'-P-C4' energy: -129.999
flat angles P-C4'-P energy: -89.374
tors. eta vs tors. theta energy: -174.985
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: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1825.372645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.372645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.372645 (E_RNA)
where:
Base-Base interactions energy: -1281.985
where: short stacking energy: -520.527
Base-Backbone interact. energy: 1.610
local terms energy: -544.997836
where:
bonds (distance) C4'-P energy: -104.932
bonds (distance) P-C4' energy: -110.846
flat angles C4'-P-C4' energy: -117.750
flat angles P-C4'-P energy: -66.848
tors. eta vs tors. theta energy: -144.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1721.406227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.406227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.406227 (E_RNA)
where:
Base-Base interactions energy: -1158.774
where: short stacking energy: -505.089
Base-Backbone interact. energy: 4.134
local terms energy: -566.766346
where:
bonds (distance) C4'-P energy: -104.526
bonds (distance) P-C4' energy: -102.728
flat angles C4'-P-C4' energy: -114.163
flat angles P-C4'-P energy: -87.220
tors. eta vs tors. theta energy: -158.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1519.547708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.547708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.547708 (E_RNA)
where:
Base-Base interactions energy: -1010.553
where: short stacking energy: -420.621
Base-Backbone interact. energy: 1.266
local terms energy: -510.260389
where:
bonds (distance) C4'-P energy: -92.329
bonds (distance) P-C4' energy: -105.036
flat angles C4'-P-C4' energy: -112.811
flat angles P-C4'-P energy: -84.366
tors. eta vs tors. theta energy: -115.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1319.546761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.546761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.546761 (E_RNA)
where:
Base-Base interactions energy: -864.146
where: short stacking energy: -368.893
Base-Backbone interact. energy: -0.823
local terms energy: -454.577050
where:
bonds (distance) C4'-P energy: -99.456
bonds (distance) P-C4' energy: -97.331
flat angles C4'-P-C4' energy: -105.670
flat angles P-C4'-P energy: -61.139
tors. eta vs tors. theta energy: -90.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1112.819369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.819369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.819369 (E_RNA)
where:
Base-Base interactions energy: -675.573
where: short stacking energy: -298.530
Base-Backbone interact. energy: -3.399
local terms energy: -433.847604
where:
bonds (distance) C4'-P energy: -100.898
bonds (distance) P-C4' energy: -99.997
flat angles C4'-P-C4' energy: -106.481
flat angles P-C4'-P energy: -63.259
tors. eta vs tors. theta energy: -63.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -613.350722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.350722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.350722 (E_RNA)
where:
Base-Base interactions energy: -284.101
where: short stacking energy: -189.692
Base-Backbone interact. energy: 0.873
local terms energy: -330.122680
where:
bonds (distance) C4'-P energy: -102.117
bonds (distance) P-C4' energy: -92.395
flat angles C4'-P-C4' energy: -72.109
flat angles P-C4'-P energy: -55.005
tors. eta vs tors. theta energy: -8.497
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: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -450.513564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.513564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.513564 (E_RNA)
where:
Base-Base interactions energy: -161.210
where: short stacking energy: -132.708
Base-Backbone interact. energy: 4.900
local terms energy: -294.203165
where:
bonds (distance) C4'-P energy: -78.649
bonds (distance) P-C4' energy: -96.900
flat angles C4'-P-C4' energy: -90.870
flat angles P-C4'-P energy: -38.439
tors. eta vs tors. theta energy: 10.655
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: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2054.629139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.629139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.629139 (E_RNA)
where:
Base-Base interactions energy: -1441.987
where: short stacking energy: -581.259
Base-Backbone interact. energy: -2.817
local terms energy: -609.825624
where:
bonds (distance) C4'-P energy: -122.195
bonds (distance) P-C4' energy: -117.405
flat angles C4'-P-C4' energy: -125.201
flat angles P-C4'-P energy: -78.336
tors. eta vs tors. theta energy: -166.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2018.064425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.064425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.064425 (E_RNA)
where:
Base-Base interactions energy: -1424.949
where: short stacking energy: -580.159
Base-Backbone interact. energy: 4.164
local terms energy: -597.279425
where:
bonds (distance) C4'-P energy: -100.374
bonds (distance) P-C4' energy: -105.869
flat angles C4'-P-C4' energy: -134.579
flat angles P-C4'-P energy: -87.243
tors. eta vs tors. theta energy: -169.214
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: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1931.870965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.870965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.870965 (E_RNA)
where:
Base-Base interactions energy: -1341.602
where: short stacking energy: -583.208
Base-Backbone interact. energy: -1.630
local terms energy: -588.639755
where:
bonds (distance) C4'-P energy: -102.279
bonds (distance) P-C4' energy: -112.561
flat angles C4'-P-C4' energy: -125.783
flat angles P-C4'-P energy: -82.730
tors. eta vs tors. theta energy: -165.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1832.729581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.729581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.729581 (E_RNA)
where:
Base-Base interactions energy: -1269.328
where: short stacking energy: -539.401
Base-Backbone interact. energy: -4.241
local terms energy: -559.160859
where:
bonds (distance) C4'-P energy: -95.520
bonds (distance) P-C4' energy: -115.055
flat angles C4'-P-C4' energy: -129.572
flat angles P-C4'-P energy: -79.106
tors. eta vs tors. theta energy: -139.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1737.023496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.023496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.023496 (E_RNA)
where:
Base-Base interactions energy: -1143.369
where: short stacking energy: -504.922
Base-Backbone interact. energy: 3.890
local terms energy: -597.545049
where:
bonds (distance) C4'-P energy: -110.437
bonds (distance) P-C4' energy: -113.663
flat angles C4'-P-C4' energy: -131.346
flat angles P-C4'-P energy: -88.730
tors. eta vs tors. theta energy: -153.369
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: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1528.905133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.905133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.905133 (E_RNA)
where:
Base-Base interactions energy: -1033.856
where: short stacking energy: -437.662
Base-Backbone interact. energy: 3.192
local terms energy: -498.241717
where:
bonds (distance) C4'-P energy: -105.679
bonds (distance) P-C4' energy: -95.448
flat angles C4'-P-C4' energy: -111.955
flat angles P-C4'-P energy: -63.524
tors. eta vs tors. theta energy: -121.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1330.176668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.176668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.176668 (E_RNA)
where:
Base-Base interactions energy: -869.478
where: short stacking energy: -382.746
Base-Backbone interact. energy: -2.939
local terms energy: -457.760505
where:
bonds (distance) C4'-P energy: -103.729
bonds (distance) P-C4' energy: -99.420
flat angles C4'-P-C4' energy: -112.345
flat angles P-C4'-P energy: -53.147
tors. eta vs tors. theta energy: -89.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1098.807496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.807496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.807496 (E_RNA)
where:
Base-Base interactions energy: -697.490
where: short stacking energy: -304.060
Base-Backbone interact. energy: -2.318
local terms energy: -398.999366
where:
bonds (distance) C4'-P energy: -77.835
bonds (distance) P-C4' energy: -91.891
flat angles C4'-P-C4' energy: -97.589
flat angles P-C4'-P energy: -57.331
tors. eta vs tors. theta energy: -74.353
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: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -609.783884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.783884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.783884 (E_RNA)
where:
Base-Base interactions energy: -284.068
where: short stacking energy: -156.102
Base-Backbone interact. energy: -1.156
local terms energy: -324.560630
where:
bonds (distance) C4'-P energy: -95.364
bonds (distance) P-C4' energy: -112.894
flat angles C4'-P-C4' energy: -75.637
flat angles P-C4'-P energy: -48.961
tors. eta vs tors. theta energy: 8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -451.918607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.918607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.918607 (E_RNA)
where:
Base-Base interactions energy: -124.894
where: short stacking energy: -116.657
Base-Backbone interact. energy: -0.598
local terms energy: -326.426561
where:
bonds (distance) C4'-P energy: -98.289
bonds (distance) P-C4' energy: -119.870
flat angles C4'-P-C4' energy: -83.210
flat angles P-C4'-P energy: -48.255
tors. eta vs tors. theta energy: 23.197
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: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2089.367705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.367705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.367705 (E_RNA)
where:
Base-Base interactions energy: -1446.782
where: short stacking energy: -578.397
Base-Backbone interact. energy: -1.211
local terms energy: -641.374961
where:
bonds (distance) C4'-P energy: -108.326
bonds (distance) P-C4' energy: -119.909
flat angles C4'-P-C4' energy: -140.869
flat angles P-C4'-P energy: -97.724
tors. eta vs tors. theta energy: -174.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2021.457409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.457409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.457409 (E_RNA)
where:
Base-Base interactions energy: -1389.303
where: short stacking energy: -572.382
Base-Backbone interact. energy: 0.866
local terms energy: -633.020628
where:
bonds (distance) C4'-P energy: -113.509
bonds (distance) P-C4' energy: -125.692
flat angles C4'-P-C4' energy: -127.672
flat angles P-C4'-P energy: -94.320
tors. eta vs tors. theta energy: -171.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1915.571536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.571536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.571536 (E_RNA)
where:
Base-Base interactions energy: -1317.590
where: short stacking energy: -548.974
Base-Backbone interact. energy: 0.191
local terms energy: -598.172593
where:
bonds (distance) C4'-P energy: -106.224
bonds (distance) P-C4' energy: -113.108
flat angles C4'-P-C4' energy: -128.274
flat angles P-C4'-P energy: -85.535
tors. eta vs tors. theta energy: -165.033
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: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1798.143005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.143005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.143005 (E_RNA)
where:
Base-Base interactions energy: -1261.305
where: short stacking energy: -502.776
Base-Backbone interact. energy: -2.758
local terms energy: -534.079116
where:
bonds (distance) C4'-P energy: -107.381
bonds (distance) P-C4' energy: -116.529
flat angles C4'-P-C4' energy: -105.819
flat angles P-C4'-P energy: -67.917
tors. eta vs tors. theta energy: -136.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1668.227837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.227837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.227837 (E_RNA)
where:
Base-Base interactions energy: -1122.814
where: short stacking energy: -475.174
Base-Backbone interact. energy: -1.409
local terms energy: -544.005397
where:
bonds (distance) C4'-P energy: -96.588
bonds (distance) P-C4' energy: -116.435
flat angles C4'-P-C4' energy: -103.599
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -142.653
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: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1473.786318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.786318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.786318 (E_RNA)
where:
Base-Base interactions energy: -979.235
where: short stacking energy: -434.757
Base-Backbone interact. energy: -2.807
local terms energy: -491.745010
where:
bonds (distance) C4'-P energy: -102.356
bonds (distance) P-C4' energy: -95.110
flat angles C4'-P-C4' energy: -117.360
flat angles P-C4'-P energy: -68.773
tors. eta vs tors. theta energy: -108.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1318.411737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.411737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.411737 (E_RNA)
where:
Base-Base interactions energy: -853.265
where: short stacking energy: -376.340
Base-Backbone interact. energy: -0.219
local terms energy: -464.928249
where:
bonds (distance) C4'-P energy: -108.797
bonds (distance) P-C4' energy: -110.919
flat angles C4'-P-C4' energy: -104.845
flat angles P-C4'-P energy: -53.458
tors. eta vs tors. theta energy: -86.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1020.404126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.404126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.404126 (E_RNA)
where:
Base-Base interactions energy: -635.631
where: short stacking energy: -308.968
Base-Backbone interact. energy: -2.552
local terms energy: -382.220700
where:
bonds (distance) C4'-P energy: -75.931
bonds (distance) P-C4' energy: -101.852
flat angles C4'-P-C4' energy: -85.304
flat angles P-C4'-P energy: -54.692
tors. eta vs tors. theta energy: -64.442
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: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -586.759186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.759186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.759186 (E_RNA)
where:
Base-Base interactions energy: -255.857
where: short stacking energy: -155.987
Base-Backbone interact. energy: 5.126
local terms energy: -336.028573
where:
bonds (distance) C4'-P energy: -100.890
bonds (distance) P-C4' energy: -113.724
flat angles C4'-P-C4' energy: -82.683
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: 12.529
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: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -445.358131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.358131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.358131 (E_RNA)
where:
Base-Base interactions energy: -145.193
where: short stacking energy: -122.560
Base-Backbone interact. energy: 6.103
local terms energy: -306.268173
where:
bonds (distance) C4'-P energy: -87.192
bonds (distance) P-C4' energy: -113.010
flat angles C4'-P-C4' energy: -84.900
flat angles P-C4'-P energy: -47.994
tors. eta vs tors. theta energy: 26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2065.877762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.877762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.877762 (E_RNA)
where:
Base-Base interactions energy: -1429.701
where: short stacking energy: -553.615
Base-Backbone interact. energy: -4.272
local terms energy: -631.904178
where:
bonds (distance) C4'-P energy: -124.699
bonds (distance) P-C4' energy: -120.793
flat angles C4'-P-C4' energy: -134.497
flat angles P-C4'-P energy: -87.521
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: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2029.333207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.333207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.333207 (E_RNA)
where:
Base-Base interactions energy: -1399.849
where: short stacking energy: -575.586
Base-Backbone interact. energy: -3.104
local terms energy: -626.381056
where:
bonds (distance) C4'-P energy: -114.994
bonds (distance) P-C4' energy: -119.500
flat angles C4'-P-C4' energy: -131.476
flat angles P-C4'-P energy: -86.710
tors. eta vs tors. theta energy: -173.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1935.546339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.546339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.546339 (E_RNA)
where:
Base-Base interactions energy: -1351.451
where: short stacking energy: -576.334
Base-Backbone interact. energy: 0.011
local terms energy: -584.105840
where:
bonds (distance) C4'-P energy: -110.155
bonds (distance) P-C4' energy: -100.210
flat angles C4'-P-C4' energy: -127.643
flat angles P-C4'-P energy: -75.209
tors. eta vs tors. theta energy: -170.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1812.337295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.337295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.337295 (E_RNA)
where:
Base-Base interactions energy: -1262.380
where: short stacking energy: -521.439
Base-Backbone interact. energy: 2.321
local terms energy: -552.278677
where:
bonds (distance) C4'-P energy: -100.709
bonds (distance) P-C4' energy: -116.291
flat angles C4'-P-C4' energy: -111.586
flat angles P-C4'-P energy: -70.892
tors. eta vs tors. theta energy: -152.801
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: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1696.263383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.263383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.263383 (E_RNA)
where:
Base-Base interactions energy: -1160.186
where: short stacking energy: -503.143
Base-Backbone interact. energy: -0.624
local terms energy: -535.453523
where:
bonds (distance) C4'-P energy: -97.831
bonds (distance) P-C4' energy: -96.016
flat angles C4'-P-C4' energy: -119.076
flat angles P-C4'-P energy: -74.542
tors. eta vs tors. theta energy: -147.989
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: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1528.640907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.640907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.640907 (E_RNA)
where:
Base-Base interactions energy: -1023.474
where: short stacking energy: -440.008
Base-Backbone interact. energy: -1.013
local terms energy: -504.153823
where:
bonds (distance) C4'-P energy: -109.056
bonds (distance) P-C4' energy: -113.855
flat angles C4'-P-C4' energy: -105.590
flat angles P-C4'-P energy: -58.007
tors. eta vs tors. theta energy: -117.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1431.661381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.661381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.661381 (E_RNA)
where:
Base-Base interactions energy: -892.983
where: short stacking energy: -436.710
Base-Backbone interact. energy: 1.003
local terms energy: -539.680692
where:
bonds (distance) C4'-P energy: -112.097
bonds (distance) P-C4' energy: -95.590
flat angles C4'-P-C4' energy: -128.008
flat angles P-C4'-P energy: -70.083
tors. eta vs tors. theta energy: -133.902
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: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1063.592852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.592852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.592852 (E_RNA)
where:
Base-Base interactions energy: -643.007
where: short stacking energy: -295.149
Base-Backbone interact. energy: 1.720
local terms energy: -422.305530
where:
bonds (distance) C4'-P energy: -107.091
bonds (distance) P-C4' energy: -108.190
flat angles C4'-P-C4' energy: -105.915
flat angles P-C4'-P energy: -56.354
tors. eta vs tors. theta energy: -44.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -665.865811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.865811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.865811 (E_RNA)
where:
Base-Base interactions energy: -324.169
where: short stacking energy: -199.767
Base-Backbone interact. energy: 1.578
local terms energy: -343.274889
where:
bonds (distance) C4'-P energy: -99.661
bonds (distance) P-C4' energy: -97.683
flat angles C4'-P-C4' energy: -91.324
flat angles P-C4'-P energy: -55.525
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -475.840037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.840037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.840037 (E_RNA)
where:
Base-Base interactions energy: -166.159
where: short stacking energy: -113.923
Base-Backbone interact. energy: 2.963
local terms energy: -312.643263
where:
bonds (distance) C4'-P energy: -77.346
bonds (distance) P-C4' energy: -91.498
flat angles C4'-P-C4' energy: -101.889
flat angles P-C4'-P energy: -66.820
tors. eta vs tors. theta energy: 24.910
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: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2087.944658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.944658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.944658 (E_RNA)
where:
Base-Base interactions energy: -1490.713
where: short stacking energy: -556.556
Base-Backbone interact. energy: -1.054
local terms energy: -596.177811
where:
bonds (distance) C4'-P energy: -106.686
bonds (distance) P-C4' energy: -104.237
flat angles C4'-P-C4' energy: -125.499
flat angles P-C4'-P energy: -89.845
tors. eta vs tors. theta energy: -169.910
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: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2002.792156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.792156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.792156 (E_RNA)
where:
Base-Base interactions energy: -1391.830
where: short stacking energy: -558.712
Base-Backbone interact. energy: -2.442
local terms energy: -608.519905
where:
bonds (distance) C4'-P energy: -103.764
bonds (distance) P-C4' energy: -106.896
flat angles C4'-P-C4' energy: -133.291
flat angles P-C4'-P energy: -91.894
tors. eta vs tors. theta energy: -172.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1930.208306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.208306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.208306 (E_RNA)
where:
Base-Base interactions energy: -1320.593
where: short stacking energy: -578.481
Base-Backbone interact. energy: -2.881
local terms energy: -606.734964
where:
bonds (distance) C4'-P energy: -90.403
bonds (distance) P-C4' energy: -114.321
flat angles C4'-P-C4' energy: -131.920
flat angles P-C4'-P energy: -96.979
tors. eta vs tors. theta energy: -173.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1801.964736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.964736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.964736 (E_RNA)
where:
Base-Base interactions energy: -1257.179
where: short stacking energy: -499.243
Base-Backbone interact. energy: -0.375
local terms energy: -544.411496
where:
bonds (distance) C4'-P energy: -105.485
bonds (distance) P-C4' energy: -100.540
flat angles C4'-P-C4' energy: -131.684
flat angles P-C4'-P energy: -70.479
tors. eta vs tors. theta energy: -136.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1660.583526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.583526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.583526 (E_RNA)
where:
Base-Base interactions energy: -1147.138
where: short stacking energy: -493.128
Base-Backbone interact. energy: 0.242
local terms energy: -513.687264
where:
bonds (distance) C4'-P energy: -94.570
bonds (distance) P-C4' energy: -104.445
flat angles C4'-P-C4' energy: -111.085
flat angles P-C4'-P energy: -56.674
tors. eta vs tors. theta energy: -146.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1522.712424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.712424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.712424 (E_RNA)
where:
Base-Base interactions energy: -1010.854
where: short stacking energy: -439.533
Base-Backbone interact. energy: 2.388
local terms energy: -514.246922
where:
bonds (distance) C4'-P energy: -97.417
bonds (distance) P-C4' energy: -99.420
flat angles C4'-P-C4' energy: -118.736
flat angles P-C4'-P energy: -68.410
tors. eta vs tors. theta energy: -130.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1344.970988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.970988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.970988 (E_RNA)
where:
Base-Base interactions energy: -849.919
where: short stacking energy: -385.937
Base-Backbone interact. energy: -2.095
local terms energy: -492.956588
where:
bonds (distance) C4'-P energy: -100.975
bonds (distance) P-C4' energy: -101.363
flat angles C4'-P-C4' energy: -111.514
flat angles P-C4'-P energy: -74.255
tors. eta vs tors. theta energy: -104.849
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: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1016.749783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.749783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.749783 (E_RNA)
where:
Base-Base interactions energy: -608.396
where: short stacking energy: -333.226
Base-Backbone interact. energy: -0.320
local terms energy: -408.033760
where:
bonds (distance) C4'-P energy: -86.837
bonds (distance) P-C4' energy: -105.010
flat angles C4'-P-C4' energy: -90.670
flat angles P-C4'-P energy: -57.438
tors. eta vs tors. theta energy: -68.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -491.958028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.958028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.958028 (E_RNA)
where:
Base-Base interactions energy: -190.720
where: short stacking energy: -158.382
Base-Backbone interact. energy: 0.247
local terms energy: -301.484992
where:
bonds (distance) C4'-P energy: -87.898
bonds (distance) P-C4' energy: -90.010
flat angles C4'-P-C4' energy: -74.515
flat angles P-C4'-P energy: -61.723
tors. eta vs tors. theta energy: 12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -528.536261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.536261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.536261 (E_RNA)
where:
Base-Base interactions energy: -253.715
where: short stacking energy: -154.574
Base-Backbone interact. energy: -0.736
local terms energy: -274.085216
where:
bonds (distance) C4'-P energy: -94.271
bonds (distance) P-C4' energy: -86.863
flat angles C4'-P-C4' energy: -71.720
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: 21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2091.123861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.123861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.123861 (E_RNA)
where:
Base-Base interactions energy: -1457.825
where: short stacking energy: -603.322
Base-Backbone interact. energy: -3.443
local terms energy: -629.856424
where:
bonds (distance) C4'-P energy: -103.380
bonds (distance) P-C4' energy: -126.298
flat angles C4'-P-C4' energy: -133.493
flat angles P-C4'-P energy: -87.823
tors. eta vs tors. theta energy: -178.863
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: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2029.214942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.214942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.214942 (E_RNA)
where:
Base-Base interactions energy: -1416.378
where: short stacking energy: -577.232
Base-Backbone interact. energy: -3.563
local terms energy: -609.274618
where:
bonds (distance) C4'-P energy: -110.077
bonds (distance) P-C4' energy: -123.462
flat angles C4'-P-C4' energy: -128.385
flat angles P-C4'-P energy: -68.910
tors. eta vs tors. theta energy: -178.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1903.931084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.931084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.931084 (E_RNA)
where:
Base-Base interactions energy: -1304.404
where: short stacking energy: -562.585
Base-Backbone interact. energy: -0.887
local terms energy: -598.640739
where:
bonds (distance) C4'-P energy: -115.443
bonds (distance) P-C4' energy: -100.259
flat angles C4'-P-C4' energy: -126.766
flat angles P-C4'-P energy: -82.922
tors. eta vs tors. theta energy: -173.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1773.211618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.211618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.211618 (E_RNA)
where:
Base-Base interactions energy: -1209.784
where: short stacking energy: -492.298
Base-Backbone interact. energy: -0.812
local terms energy: -562.615236
where:
bonds (distance) C4'-P energy: -110.559
bonds (distance) P-C4' energy: -113.689
flat angles C4'-P-C4' energy: -121.910
flat angles P-C4'-P energy: -76.691
tors. eta vs tors. theta energy: -139.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1649.792355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.792355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.792355 (E_RNA)
where:
Base-Base interactions energy: -1075.244
where: short stacking energy: -479.839
Base-Backbone interact. energy: -1.771
local terms energy: -572.777323
where:
bonds (distance) C4'-P energy: -105.847
bonds (distance) P-C4' energy: -112.219
flat angles C4'-P-C4' energy: -129.111
flat angles P-C4'-P energy: -92.065
tors. eta vs tors. theta energy: -133.535
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: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1531.935141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.935141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.935141 (E_RNA)
where:
Base-Base interactions energy: -1032.731
where: short stacking energy: -458.796
Base-Backbone interact. energy: -0.709
local terms energy: -498.495003
where:
bonds (distance) C4'-P energy: -99.557
bonds (distance) P-C4' energy: -96.872
flat angles C4'-P-C4' energy: -107.636
flat angles P-C4'-P energy: -64.376
tors. eta vs tors. theta energy: -130.054
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: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1347.934761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.934761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.934761 (E_RNA)
where:
Base-Base interactions energy: -888.214
where: short stacking energy: -363.473
Base-Backbone interact. energy: 1.274
local terms energy: -460.994923
where:
bonds (distance) C4'-P energy: -83.485
bonds (distance) P-C4' energy: -108.317
flat angles C4'-P-C4' energy: -113.261
flat angles P-C4'-P energy: -62.420
tors. eta vs tors. theta energy: -93.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -995.002258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.002258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.002258 (E_RNA)
where:
Base-Base interactions energy: -621.452
where: short stacking energy: -286.065
Base-Backbone interact. energy: -1.671
local terms energy: -371.879552
where:
bonds (distance) C4'-P energy: -84.270
bonds (distance) P-C4' energy: -91.515
flat angles C4'-P-C4' energy: -92.243
flat angles P-C4'-P energy: -59.340
tors. eta vs tors. theta energy: -44.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -493.293840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.293840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.293840 (E_RNA)
where:
Base-Base interactions energy: -164.005
where: short stacking energy: -134.918
Base-Backbone interact. energy: 0.883
local terms energy: -330.171560
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -108.168
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -55.705
tors. eta vs tors. theta energy: 23.066
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: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -432.933357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.933357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.933357 (E_RNA)
where:
Base-Base interactions energy: -175.525
where: short stacking energy: -122.772
Base-Backbone interact. energy: -1.420
local terms energy: -255.987900
where:
bonds (distance) C4'-P energy: -87.126
bonds (distance) P-C4' energy: -73.657
flat angles C4'-P-C4' energy: -92.054
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: 32.554
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: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2087.156846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.156846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.156846 (E_RNA)
where:
Base-Base interactions energy: -1460.173
where: short stacking energy: -582.773
Base-Backbone interact. energy: -1.164
local terms energy: -625.819923
where:
bonds (distance) C4'-P energy: -109.937
bonds (distance) P-C4' energy: -123.017
flat angles C4'-P-C4' energy: -133.041
flat angles P-C4'-P energy: -88.675
tors. eta vs tors. theta energy: -171.149
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: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2030.562909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.562909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.562909 (E_RNA)
where:
Base-Base interactions energy: -1389.590
where: short stacking energy: -584.990
Base-Backbone interact. energy: -2.273
local terms energy: -638.699856
where:
bonds (distance) C4'-P energy: -110.822
bonds (distance) P-C4' energy: -122.079
flat angles C4'-P-C4' energy: -134.466
flat angles P-C4'-P energy: -83.488
tors. eta vs tors. theta energy: -187.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1945.456081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.456081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.456081 (E_RNA)
where:
Base-Base interactions energy: -1316.093
where: short stacking energy: -549.342
Base-Backbone interact. energy: -0.029
local terms energy: -629.333665
where:
bonds (distance) C4'-P energy: -131.881
bonds (distance) P-C4' energy: -117.543
flat angles C4'-P-C4' energy: -127.701
flat angles P-C4'-P energy: -81.416
tors. eta vs tors. theta energy: -170.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1798.903717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.903717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.903717 (E_RNA)
where:
Base-Base interactions energy: -1240.526
where: short stacking energy: -517.638
Base-Backbone interact. energy: 0.465
local terms energy: -558.842773
where:
bonds (distance) C4'-P energy: -97.336
bonds (distance) P-C4' energy: -112.774
flat angles C4'-P-C4' energy: -119.674
flat angles P-C4'-P energy: -81.668
tors. eta vs tors. theta energy: -147.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1667.695769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.695769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.695769 (E_RNA)
where:
Base-Base interactions energy: -1090.300
where: short stacking energy: -491.887
Base-Backbone interact. energy: -0.511
local terms energy: -576.884810
where:
bonds (distance) C4'-P energy: -110.157
bonds (distance) P-C4' energy: -101.397
flat angles C4'-P-C4' energy: -122.058
flat angles P-C4'-P energy: -86.108
tors. eta vs tors. theta energy: -157.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1536.627143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.627143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.627143 (E_RNA)
where:
Base-Base interactions energy: -1015.476
where: short stacking energy: -435.991
Base-Backbone interact. energy: -0.752
local terms energy: -520.398712
where:
bonds (distance) C4'-P energy: -108.139
bonds (distance) P-C4' energy: -96.524
flat angles C4'-P-C4' energy: -119.439
flat angles P-C4'-P energy: -79.135
tors. eta vs tors. theta energy: -117.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1327.789635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.789635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.789635 (E_RNA)
where:
Base-Base interactions energy: -871.412
where: short stacking energy: -379.260
Base-Backbone interact. energy: -2.667
local terms energy: -453.710139
where:
bonds (distance) C4'-P energy: -99.722
bonds (distance) P-C4' energy: -92.057
flat angles C4'-P-C4' energy: -109.409
flat angles P-C4'-P energy: -66.759
tors. eta vs tors. theta energy: -85.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1023.544151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.544151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.544151 (E_RNA)
where:
Base-Base interactions energy: -610.663
where: short stacking energy: -283.793
Base-Backbone interact. energy: -2.206
local terms energy: -410.675759
where:
bonds (distance) C4'-P energy: -94.282
bonds (distance) P-C4' energy: -92.371
flat angles C4'-P-C4' energy: -104.092
flat angles P-C4'-P energy: -71.757
tors. eta vs tors. theta energy: -48.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -548.899731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.899731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.899731 (E_RNA)
where:
Base-Base interactions energy: -246.171
where: short stacking energy: -151.099
Base-Backbone interact. energy: 0.362
local terms energy: -303.091566
where:
bonds (distance) C4'-P energy: -90.727
bonds (distance) P-C4' energy: -88.038
flat angles C4'-P-C4' energy: -87.455
flat angles P-C4'-P energy: -48.510
tors. eta vs tors. theta energy: 11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -453.882553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.882553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.882553 (E_RNA)
where:
Base-Base interactions energy: -150.274
where: short stacking energy: -121.051
Base-Backbone interact. energy: 2.746
local terms energy: -306.354116
where:
bonds (distance) C4'-P energy: -74.128
bonds (distance) P-C4' energy: -93.002
flat angles C4'-P-C4' energy: -97.872
flat angles P-C4'-P energy: -50.517
tors. eta vs tors. theta energy: 9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2093.113967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.113967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.113967 (E_RNA)
where:
Base-Base interactions energy: -1437.758
where: short stacking energy: -595.624
Base-Backbone interact. energy: -3.165
local terms energy: -652.191243
where:
bonds (distance) C4'-P energy: -125.999
bonds (distance) P-C4' energy: -123.382
flat angles C4'-P-C4' energy: -133.371
flat angles P-C4'-P energy: -98.929
tors. eta vs tors. theta energy: -170.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2026.761496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.761496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.761496 (E_RNA)
where:
Base-Base interactions energy: -1402.538
where: short stacking energy: -582.813
Base-Backbone interact. energy: -2.343
local terms energy: -621.880161
where:
bonds (distance) C4'-P energy: -111.262
bonds (distance) P-C4' energy: -116.623
flat angles C4'-P-C4' energy: -138.038
flat angles P-C4'-P energy: -76.602
tors. eta vs tors. theta energy: -179.355
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: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1941.495762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.495762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.495762 (E_RNA)
where:
Base-Base interactions energy: -1323.556
where: short stacking energy: -557.644
Base-Backbone interact. energy: -2.344
local terms energy: -615.595527
where:
bonds (distance) C4'-P energy: -120.146
bonds (distance) P-C4' energy: -114.295
flat angles C4'-P-C4' energy: -128.693
flat angles P-C4'-P energy: -78.896
tors. eta vs tors. theta energy: -173.564
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: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1743.995792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.995792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.995792 (E_RNA)
where:
Base-Base interactions energy: -1179.559
where: short stacking energy: -507.768
Base-Backbone interact. energy: -2.612
local terms energy: -561.825092
where:
bonds (distance) C4'-P energy: -117.181
bonds (distance) P-C4' energy: -102.213
flat angles C4'-P-C4' energy: -115.648
flat angles P-C4'-P energy: -84.760
tors. eta vs tors. theta energy: -142.023
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: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1637.685794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.685794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.685794 (E_RNA)
where:
Base-Base interactions energy: -1110.894
where: short stacking energy: -488.073
Base-Backbone interact. energy: -2.233
local terms energy: -524.558721
where:
bonds (distance) C4'-P energy: -111.042
bonds (distance) P-C4' energy: -90.645
flat angles C4'-P-C4' energy: -106.215
flat angles P-C4'-P energy: -77.593
tors. eta vs tors. theta energy: -139.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1519.653607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.653607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.653607 (E_RNA)
where:
Base-Base interactions energy: -1034.644
where: short stacking energy: -472.935
Base-Backbone interact. energy: 1.613
local terms energy: -486.622326
where:
bonds (distance) C4'-P energy: -89.951
bonds (distance) P-C4' energy: -89.073
flat angles C4'-P-C4' energy: -114.747
flat angles P-C4'-P energy: -66.252
tors. eta vs tors. theta energy: -126.600
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: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1338.761829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.761829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.761829 (E_RNA)
where:
Base-Base interactions energy: -857.707
where: short stacking energy: -356.777
Base-Backbone interact. energy: -0.854
local terms energy: -480.201192
where:
bonds (distance) C4'-P energy: -105.013
bonds (distance) P-C4' energy: -105.644
flat angles C4'-P-C4' energy: -99.630
flat angles P-C4'-P energy: -71.878
tors. eta vs tors. theta energy: -98.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1033.023643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.023643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.023643 (E_RNA)
where:
Base-Base interactions energy: -631.287
where: short stacking energy: -290.101
Base-Backbone interact. energy: 3.832
local terms energy: -405.568438
where:
bonds (distance) C4'-P energy: -109.504
bonds (distance) P-C4' energy: -83.587
flat angles C4'-P-C4' energy: -98.910
flat angles P-C4'-P energy: -54.338
tors. eta vs tors. theta energy: -59.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -548.881083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.881083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.881083 (E_RNA)
where:
Base-Base interactions energy: -233.611
where: short stacking energy: -173.104
Base-Backbone interact. energy: -0.639
local terms energy: -314.630720
where:
bonds (distance) C4'-P energy: -86.575
bonds (distance) P-C4' energy: -90.408
flat angles C4'-P-C4' energy: -96.631
flat angles P-C4'-P energy: -50.063
tors. eta vs tors. theta energy: 9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -496.893922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.893922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.893922 (E_RNA)
where:
Base-Base interactions energy: -198.599
where: short stacking energy: -124.237
Base-Backbone interact. energy: 5.433
local terms energy: -303.727187
where:
bonds (distance) C4'-P energy: -92.232
bonds (distance) P-C4' energy: -110.351
flat angles C4'-P-C4' energy: -78.854
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: 13.202
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: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2111.564512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.564512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.564512 (E_RNA)
where:
Base-Base interactions energy: -1479.750
where: short stacking energy: -589.793
Base-Backbone interact. energy: -2.226
local terms energy: -629.589015
where:
bonds (distance) C4'-P energy: -106.925
bonds (distance) P-C4' energy: -123.425
flat angles C4'-P-C4' energy: -132.510
flat angles P-C4'-P energy: -89.226
tors. eta vs tors. theta energy: -177.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2025.289031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.289031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.289031 (E_RNA)
where:
Base-Base interactions energy: -1410.643
where: short stacking energy: -582.552
Base-Backbone interact. energy: -2.358
local terms energy: -612.288098
where:
bonds (distance) C4'-P energy: -119.351
bonds (distance) P-C4' energy: -123.434
flat angles C4'-P-C4' energy: -122.907
flat angles P-C4'-P energy: -76.529
tors. eta vs tors. theta energy: -170.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1964.633395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.633395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.633395 (E_RNA)
where:
Base-Base interactions energy: -1370.714
where: short stacking energy: -582.094
Base-Backbone interact. energy: -4.265
local terms energy: -589.654221
where:
bonds (distance) C4'-P energy: -99.673
bonds (distance) P-C4' energy: -97.720
flat angles C4'-P-C4' energy: -130.155
flat angles P-C4'-P energy: -88.737
tors. eta vs tors. theta energy: -173.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1766.462420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.462420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.462420 (E_RNA)
where:
Base-Base interactions energy: -1220.714
where: short stacking energy: -519.142
Base-Backbone interact. energy: 2.180
local terms energy: -547.928241
where:
bonds (distance) C4'-P energy: -101.685
bonds (distance) P-C4' energy: -94.926
flat angles C4'-P-C4' energy: -122.952
flat angles P-C4'-P energy: -74.771
tors. eta vs tors. theta energy: -153.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1691.769333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.769333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.769333 (E_RNA)
where:
Base-Base interactions energy: -1140.511
where: short stacking energy: -521.915
Base-Backbone interact. energy: -0.719
local terms energy: -550.538797
where:
bonds (distance) C4'-P energy: -107.774
bonds (distance) P-C4' energy: -97.125
flat angles C4'-P-C4' energy: -118.166
flat angles P-C4'-P energy: -79.234
tors. eta vs tors. theta energy: -148.240
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: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1511.738003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.738003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.738003 (E_RNA)
where:
Base-Base interactions energy: -1014.850
where: short stacking energy: -442.389
Base-Backbone interact. energy: -0.876
local terms energy: -496.012196
where:
bonds (distance) C4'-P energy: -94.711
bonds (distance) P-C4' energy: -98.651
flat angles C4'-P-C4' energy: -107.059
flat angles P-C4'-P energy: -75.453
tors. eta vs tors. theta energy: -120.139
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: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1273.205169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.205169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.205169 (E_RNA)
where:
Base-Base interactions energy: -849.809
where: short stacking energy: -368.605
Base-Backbone interact. energy: 2.610
local terms energy: -426.005948
where:
bonds (distance) C4'-P energy: -100.921
bonds (distance) P-C4' energy: -91.072
flat angles C4'-P-C4' energy: -112.574
flat angles P-C4'-P energy: -35.886
tors. eta vs tors. theta energy: -85.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -974.725886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.725886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.725886 (E_RNA)
where:
Base-Base interactions energy: -585.448
where: short stacking energy: -288.056
Base-Backbone interact. energy: -0.959
local terms energy: -388.318017
where:
bonds (distance) C4'-P energy: -85.101
bonds (distance) P-C4' energy: -107.106
flat angles C4'-P-C4' energy: -99.315
flat angles P-C4'-P energy: -41.667
tors. eta vs tors. theta energy: -55.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -520.288116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.288116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.288116 (E_RNA)
where:
Base-Base interactions energy: -196.730
where: short stacking energy: -129.382
Base-Backbone interact. energy: -0.375
local terms energy: -323.182855
where:
bonds (distance) C4'-P energy: -102.369
bonds (distance) P-C4' energy: -98.685
flat angles C4'-P-C4' energy: -90.027
flat angles P-C4'-P energy: -43.824
tors. eta vs tors. theta energy: 11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -453.059249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.059249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.059249 (E_RNA)
where:
Base-Base interactions energy: -161.218
where: short stacking energy: -132.591
Base-Backbone interact. energy: -2.243
local terms energy: -289.598817
where:
bonds (distance) C4'-P energy: -88.941
bonds (distance) P-C4' energy: -106.495
flat angles C4'-P-C4' energy: -82.308
flat angles P-C4'-P energy: -34.667
tors. eta vs tors. theta energy: 22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2113.838856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.838856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.838856 (E_RNA)
where:
Base-Base interactions energy: -1480.851
where: short stacking energy: -588.882
Base-Backbone interact. energy: -2.617
local terms energy: -630.370682
where:
bonds (distance) C4'-P energy: -104.017
bonds (distance) P-C4' energy: -120.482
flat angles C4'-P-C4' energy: -136.024
flat angles P-C4'-P energy: -95.880
tors. eta vs tors. theta energy: -173.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2052.188890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.188890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.188890 (E_RNA)
where:
Base-Base interactions energy: -1408.388
where: short stacking energy: -600.322
Base-Backbone interact. energy: -1.896
local terms energy: -641.904372
where:
bonds (distance) C4'-P energy: -109.787
bonds (distance) P-C4' energy: -126.021
flat angles C4'-P-C4' energy: -146.738
flat angles P-C4'-P energy: -74.870
tors. eta vs tors. theta energy: -184.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1962.556716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.556716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.556716 (E_RNA)
where:
Base-Base interactions energy: -1349.950
where: short stacking energy: -548.570
Base-Backbone interact. energy: 0.004
local terms energy: -612.610545
where:
bonds (distance) C4'-P energy: -116.508
bonds (distance) P-C4' energy: -125.647
flat angles C4'-P-C4' energy: -120.634
flat angles P-C4'-P energy: -78.189
tors. eta vs tors. theta energy: -171.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1751.707391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.707391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.707391 (E_RNA)
where:
Base-Base interactions energy: -1202.357
where: short stacking energy: -488.259
Base-Backbone interact. energy: -3.052
local terms energy: -546.298881
where:
bonds (distance) C4'-P energy: -104.375
bonds (distance) P-C4' energy: -107.295
flat angles C4'-P-C4' energy: -126.119
flat angles P-C4'-P energy: -73.040
tors. eta vs tors. theta energy: -135.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1662.532024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.532024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.532024 (E_RNA)
where:
Base-Base interactions energy: -1133.940
where: short stacking energy: -501.420
Base-Backbone interact. energy: 2.905
local terms energy: -531.496456
where:
bonds (distance) C4'-P energy: -110.038
bonds (distance) P-C4' energy: -98.035
flat angles C4'-P-C4' energy: -118.191
flat angles P-C4'-P energy: -57.504
tors. eta vs tors. theta energy: -147.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1537.917911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.917911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.917911 (E_RNA)
where:
Base-Base interactions energy: -1018.852
where: short stacking energy: -437.024
Base-Backbone interact. energy: -2.233
local terms energy: -516.832401
where:
bonds (distance) C4'-P energy: -107.003
bonds (distance) P-C4' energy: -96.588
flat angles C4'-P-C4' energy: -121.671
flat angles P-C4'-P energy: -67.030
tors. eta vs tors. theta energy: -124.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1311.419255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.419255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.419255 (E_RNA)
where:
Base-Base interactions energy: -874.249
where: short stacking energy: -334.148
Base-Backbone interact. energy: -1.842
local terms energy: -435.327847
where:
bonds (distance) C4'-P energy: -99.022
bonds (distance) P-C4' energy: -118.698
flat angles C4'-P-C4' energy: -91.651
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -73.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1008.498340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.498340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.498340 (E_RNA)
where:
Base-Base interactions energy: -627.436
where: short stacking energy: -289.034
Base-Backbone interact. energy: 6.273
local terms energy: -387.334640
where:
bonds (distance) C4'-P energy: -94.895
bonds (distance) P-C4' energy: -89.430
flat angles C4'-P-C4' energy: -101.240
flat angles P-C4'-P energy: -57.546
tors. eta vs tors. theta energy: -44.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -502.504866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.504866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.504866 (E_RNA)
where:
Base-Base interactions energy: -195.326
where: short stacking energy: -146.504
Base-Backbone interact. energy: -1.060
local terms energy: -306.118344
where:
bonds (distance) C4'-P energy: -79.184
bonds (distance) P-C4' energy: -103.339
flat angles C4'-P-C4' energy: -91.633
flat angles P-C4'-P energy: -35.720
tors. eta vs tors. theta energy: 3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -469.920142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.920142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.920142 (E_RNA)
where:
Base-Base interactions energy: -150.299
where: short stacking energy: -116.259
Base-Backbone interact. energy: 5.525
local terms energy: -325.146380
where:
bonds (distance) C4'-P energy: -99.254
bonds (distance) P-C4' energy: -97.972
flat angles C4'-P-C4' energy: -84.378
flat angles P-C4'-P energy: -56.606
tors. eta vs tors. theta energy: 13.063
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: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2082.147536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.147536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.147536 (E_RNA)
where:
Base-Base interactions energy: -1458.279
where: short stacking energy: -596.423
Base-Backbone interact. energy: -2.509
local terms energy: -621.359206
where:
bonds (distance) C4'-P energy: -110.217
bonds (distance) P-C4' energy: -113.497
flat angles C4'-P-C4' energy: -137.055
flat angles P-C4'-P energy: -86.230
tors. eta vs tors. theta energy: -174.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2037.899054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.899054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.899054 (E_RNA)
where:
Base-Base interactions energy: -1405.553
where: short stacking energy: -580.325
Base-Backbone interact. energy: -3.271
local terms energy: -629.075192
where:
bonds (distance) C4'-P energy: -120.211
bonds (distance) P-C4' energy: -112.040
flat angles C4'-P-C4' energy: -121.842
flat angles P-C4'-P energy: -92.492
tors. eta vs tors. theta energy: -182.490
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: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1925.770771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.770771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.770771 (E_RNA)
where:
Base-Base interactions energy: -1311.901
where: short stacking energy: -542.801
Base-Backbone interact. energy: -0.785
local terms energy: -613.084889
where:
bonds (distance) C4'-P energy: -122.944
bonds (distance) P-C4' energy: -116.855
flat angles C4'-P-C4' energy: -124.418
flat angles P-C4'-P energy: -89.678
tors. eta vs tors. theta energy: -159.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1772.825089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.825089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.825089 (E_RNA)
where:
Base-Base interactions energy: -1232.788
where: short stacking energy: -506.723
Base-Backbone interact. energy: -3.496
local terms energy: -536.540884
where:
bonds (distance) C4'-P energy: -102.187
bonds (distance) P-C4' energy: -107.035
flat angles C4'-P-C4' energy: -109.958
flat angles P-C4'-P energy: -74.125
tors. eta vs tors. theta energy: -143.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1670.070308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.070308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.070308 (E_RNA)
where:
Base-Base interactions energy: -1107.605
where: short stacking energy: -483.917
Base-Backbone interact. energy: -2.260
local terms energy: -560.204914
where:
bonds (distance) C4'-P energy: -119.351
bonds (distance) P-C4' energy: -120.022
flat angles C4'-P-C4' energy: -107.288
flat angles P-C4'-P energy: -78.558
tors. eta vs tors. theta energy: -134.987
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: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1481.560602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.560602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.560602 (E_RNA)
where:
Base-Base interactions energy: -960.595
where: short stacking energy: -417.689
Base-Backbone interact. energy: -2.011
local terms energy: -518.954833
where:
bonds (distance) C4'-P energy: -102.657
bonds (distance) P-C4' energy: -109.550
flat angles C4'-P-C4' energy: -119.048
flat angles P-C4'-P energy: -72.844
tors. eta vs tors. theta energy: -114.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1263.689546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.689546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.689546 (E_RNA)
where:
Base-Base interactions energy: -855.422
where: short stacking energy: -340.615
Base-Backbone interact. energy: 4.232
local terms energy: -412.499101
where:
bonds (distance) C4'-P energy: -75.868
bonds (distance) P-C4' energy: -91.809
flat angles C4'-P-C4' energy: -109.870
flat angles P-C4'-P energy: -51.628
tors. eta vs tors. theta energy: -83.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1031.679619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.679619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.679619 (E_RNA)
where:
Base-Base interactions energy: -628.010
where: short stacking energy: -295.166
Base-Backbone interact. energy: 0.823
local terms energy: -404.492461
where:
bonds (distance) C4'-P energy: -107.601
bonds (distance) P-C4' energy: -108.010
flat angles C4'-P-C4' energy: -96.813
flat angles P-C4'-P energy: -42.216
tors. eta vs tors. theta energy: -49.853
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: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -587.008404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.008404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.008404 (E_RNA)
where:
Base-Base interactions energy: -282.504
where: short stacking energy: -181.378
Base-Backbone interact. energy: 6.640
local terms energy: -311.144147
where:
bonds (distance) C4'-P energy: -81.356
bonds (distance) P-C4' energy: -104.874
flat angles C4'-P-C4' energy: -82.864
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: 1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -461.762009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.762009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.762009 (E_RNA)
where:
Base-Base interactions energy: -167.607
where: short stacking energy: -125.397
Base-Backbone interact. energy: -1.243
local terms energy: -292.912149
where:
bonds (distance) C4'-P energy: -95.444
bonds (distance) P-C4' energy: -91.747
flat angles C4'-P-C4' energy: -56.296
flat angles P-C4'-P energy: -57.819
tors. eta vs tors. theta energy: 8.395
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: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2104.067697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.067697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.067697 (E_RNA)
where:
Base-Base interactions energy: -1443.867
where: short stacking energy: -591.299
Base-Backbone interact. energy: -1.120
local terms energy: -659.080682
where:
bonds (distance) C4'-P energy: -115.138
bonds (distance) P-C4' energy: -119.858
flat angles C4'-P-C4' energy: -136.296
flat angles P-C4'-P energy: -103.555
tors. eta vs tors. theta energy: -184.234
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: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2022.307600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.307600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.307600 (E_RNA)
where:
Base-Base interactions energy: -1387.103
where: short stacking energy: -563.100
Base-Backbone interact. energy: -4.290
local terms energy: -630.914596
where:
bonds (distance) C4'-P energy: -129.870
bonds (distance) P-C4' energy: -113.053
flat angles C4'-P-C4' energy: -128.758
flat angles P-C4'-P energy: -85.217
tors. eta vs tors. theta energy: -174.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1945.690270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.690270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.690270 (E_RNA)
where:
Base-Base interactions energy: -1353.318
where: short stacking energy: -572.752
Base-Backbone interact. energy: -3.396
local terms energy: -588.976078
where:
bonds (distance) C4'-P energy: -101.579
bonds (distance) P-C4' energy: -107.154
flat angles C4'-P-C4' energy: -131.833
flat angles P-C4'-P energy: -70.764
tors. eta vs tors. theta energy: -177.646
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: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1794.293366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.293366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.293366 (E_RNA)
where:
Base-Base interactions energy: -1225.192
where: short stacking energy: -511.987
Base-Backbone interact. energy: -3.223
local terms energy: -565.879138
where:
bonds (distance) C4'-P energy: -107.252
bonds (distance) P-C4' energy: -107.210
flat angles C4'-P-C4' energy: -127.365
flat angles P-C4'-P energy: -79.337
tors. eta vs tors. theta energy: -144.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1664.489455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.489455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.489455 (E_RNA)
where:
Base-Base interactions energy: -1093.184
where: short stacking energy: -478.163
Base-Backbone interact. energy: -2.709
local terms energy: -568.596696
where:
bonds (distance) C4'-P energy: -105.417
bonds (distance) P-C4' energy: -111.896
flat angles C4'-P-C4' energy: -120.096
flat angles P-C4'-P energy: -83.674
tors. eta vs tors. theta energy: -147.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1531.971078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.971078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.971078 (E_RNA)
where:
Base-Base interactions energy: -1033.784
where: short stacking energy: -453.059
Base-Backbone interact. energy: 0.009
local terms energy: -498.195934
where:
bonds (distance) C4'-P energy: -96.152
bonds (distance) P-C4' energy: -104.242
flat angles C4'-P-C4' energy: -119.544
flat angles P-C4'-P energy: -61.129
tors. eta vs tors. theta energy: -117.129
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: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1273.982963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.982963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.982963 (E_RNA)
where:
Base-Base interactions energy: -839.039
where: short stacking energy: -343.328
Base-Backbone interact. energy: 2.296
local terms energy: -437.240287
where:
bonds (distance) C4'-P energy: -93.957
bonds (distance) P-C4' energy: -108.602
flat angles C4'-P-C4' energy: -103.630
flat angles P-C4'-P energy: -61.744
tors. eta vs tors. theta energy: -69.307
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: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1046.041323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.041323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.041323 (E_RNA)
where:
Base-Base interactions energy: -646.318
where: short stacking energy: -306.765
Base-Backbone interact. energy: 2.970
local terms energy: -402.693411
where:
bonds (distance) C4'-P energy: -92.872
bonds (distance) P-C4' energy: -115.744
flat angles C4'-P-C4' energy: -79.333
flat angles P-C4'-P energy: -56.916
tors. eta vs tors. theta energy: -57.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -530.566879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.566879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.566879 (E_RNA)
where:
Base-Base interactions energy: -231.277
where: short stacking energy: -148.655
Base-Backbone interact. energy: -2.163
local terms energy: -297.126272
where:
bonds (distance) C4'-P energy: -87.336
bonds (distance) P-C4' energy: -84.175
flat angles C4'-P-C4' energy: -88.429
flat angles P-C4'-P energy: -57.706
tors. eta vs tors. theta energy: 20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -441.739398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.739398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.739398 (E_RNA)
where:
Base-Base interactions energy: -144.119
where: short stacking energy: -114.022
Base-Backbone interact. energy: -0.328
local terms energy: -297.291964
where:
bonds (distance) C4'-P energy: -91.959
bonds (distance) P-C4' energy: -102.667
flat angles C4'-P-C4' energy: -89.224
flat angles P-C4'-P energy: -44.079
tors. eta vs tors. theta energy: 30.636
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: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2109.962742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.962742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.962742 (E_RNA)
where:
Base-Base interactions energy: -1464.710
where: short stacking energy: -577.389
Base-Backbone interact. energy: -2.777
local terms energy: -642.475883
where:
bonds (distance) C4'-P energy: -120.162
bonds (distance) P-C4' energy: -123.674
flat angles C4'-P-C4' energy: -130.548
flat angles P-C4'-P energy: -87.434
tors. eta vs tors. theta energy: -180.658
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: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2048.765321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.765321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.765321 (E_RNA)
where:
Base-Base interactions energy: -1397.805
where: short stacking energy: -595.529
Base-Backbone interact. energy: -2.358
local terms energy: -648.602604
where:
bonds (distance) C4'-P energy: -116.326
bonds (distance) P-C4' energy: -122.237
flat angles C4'-P-C4' energy: -124.415
flat angles P-C4'-P energy: -93.205
tors. eta vs tors. theta energy: -192.420
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: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1953.033976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.033976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.033976 (E_RNA)
where:
Base-Base interactions energy: -1323.361
where: short stacking energy: -562.689
Base-Backbone interact. energy: -1.531
local terms energy: -628.141731
where:
bonds (distance) C4'-P energy: -111.394
bonds (distance) P-C4' energy: -119.559
flat angles C4'-P-C4' energy: -126.677
flat angles P-C4'-P energy: -98.959
tors. eta vs tors. theta energy: -171.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1789.518313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.518313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.518313 (E_RNA)
where:
Base-Base interactions energy: -1241.402
where: short stacking energy: -538.801
Base-Backbone interact. energy: -2.198
local terms energy: -545.918092
where:
bonds (distance) C4'-P energy: -98.801
bonds (distance) P-C4' energy: -97.565
flat angles C4'-P-C4' energy: -120.638
flat angles P-C4'-P energy: -77.108
tors. eta vs tors. theta energy: -151.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1595.985036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.985036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.985036 (E_RNA)
where:
Base-Base interactions energy: -1062.319
where: short stacking energy: -472.261
Base-Backbone interact. energy: -2.865
local terms energy: -530.801118
where:
bonds (distance) C4'-P energy: -99.692
bonds (distance) P-C4' energy: -109.750
flat angles C4'-P-C4' energy: -123.120
flat angles P-C4'-P energy: -69.522
tors. eta vs tors. theta energy: -128.716
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: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1573.952272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.952272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.952272 (E_RNA)
where:
Base-Base interactions energy: -1064.574
where: short stacking energy: -472.909
Base-Backbone interact. energy: -0.483
local terms energy: -508.895283
where:
bonds (distance) C4'-P energy: -87.625
bonds (distance) P-C4' energy: -117.095
flat angles C4'-P-C4' energy: -111.633
flat angles P-C4'-P energy: -64.371
tors. eta vs tors. theta energy: -128.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1305.385275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.385275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.385275 (E_RNA)
where:
Base-Base interactions energy: -849.800
where: short stacking energy: -373.917
Base-Backbone interact. energy: 0.720
local terms energy: -456.305144
where:
bonds (distance) C4'-P energy: -104.594
bonds (distance) P-C4' energy: -119.201
flat angles C4'-P-C4' energy: -104.208
flat angles P-C4'-P energy: -51.775
tors. eta vs tors. theta energy: -76.528
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: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1073.688724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.688724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.688724 (E_RNA)
where:
Base-Base interactions energy: -654.296
where: short stacking energy: -309.454
Base-Backbone interact. energy: -1.439
local terms energy: -417.954230
where:
bonds (distance) C4'-P energy: -103.399
bonds (distance) P-C4' energy: -90.521
flat angles C4'-P-C4' energy: -98.152
flat angles P-C4'-P energy: -70.954
tors. eta vs tors. theta energy: -54.929
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: 462
Temperature: 1.300000
Total energy: -549.685382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.685382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.685382 (E_RNA)
where:
Base-Base interactions energy: -215.696
where: short stacking energy: -140.428
Base-Backbone interact. energy: 2.878
local terms energy: -336.867519
where:
bonds (distance) C4'-P energy: -97.159
bonds (distance) P-C4' energy: -105.938
flat angles C4'-P-C4' energy: -97.074
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: 11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -429.895737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.895737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.895737 (E_RNA)
where:
Base-Base interactions energy: -147.187
where: short stacking energy: -102.215
Base-Backbone interact. energy: -2.181
local terms energy: -280.527352
where:
bonds (distance) C4'-P energy: -100.029
bonds (distance) P-C4' energy: -105.908
flat angles C4'-P-C4' energy: -78.157
flat angles P-C4'-P energy: -34.050
tors. eta vs tors. theta energy: 37.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2078.730003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.730003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.730003 (E_RNA)
where:
Base-Base interactions energy: -1445.274
where: short stacking energy: -573.368
Base-Backbone interact. energy: -2.031
local terms energy: -631.425226
where:
bonds (distance) C4'-P energy: -112.727
bonds (distance) P-C4' energy: -124.311
flat angles C4'-P-C4' energy: -133.135
flat angles P-C4'-P energy: -92.662
tors. eta vs tors. theta energy: -168.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2034.693538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.693538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.693538 (E_RNA)
where:
Base-Base interactions energy: -1417.164
where: short stacking energy: -582.385
Base-Backbone interact. energy: -2.040
local terms energy: -615.489565
where:
bonds (distance) C4'-P energy: -114.865
bonds (distance) P-C4' energy: -110.077
flat angles C4'-P-C4' energy: -123.831
flat angles P-C4'-P energy: -83.173
tors. eta vs tors. theta energy: -183.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1919.731867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.731867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.731867 (E_RNA)
where:
Base-Base interactions energy: -1298.050
where: short stacking energy: -538.635
Base-Backbone interact. energy: -2.899
local terms energy: -618.783094
where:
bonds (distance) C4'-P energy: -105.236
bonds (distance) P-C4' energy: -107.728
flat angles C4'-P-C4' energy: -135.167
flat angles P-C4'-P energy: -102.314
tors. eta vs tors. theta energy: -168.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1821.858476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.858476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.858476 (E_RNA)
where:
Base-Base interactions energy: -1258.940
where: short stacking energy: -515.299
Base-Backbone interact. energy: -1.870
local terms energy: -561.048398
where:
bonds (distance) C4'-P energy: -93.005
bonds (distance) P-C4' energy: -122.650
flat angles C4'-P-C4' energy: -121.697
flat angles P-C4'-P energy: -75.836
tors. eta vs tors. theta energy: -147.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1624.046936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.046936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.046936 (E_RNA)
where:
Base-Base interactions energy: -1068.808
where: short stacking energy: -471.527
Base-Backbone interact. energy: 0.126
local terms energy: -555.364357
where:
bonds (distance) C4'-P energy: -115.119
bonds (distance) P-C4' energy: -102.438
flat angles C4'-P-C4' energy: -125.267
flat angles P-C4'-P energy: -73.162
tors. eta vs tors. theta energy: -139.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1514.751134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.751134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.751134 (E_RNA)
where:
Base-Base interactions energy: -1011.211
where: short stacking energy: -430.921
Base-Backbone interact. energy: -2.904
local terms energy: -500.636180
where:
bonds (distance) C4'-P energy: -97.081
bonds (distance) P-C4' energy: -111.090
flat angles C4'-P-C4' energy: -108.317
flat angles P-C4'-P energy: -62.630
tors. eta vs tors. theta energy: -121.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1313.051740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.051740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.051740 (E_RNA)
where:
Base-Base interactions energy: -851.822
where: short stacking energy: -381.945
Base-Backbone interact. energy: 1.101
local terms energy: -462.330179
where:
bonds (distance) C4'-P energy: -96.966
bonds (distance) P-C4' energy: -105.237
flat angles C4'-P-C4' energy: -100.301
flat angles P-C4'-P energy: -61.556
tors. eta vs tors. theta energy: -98.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1024.975133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.975133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.975133 (E_RNA)
where:
Base-Base interactions energy: -598.814
where: short stacking energy: -265.442
Base-Backbone interact. energy: -0.707
local terms energy: -425.453351
where:
bonds (distance) C4'-P energy: -101.268
bonds (distance) P-C4' energy: -102.405
flat angles C4'-P-C4' energy: -101.501
flat angles P-C4'-P energy: -68.348
tors. eta vs tors. theta energy: -51.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -481.661811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.661811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.661811 (E_RNA)
where:
Base-Base interactions energy: -187.152
where: short stacking energy: -116.098
Base-Backbone interact. energy: -1.456
local terms energy: -293.054134
where:
bonds (distance) C4'-P energy: -96.398
bonds (distance) P-C4' energy: -91.538
flat angles C4'-P-C4' energy: -90.746
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: 28.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -453.573019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.573019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.573019 (E_RNA)
where:
Base-Base interactions energy: -153.045
where: short stacking energy: -124.134
Base-Backbone interact. energy: 1.887
local terms energy: -302.414840
where:
bonds (distance) C4'-P energy: -82.886
bonds (distance) P-C4' energy: -99.774
flat angles C4'-P-C4' energy: -96.346
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: 10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2079.611061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.611061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.611061 (E_RNA)
where:
Base-Base interactions energy: -1470.193
where: short stacking energy: -582.547
Base-Backbone interact. energy: -2.358
local terms energy: -607.060450
where:
bonds (distance) C4'-P energy: -104.747
bonds (distance) P-C4' energy: -109.098
flat angles C4'-P-C4' energy: -138.976
flat angles P-C4'-P energy: -84.083
tors. eta vs tors. theta energy: -170.156
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: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2032.082836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.082836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.082836 (E_RNA)
where:
Base-Base interactions energy: -1427.158
where: short stacking energy: -590.138
Base-Backbone interact. energy: -2.693
local terms energy: -602.231657
where:
bonds (distance) C4'-P energy: -120.224
bonds (distance) P-C4' energy: -121.827
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -68.575
tors. eta vs tors. theta energy: -185.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1951.780687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.780687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.780687 (E_RNA)
where:
Base-Base interactions energy: -1329.711
where: short stacking energy: -575.508
Base-Backbone interact. energy: -1.126
local terms energy: -620.944050
where:
bonds (distance) C4'-P energy: -122.335
bonds (distance) P-C4' energy: -115.707
flat angles C4'-P-C4' energy: -127.316
flat angles P-C4'-P energy: -83.076
tors. eta vs tors. theta energy: -172.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1828.618665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.618665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.618665 (E_RNA)
where:
Base-Base interactions energy: -1264.189
where: short stacking energy: -545.932
Base-Backbone interact. energy: -1.841
local terms energy: -562.588960
where:
bonds (distance) C4'-P energy: -97.598
bonds (distance) P-C4' energy: -110.586
flat angles C4'-P-C4' energy: -115.793
flat angles P-C4'-P energy: -77.540
tors. eta vs tors. theta energy: -161.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1654.211259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.211259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.211259 (E_RNA)
where:
Base-Base interactions energy: -1118.334
where: short stacking energy: -508.374
Base-Backbone interact. energy: 2.622
local terms energy: -538.499162
where:
bonds (distance) C4'-P energy: -104.149
bonds (distance) P-C4' energy: -101.554
flat angles C4'-P-C4' energy: -119.358
flat angles P-C4'-P energy: -75.345
tors. eta vs tors. theta energy: -138.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1460.764859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.764859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.764859 (E_RNA)
where:
Base-Base interactions energy: -942.348
where: short stacking energy: -413.443
Base-Backbone interact. energy: -0.410
local terms energy: -518.007068
where:
bonds (distance) C4'-P energy: -111.730
bonds (distance) P-C4' energy: -106.713
flat angles C4'-P-C4' energy: -116.863
flat angles P-C4'-P energy: -78.460
tors. eta vs tors. theta energy: -104.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1345.248354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.248354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.248354 (E_RNA)
where:
Base-Base interactions energy: -868.994
where: short stacking energy: -371.664
Base-Backbone interact. energy: -1.513
local terms energy: -474.741307
where:
bonds (distance) C4'-P energy: -104.489
bonds (distance) P-C4' energy: -105.504
flat angles C4'-P-C4' energy: -108.885
flat angles P-C4'-P energy: -60.950
tors. eta vs tors. theta energy: -94.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1033.029433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.029433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.029433 (E_RNA)
where:
Base-Base interactions energy: -637.126
where: short stacking energy: -292.095
Base-Backbone interact. energy: 1.376
local terms energy: -397.279783
where:
bonds (distance) C4'-P energy: -86.290
bonds (distance) P-C4' energy: -95.884
flat angles C4'-P-C4' energy: -110.579
flat angles P-C4'-P energy: -55.996
tors. eta vs tors. theta energy: -48.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -515.554097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.554097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.554097 (E_RNA)
where:
Base-Base interactions energy: -195.575
where: short stacking energy: -142.231
Base-Backbone interact. energy: 0.553
local terms energy: -320.531439
where:
bonds (distance) C4'-P energy: -97.418
bonds (distance) P-C4' energy: -103.472
flat angles C4'-P-C4' energy: -93.415
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: 5.730
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: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -480.855248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.855248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.855248 (E_RNA)
where:
Base-Base interactions energy: -181.152
where: short stacking energy: -131.376
Base-Backbone interact. energy: -4.140
local terms energy: -295.563741
where:
bonds (distance) C4'-P energy: -89.704
bonds (distance) P-C4' energy: -88.836
flat angles C4'-P-C4' energy: -74.297
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: 7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2110.040694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.040694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.040694 (E_RNA)
where:
Base-Base interactions energy: -1462.641
where: short stacking energy: -601.093
Base-Backbone interact. energy: -2.793
local terms energy: -644.606171
where:
bonds (distance) C4'-P energy: -118.130
bonds (distance) P-C4' energy: -114.225
flat angles C4'-P-C4' energy: -135.564
flat angles P-C4'-P energy: -90.545
tors. eta vs tors. theta energy: -186.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2054.332298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.332298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.332298 (E_RNA)
where:
Base-Base interactions energy: -1408.325
where: short stacking energy: -582.147
Base-Backbone interact. energy: -2.483
local terms energy: -643.524208
where:
bonds (distance) C4'-P energy: -120.588
bonds (distance) P-C4' energy: -129.703
flat angles C4'-P-C4' energy: -125.112
flat angles P-C4'-P energy: -78.643
tors. eta vs tors. theta energy: -189.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1918.320279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.320279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.320279 (E_RNA)
where:
Base-Base interactions energy: -1304.107
where: short stacking energy: -577.075
Base-Backbone interact. energy: -3.742
local terms energy: -610.471279
where:
bonds (distance) C4'-P energy: -106.303
bonds (distance) P-C4' energy: -109.339
flat angles C4'-P-C4' energy: -130.183
flat angles P-C4'-P energy: -82.074
tors. eta vs tors. theta energy: -182.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1898.871188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.871188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.871188 (E_RNA)
where:
Base-Base interactions energy: -1333.816
where: short stacking energy: -534.560
Base-Backbone interact. energy: -1.358
local terms energy: -563.697228
where:
bonds (distance) C4'-P energy: -96.772
bonds (distance) P-C4' energy: -94.196
flat angles C4'-P-C4' energy: -120.953
flat angles P-C4'-P energy: -88.481
tors. eta vs tors. theta energy: -163.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1678.490203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.490203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.490203 (E_RNA)
where:
Base-Base interactions energy: -1132.525
where: short stacking energy: -495.229
Base-Backbone interact. energy: 1.216
local terms energy: -547.181944
where:
bonds (distance) C4'-P energy: -103.787
bonds (distance) P-C4' energy: -97.555
flat angles C4'-P-C4' energy: -122.457
flat angles P-C4'-P energy: -75.029
tors. eta vs tors. theta energy: -148.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1484.567306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.567306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.567306 (E_RNA)
where:
Base-Base interactions energy: -1020.694
where: short stacking energy: -431.583
Base-Backbone interact. energy: -3.633
local terms energy: -460.239980
where:
bonds (distance) C4'-P energy: -85.487
bonds (distance) P-C4' energy: -103.738
flat angles C4'-P-C4' energy: -113.887
flat angles P-C4'-P energy: -59.236
tors. eta vs tors. theta energy: -97.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1324.366917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.366917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.366917 (E_RNA)
where:
Base-Base interactions energy: -870.335
where: short stacking energy: -400.222
Base-Backbone interact. energy: 1.075
local terms energy: -455.106270
where:
bonds (distance) C4'-P energy: -102.244
bonds (distance) P-C4' energy: -87.702
flat angles C4'-P-C4' energy: -103.659
flat angles P-C4'-P energy: -67.828
tors. eta vs tors. theta energy: -93.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -982.830866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.830866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.830866 (E_RNA)
where:
Base-Base interactions energy: -602.285
where: short stacking energy: -275.896
Base-Backbone interact. energy: 4.800
local terms energy: -385.345557
where:
bonds (distance) C4'-P energy: -88.927
bonds (distance) P-C4' energy: -112.521
flat angles C4'-P-C4' energy: -93.301
flat angles P-C4'-P energy: -50.221
tors. eta vs tors. theta energy: -40.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -492.678006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.678006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.678006 (E_RNA)
where:
Base-Base interactions energy: -163.261
where: short stacking energy: -125.883
Base-Backbone interact. energy: 6.972
local terms energy: -336.388424
where:
bonds (distance) C4'-P energy: -98.731
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -91.369
flat angles P-C4'-P energy: -52.867
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -476.648028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.648028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.648028 (E_RNA)
where:
Base-Base interactions energy: -197.414
where: short stacking energy: -116.751
Base-Backbone interact. energy: 5.228
local terms energy: -284.462593
where:
bonds (distance) C4'-P energy: -102.910
bonds (distance) P-C4' energy: -91.879
flat angles C4'-P-C4' energy: -73.324
flat angles P-C4'-P energy: -43.263
tors. eta vs tors. theta energy: 26.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2105.428945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.428945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.428945 (E_RNA)
where:
Base-Base interactions energy: -1451.356
where: short stacking energy: -608.103
Base-Backbone interact. energy: -3.804
local terms energy: -650.269217
where:
bonds (distance) C4'-P energy: -119.944
bonds (distance) P-C4' energy: -124.477
flat angles C4'-P-C4' energy: -135.189
flat angles P-C4'-P energy: -98.227
tors. eta vs tors. theta energy: -172.433
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: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2030.628215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.628215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.628215 (E_RNA)
where:
Base-Base interactions energy: -1418.610
where: short stacking energy: -591.434
Base-Backbone interact. energy: -2.159
local terms energy: -609.859293
where:
bonds (distance) C4'-P energy: -103.659
bonds (distance) P-C4' energy: -116.329
flat angles C4'-P-C4' energy: -125.356
flat angles P-C4'-P energy: -88.348
tors. eta vs tors. theta energy: -176.167
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: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1980.960281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.960281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.960281 (E_RNA)
where:
Base-Base interactions energy: -1378.818
where: short stacking energy: -591.451
Base-Backbone interact. energy: -2.930
local terms energy: -599.212047
where:
bonds (distance) C4'-P energy: -96.986
bonds (distance) P-C4' energy: -115.610
flat angles C4'-P-C4' energy: -138.252
flat angles P-C4'-P energy: -64.455
tors. eta vs tors. theta energy: -183.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1841.635951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.635951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.635951 (E_RNA)
where:
Base-Base interactions energy: -1266.679
where: short stacking energy: -556.897
Base-Backbone interact. energy: -1.602
local terms energy: -573.355413
where:
bonds (distance) C4'-P energy: -110.941
bonds (distance) P-C4' energy: -100.346
flat angles C4'-P-C4' energy: -134.875
flat angles P-C4'-P energy: -65.089
tors. eta vs tors. theta energy: -162.104
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: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1672.729970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.729970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.729970 (E_RNA)
where:
Base-Base interactions energy: -1114.107
where: short stacking energy: -489.949
Base-Backbone interact. energy: -2.321
local terms energy: -556.301911
where:
bonds (distance) C4'-P energy: -108.285
bonds (distance) P-C4' energy: -109.738
flat angles C4'-P-C4' energy: -113.020
flat angles P-C4'-P energy: -83.646
tors. eta vs tors. theta energy: -141.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1453.386852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.386852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.386852 (E_RNA)
where:
Base-Base interactions energy: -959.233
where: short stacking energy: -399.418
Base-Backbone interact. energy: 1.413
local terms energy: -495.567480
where:
bonds (distance) C4'-P energy: -89.926
bonds (distance) P-C4' energy: -115.046
flat angles C4'-P-C4' energy: -119.789
flat angles P-C4'-P energy: -71.257
tors. eta vs tors. theta energy: -99.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1316.249989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.249989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.249989 (E_RNA)
where:
Base-Base interactions energy: -849.758
where: short stacking energy: -374.197
Base-Backbone interact. energy: 1.973
local terms energy: -468.464541
where:
bonds (distance) C4'-P energy: -106.499
bonds (distance) P-C4' energy: -111.579
flat angles C4'-P-C4' energy: -85.483
flat angles P-C4'-P energy: -78.587
tors. eta vs tors. theta energy: -86.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1007.979099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.979099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.979099 (E_RNA)
where:
Base-Base interactions energy: -647.148
where: short stacking energy: -305.218
Base-Backbone interact. energy: -0.193
local terms energy: -360.637502
where:
bonds (distance) C4'-P energy: -94.316
bonds (distance) P-C4' energy: -81.931
flat angles C4'-P-C4' energy: -77.845
flat angles P-C4'-P energy: -53.168
tors. eta vs tors. theta energy: -53.378
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: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -520.874972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.874972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.874972 (E_RNA)
where:
Base-Base interactions energy: -192.353
where: short stacking energy: -123.056
Base-Backbone interact. energy: 2.570
local terms energy: -331.092569
where:
bonds (distance) C4'-P energy: -98.855
bonds (distance) P-C4' energy: -108.502
flat angles C4'-P-C4' energy: -85.155
flat angles P-C4'-P energy: -61.082
tors. eta vs tors. theta energy: 22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -449.909775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.909775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.909775 (E_RNA)
where:
Base-Base interactions energy: -165.155
where: short stacking energy: -148.287
Base-Backbone interact. energy: -0.989
local terms energy: -283.766005
where:
bonds (distance) C4'-P energy: -89.756
bonds (distance) P-C4' energy: -101.862
flat angles C4'-P-C4' energy: -70.301
flat angles P-C4'-P energy: -43.763
tors. eta vs tors. theta energy: 21.915
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)